64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.44455782 stress="-0.014448727980090621 0.003899576469216196 -0.004502597014802228 0.003899576469216196 -0.012963850614440324 0.007364249594472675 -0.004502597014802228 0.007364249594472675 -0.025804164986102888" free_energy=-223.44455782 pbc="T T T" config_type=melt 
Li       3.98611001       8.68982996       4.32242005       0.96743997       0.09547796      -1.05203906
Li       2.81080004       8.64321000       1.11818002       0.07528658      -0.37321903       0.28638361
Li       9.16177998       2.45642997      10.57490004      -0.44294214       1.31960371      -0.91585731
Li       6.39581994       1.20201005       5.70060995       0.11759427       0.17388469      -0.41802110
Li       5.53553005       6.42104996      10.33399998      -2.02766271       4.57961741      -3.26669378
Li       1.49449995      10.76229998       9.91268998      -0.04608075       0.75480256      -0.20591654
Li       3.55422994       4.63836002       2.08018995       0.38211151      -0.35937448       0.05753010
Li       5.93566002       9.96724000       0.73618803      -0.29339408      -0.04188170       0.67486043
Li       8.89098004      10.01180005       4.05672998      -0.45830486       0.73605208      -0.09695481
Li       4.33752998       2.46793999       8.64971002       1.19638459       0.24234618      -0.10903722
Li       6.37629994       3.15141997       0.60013695      -0.10865237      -0.70712782       0.26826123
Li       4.65445003       0.64135597       2.53738006      -0.63493671      -0.30854440      -0.91860160
Li       9.42011996       4.68923999       7.12506005      -0.79875889       1.18071504      -1.18134696
Li       8.57739999       1.09915001       2.63661005      -0.82103517      -1.29841313      -2.52678306
Li       5.81636995       4.01816998       3.94870997       3.19293019       0.20057357      -0.76884899
Li       8.92674997       8.37005003       7.50441996      -0.52514665      -0.11364747      -0.47918571
Li       0.52390304       4.72556995       1.08306998       0.83600824      -1.46302172      -0.48446462
Li       0.35255596       7.62054004       2.77573998       0.66023133      -0.53019365      -0.44766353
Li       0.69415895       9.96148000       5.95926004       0.20606539      -0.01339826      -0.05043487
Li       2.20819999       2.85545995       5.16734999       0.17962759      -0.39398150      -0.13450527
Li      10.76210004       1.53215999       5.58522002      -1.14059325       0.77279488      -0.31515059
Li       8.47465998      11.42000000       8.37498001       0.18224568       0.60425133       0.33323262
Li       0.78049702      10.89629999       2.33009005       0.87584167      -0.14043074       0.14030216
Li       7.14706000       6.85931999       3.40960003      -0.17513172       0.47055027       0.36667365
Li       3.09411003       5.83569998       5.80223002       0.54299218       0.43468742      -0.43212767
Li       5.65759001       8.55946997       6.94552002      -0.12764416      -0.04262747      -0.72706609
Li       0.09430173       7.64584997       9.34796000      -0.23702318      -0.06874077      -0.33980129
Li       0.90087998       3.44712995       8.40936001      -0.64919146      -0.66256237       0.60937560
Li       2.54571000       2.21593998      11.25790001      -1.90639561       0.55432943      -1.75996510
Li       9.71157005       3.83931002       3.24730996      -0.16224482       0.00809018      -0.10262638
Li       9.18990999      10.93649994      11.40739995      -0.45293397      -0.55180563       0.35966262
Li       8.50025995       6.73160997      11.34069997      -0.01993354      -0.35775224       0.25767553
Cl       6.35781998       6.96852001       5.54952002       0.32807649       0.18659582       0.05508331
Cl       2.63286994       1.41647004       9.10447004      -0.83735342      -0.86412767       0.39392969
Cl       1.42967002       4.31584002      10.44530002       0.14420342      -0.29331064       0.28049434
Cl       6.99419002       5.12583004       2.20490000       1.28204178      -1.28301209       2.82432921
Cl       1.10441005       1.05543006       6.22750001       0.90780435      -1.29534870       0.51280510
Cl       3.99614997       4.09957004       4.26940005      -3.27135859       0.92537910       0.29987949
Cl       3.96515996       0.93040303       4.35039003      -0.55195119       0.15182149       2.53945465
Cl       2.99899996      10.83329999       1.30494002      -0.27969886      -0.61477717      -0.74287418
Cl       3.95576005       1.94963003       1.04671996       2.39350593       2.49453356       0.77842301
Cl      10.46989996       9.65782000       8.18207997       1.34107347       0.53973580       0.40348194
Cl       1.35423998       8.77786004      10.72089994       0.05699614      -0.49988939       0.35148171
Cl      10.35100002       8.44880000       3.98485995      -0.82362827      -0.37872808       1.07555198
Cl       3.08387002       8.10017996       6.08913005      -0.14381320      -0.30585846       1.68155571
Cl       8.07768005      10.43690003       6.47105004      -1.10509503      -0.35445892      -0.57715813
Cl       6.50091002      11.38350002       2.83599004       1.52891908      -1.19003446      -0.14015829
Cl       5.54897994       7.96439003       2.22486000      -1.39267665       0.59563340       0.19229414
Cl       7.23181004       3.51451997       5.41940996       0.30465794      -0.09080840       0.83810348
Cl       8.17793002       1.73660995       0.82320605      -1.27145728       1.32963995      -1.07266338
Cl       5.27712002       8.37908996       8.96063998       0.02833505      -0.28706875       1.25415035
Cl       0.48603400       3.31605998       3.70495003      -0.74633356       0.15809815      -0.44105486
Cl      10.20820003       5.52825000       0.96362605      -2.09959063       0.75387230       0.02642164
Cl       9.87724002       6.49388001       8.22168998      -0.02454521       0.00685688       0.43020500
Cl       7.68272998       8.77918003       0.19705997       1.15479539       0.40238898      -0.80886654
Cl       2.02969003       4.41942002       6.93432997       0.07341501      -0.00038452      -0.00346209
Cl       6.60946001       1.68357000       9.10241002      -0.19142893      -0.19724521      -0.22478479
Cl      10.13980000      10.99130001       1.91790000       0.22697853      -0.47939162       0.36735279
Cl       9.72481003       3.05733996       8.11384997       0.79280464      -1.72019129       0.77373586
Cl       6.14070005       5.11015000      11.30630002       0.74041770      -3.41955583      -0.61973560
Cl       1.91232996       6.00799000       1.81374002       0.92971338       1.52899100       0.61059304
Cl       8.97152004       1.24083005       4.38424004       1.32705848       0.41259310       4.05537491
Cl      10.41360003       0.89936395      10.42270003       1.86212202      -1.25057850      -1.02870652
Cl       1.98125998       9.07354996       3.56339002      -1.07074114       0.33757583      -0.70610293
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.53534475 stress="-0.022270740969983327 0.0016599502111521512 -0.004431215153080332 0.0016599502111521512 -0.02678577102103224 0.0018383467663691925 -0.004431215153080332 0.0018383467663691925 -0.008615862596414189" free_energy=-220.53534475 pbc="T T T" config_type=melt 
Li      10.59259997      10.16370005       3.17897001       1.43765604      -1.19497938      -0.44303344
Li       8.36940998       2.57349999       9.90010002       0.66788148       0.27994946       0.03992046
Li       9.58409998       9.52495003       7.39172001       2.05558179      -3.27219525      -0.19224437
Li       7.39849998       9.26768000       4.05544001       0.32101436       0.41353041       0.19630241
Li       6.16651004       8.53812004      10.46439997      -0.33630683       0.14483169       1.80395091
Li       2.67833005       5.33529998       5.84530006      -0.11406204       0.20454821      -0.67137861
Li       2.11093005       9.84533997       0.63289200       1.32827134       0.85264864      -1.21746162
Li       4.98727000       5.01654003      10.94339995      -0.79204859       0.17774283      -0.38881037
Li      10.64329995       2.46700004       3.02752996      -0.09684706      -0.31304396      -0.19782520
Li       5.19508002       1.39255005       3.86059999       0.44974416       0.46228771      -0.12735076
Li       4.20228002       9.80949002       4.25300006      -0.14280806       0.67805317       0.02650977
Li       1.59883005       4.68514999      10.13710005      -5.46962531      -0.23510956      -4.33042720
Li       1.29189000       8.06248999       8.80013995      -0.46480464       0.99022908       0.95293026
Li       1.44616001       8.15976005       5.50342995       0.80601108       2.05781859       0.25771149
Li       2.70006002       3.52580999       1.97277997      -0.29097945      -0.02298762      -0.45234770
Li       9.81962995       6.57385999      10.05829998      -1.64366978      -6.12413964       2.59673051
Li       3.74229997       3.22207994       7.62820999      -0.08422898      -0.45526325       0.29660938
Li       0.24659999       6.85901997       1.95826997      -0.22109750      -0.31030016       0.02202266
Li       6.82638001      11.21420000       9.15117999      -0.16632252       0.04946105      -0.13080323
Li       5.36654003       7.68166999       6.88495996      -0.33247033       0.24322746       0.48414064
Li      10.05880005      10.51509995      11.17059997       1.01618135      -0.14284736      -0.34820997
Li       0.30409003       2.85237995       7.19630000       0.09107974      -0.23730486       0.13799071
Li       6.44957997       5.19799000       5.27228003      -0.30681097      -1.06925713       0.24637213
Li       4.62241997       1.10416998       0.12793300      -0.18591823      -0.38141598      -0.25766107
Li       1.88751003       1.04894999       4.59488002      -0.55772082       0.04518932      -2.26066630
Li       0.37111996       1.66519001      11.42259998      -0.72773843      -0.22306382      -2.48154269
Li       9.85342997       5.73406994       5.75853002       0.15473299       0.08796455      -0.20256298
Li       2.41600004      11.21649997       8.86400000       0.06939378       0.24133438      -0.14464878
Li       7.71688001       0.84428301       1.59558005       0.34252192      -0.08513229      -0.70640528
Li       8.19173003       4.68787001       1.58667998      -0.29881422      -0.18709905      -0.30662834
Li       4.40633996       6.47181998       2.53828998       1.26163054      -0.37905290      -1.62681942
Li       7.97860001       1.30515005       5.54064002       0.22703624      -0.34505424      -0.11686437
Cl       4.27099003       3.68201001       3.38911003       0.45672693       0.39740027       0.54877794
Cl       6.87716001       4.53479000      11.10429998       2.95975833       1.34973384       0.76796943
Cl       0.71953101       8.98547001       1.80331005      -0.95568054      -0.32932610       0.95726745
Cl       9.23514002       0.08480885       3.19168000      -0.42060773      -0.04509597       0.33301119
Cl       2.53727997       8.98494002       7.48799004       1.05575608       0.66949839      -1.45224363
Cl       6.29411000      11.30880003       5.23514000      -0.88817654      -0.64263394      -0.14174831
Cl       3.85808003       0.30651988       2.33603004      -0.02123347      -0.44966497       0.47896297
Cl       4.06084003      10.63009998      10.33960005       0.48825822       0.05318623       0.42858524
Cl       9.62332994       1.57071001       0.32672900       0.95101166       1.40429223       0.51667789
Cl       7.90132996       6.47531005       4.35611002       0.85884717       0.24227294       0.17936872
Cl       5.51339998       8.45806005       3.41636005       1.99121569       0.49916114      -0.89349444
Cl       4.40673995       5.48775002       7.25099001       0.30827423      -0.26583598      -0.08303253
Cl       2.30123996       1.52538999       6.41633000       1.82658025      -0.39628529       2.83713782
Cl       5.07550999       7.02783997       0.11894603      -0.52211583       1.00648732       0.89730873
Cl       0.86570104      10.32330002      10.21300000      -0.64878641       0.24111432       0.42316478
Cl      10.50100003       3.23939995       8.99359004      -0.92122072       0.29598047      -0.36402595
Cl      10.14249996       5.67850005       0.71858004       0.28500643       0.00133930       0.61070438
Cl       3.30369002       7.08954004       4.03817997      -2.25256838      -0.12292580       1.73556334
Cl       8.68362996      11.09040011       7.59572997      -1.58124037       3.78240435       0.05660670
Cl       1.83380996       2.12100004       9.52754004       0.83379891      -0.04765461      -0.12089439
Cl       0.75958399       3.12543996       4.72470004      -1.42436013       0.61972256      -0.59309519
Cl       0.79051095       6.36695002       5.36253005      -2.32980069      -2.90052917       0.18527350
Cl       6.35740005       2.01598999      10.52599996      -1.47281319      -2.12002439      -0.78505713
Cl       0.66047804       6.17634994       8.83273003       1.07827189      -2.89858407      -0.44400223
Cl      10.91870004       9.15310003       4.98572003      -0.33155868       0.16808763       1.01109159
Cl       6.48649999       8.84153999       8.56398999       0.16267039      -0.26176785      -2.43987639
Cl       7.47346995       3.28572997       6.23383998      -0.13122962       0.96170288       0.65403809
Cl       8.06719000      10.97469996      10.96180001      -1.80687578      -2.14561969       0.28820617
Cl       7.53930003       2.30270005       3.21564000      -0.76514314       1.67882120      -0.40137292
Cl       1.09168000       1.98784002       1.72347005       0.78035174       0.19151590       2.02511418
Cl       2.92415999       4.61969996      11.20196808       4.55276601      -0.39767848       5.05043298
Cl      10.30800002       8.05598000       9.38459995      -0.11234579       7.51033524      -2.72391964
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.84293413 stress="-0.02492943439035857 0.0032226930058571485 0.0008546247537405085 0.0032226930058571485 -0.026079857412434414 0.002946293859688806 0.0008546247537405085 0.002946293859688806 -0.023539301316960023" free_energy=-219.84293413 pbc="T T T" config_type=melt 
Li       1.78846002       4.71148000       4.65068000       0.06640396       4.78343574      -0.09561050
Li       9.25325003      10.51990004       4.66111994       1.40601780       1.51090292       0.76737310
Li       1.69856000       1.27796996       6.35863005      -0.74733067       0.56778651      -0.05691978
Li       7.33369000       2.01357996       9.68218996      -1.84032421       1.80903537       1.45731253
Li      10.21410000       6.28273995       8.94646005      -1.23410347       0.71247036       0.48004106
Li       5.88555997       5.93949998       2.99028997       3.61775605       0.13450319       3.06205112
Li       1.72987996      10.07340004       5.07937001       0.33877275      -0.57351934       0.17247840
Li       9.56175002       9.44521000       8.78667997       2.18866411       2.38556531      -1.05327454
Li       7.67515003       9.94823005       1.62237998       3.22627818      -0.81005285       0.27635607
Li      10.08929996       1.00009003       9.98512004       1.45868917       1.82273404       1.23192776
Li       7.68452001       7.98304001       5.89705005      -0.81272123       0.45341891       0.58840050
Li       9.01951995       5.42119999       4.10777996       0.85450996      -0.08870396      -0.69516730
Li       1.68830005       2.01203997      10.93330003      -0.65325882      -2.64656497       0.04740742
Li       7.12964003       2.84788997       2.90383004       0.73825927      -0.12912881      -0.39712287
Li       5.03677998       3.91197005       0.28318503      -0.08964630      -0.03789929       0.09646874
Li       2.08030001       5.29726001       0.90224503      -0.04204921      -0.33762825      -0.04658822
Li       4.12353004       2.49342004       8.83620004      -1.57027861       1.10752529      -2.10192548
Li       9.38001997       4.93921999      11.45869997       0.08751972      -0.46509326       0.36903924
Li      11.13419996       8.25245999       1.99395002      -0.63940778       3.39767551       3.33952694
Li       5.00689994       0.25965299      11.29380005       0.00865516      -3.73020951       2.76512108
Li       3.55692004       8.96257000       0.93324399       0.67844415       0.02184698       2.86336986
Li      11.16750003       7.24105999       6.03669002       0.57544703      -0.03542850      -0.28714911
Li      11.18809997       3.12933002       7.94268001       2.55035861      -1.29910154      -2.75122310
Li       3.20728999      10.02610002       8.05800998       2.47312068       1.41279542       0.57860538
Li       6.19860005       4.84967995       7.08388999      -0.76736094       1.41857747      -0.62530588
Li       8.00580004       1.41654995       6.83372002       0.10453020      -0.04909470      -0.40714070
Li       2.48516003       5.82913003       8.47315999       0.20750766      -0.12574690       0.30327868
Li       2.98354003       1.62931002       2.48244002      -0.17252717       0.23825005      -0.11567104
Li       3.51575995       7.54797998       6.14983994       0.09834521       2.06023394      -0.34769457
Li       1.36769996       9.99388001      10.59159994       1.51597514      -0.55817573      -0.03385033
Li       5.42146000      10.93870005       4.13502998       0.28270700       0.02032115       0.12220312
Li       6.06874002       7.65384997       9.68295005       0.65186360       1.36941326      -0.40644459
Cl       5.91543004      10.46140000       1.59949005      -3.51983822       0.20405261      -0.01327751
Cl       0.21851399       5.54090003       7.85058000       2.07782392       0.28428370      -1.67916162
Cl       7.50664001       1.75198997       0.31028498       1.58782179       0.37275269       1.26054323
Cl       5.24613998       2.15452996       2.38538995      -2.35812537       0.61811578      -0.55715772
Cl       1.71267999       8.96239001       7.67435005      -2.67939250      -2.29257472      -0.90411480
Cl      11.34090002       9.60646003       4.00913006      -0.63798241       0.09564384      -0.56653867
Cl       2.74913998       8.08074995       4.07238995       0.35388596       0.22431217      -0.09271370
Cl       2.71312999      10.99300004       0.73595600      -0.42942134       2.02050934       1.36294030
Cl       4.55400998       5.90287000       1.81986000      -3.98030186      -0.26411983      -3.10651268
Cl       7.94355003       9.12664998       4.12278005      -1.21687584      -0.82823789      -1.79835345
Cl       8.53400998       0.79057698       8.98103998      -0.76377070      -3.38052248      -3.10359739
Cl      10.03979995       3.69494997       9.24710001      -3.28415033       1.04109923       4.08320935
Cl       4.98851995       1.79559998      10.36920002       0.12220492       2.45109377      -0.63851630
Cl       4.99220996       6.00547004       9.97687997      -0.42342474      -1.56762830      -0.16514525
Cl       5.51862001       9.06967996       6.79300004       0.07843504      -0.53056854       0.22771926
Cl       2.35251006       3.70664995      10.40920004       1.91340045       4.23834223      -2.56003545
Cl       7.53006005       5.86234996       5.52351995      -0.77574599      -0.67498786       0.14227081
Cl      10.21849999       0.78876804       6.31741000       0.34777317       0.22597782      -0.35213389
Cl       3.70279005       5.59837001       6.49270996       0.24930066      -1.89007337       0.38693048
Cl       0.05437680       6.88308005       0.90760103       0.89373357      -3.61271746      -3.39672830
Cl       3.26523000       8.87305002      10.53050003       0.48757835      -1.61429303      -3.68480243
Cl      11.07599994      10.84260004      10.50220000      -1.03039785      -1.02844829       0.57813963
Cl       8.26384998       8.55241004       9.77116000      -2.51166059      -2.07636797       2.61353566
Cl      11.26660002       5.87161998       4.14173005      -0.29580928       0.03124419       0.28521993
Cl       8.00699004       5.05475999       1.94763995       0.02152495      -0.02350783       0.26655010
Cl       1.76261999       2.93898995       4.73263000       0.09872039      -4.99529286       0.44700464
Cl       7.12776998       1.10522000       4.33466998       0.84703773      -0.44323337       1.30481104
Cl       9.52870997       8.32991003       6.99409005       0.56098381      -0.34041140      -0.35143538
Cl       1.42924996       2.90995001       1.32586004      -0.87491302      -0.09058420       2.53356512
Cl       3.27996000      11.37279995       6.23052004       0.90232847       0.03493329      -1.12203741
Cl       6.60586997       3.15495005       8.03026998      -0.13241100      -0.64193556      -0.45784764
Cl       1.67170997       1.30357004       8.63041002      -0.18914911       0.11300047      -0.04220299
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.78356494 stress="-0.018564999578603265 -0.0007939991905291944 0.0025185115408719364 -0.0007939991905291944 -0.01016946320304214 -0.0061116603393642525 0.0025185115408719364 -0.0061116603393642525 -0.005127339872116052" free_energy=-224.78356494 pbc="T T T" config_type=melt 
Li       3.37017001       8.05461002       8.81885997      -0.58461437      -0.58797130       0.26630911
Li       7.10983996       0.19494596       3.00382997      -2.36514514      -1.48112780       0.38168691
Li       8.79456005       2.31965996       1.03070000      -0.31795077       0.20638084       0.76557684
Li       4.98934996       4.54686005       7.58973002      -3.22625956      -1.78860666      -1.64052063
Li       0.13517395       2.55453005      10.04250002      -0.11743781      -0.03253300       0.24477307
Li       7.96674995       7.04787002       2.68850002       0.67816647      -0.09617247      -0.76221808
Li       0.47934895       6.20891996       7.04439004      -0.48241303      -0.00979036      -0.24683999
Li       1.92010997       8.87913996       4.88171998      -1.10071234       1.94553351      -0.98452238
Li      10.50870002       9.01680005       7.87177000      -0.56464201       0.07972833       0.73940438
Li       5.19531000      10.67459996       6.59469998       0.49193514      -0.15660231       0.78294611
Li       7.30995997       7.08754996       7.21419999      -0.92085310      -0.02623799      -0.86373551
Li       9.05769004       4.34323999       4.61615004       0.20790555       0.01390167      -0.32935063
Li       0.03308293       0.85230697       1.87950005       0.17526138       0.12358659       0.05000928
Li       9.26297999      10.48650001      11.32859999      -0.13330707      -0.34831759       0.27887758
Li       0.71438802       4.65586999       2.64005999       0.02608401      -0.51369137      -1.01667908
Li       4.78130997       8.51469004       3.21994002       0.69962088       0.82767804      -0.62777554
Li       2.57636996       5.30552002       5.44775998      -0.30498889       0.10199147      -0.03351790
Li       8.66925994       4.41130996       8.34988998       1.42937580       2.34462551       2.27662704
Li       5.60790004      10.70100002      10.72439999      -0.70288499       0.03870550      -0.33245312
Li       6.40893004       5.58420005      10.95099997      -0.33691218      -0.39582374      -0.51542128
Li       9.79423003       9.89892000       4.72956995       0.27688960       0.21830778      -0.25266068
Li       3.77445005       5.32254000       1.54143998       0.16803198      -0.53530964       0.22349157
Li       8.09188005       1.10817996       7.35910000      -0.70532639       1.68127342      -0.45483370
Li       5.69987005       2.32250001      10.88860000       0.21980241      -0.34724726      -1.42367625
Li       4.00713997       2.20797999       5.25303001       1.69001774      -0.24318048      -1.41720063
Li       1.50586999       8.44270995       1.16908005      -0.18735639       0.23038411      -0.20255194
Li       1.67526998       5.28196001      10.13809996       1.88736921       0.66449056       0.81057732
Li       3.99770005       0.94926796       2.26498005      -0.59263484      -0.22918017      -0.03080860
Li       1.91425000      10.59109999      10.13720002       1.46188321       0.57960797       0.72533548
Li       9.82052003       6.03123004      11.08600000       0.11076926      -0.16591886       0.29643374
Li       1.89583997       0.90679005       7.29174999       0.39944132      -1.16401103      -0.32208046
Li       6.11996999       4.29083998       3.24370994      -0.51229199      -1.25187573       0.76796772
Cl      11.31049996       4.94225000       9.48014005      -1.78507258      -0.86738462      -0.67214193
Cl       3.51815002       7.89638002       4.68523001       1.23183405      -2.31643334       0.27166343
Cl       1.74576005       2.42010001       1.74582998      -0.48670646      -0.17717336      -0.02314514
Cl       0.28939305       5.06913998       4.62763003      -0.41697410       0.40070612       1.80403980
Cl       9.47469005       5.00662996       1.98740999       0.63074019      -0.45597863      -0.00649435
Cl       7.87888003       3.25499997      10.73169998      -0.35960658       0.79254580      -0.44384461
Cl       4.91393999       9.45677998       8.86587005       0.54953293      -1.00967697      -0.46649458
Cl       6.47609994       5.69215000       1.71644004      -0.90936777       1.14472410      -0.50798572
Cl       5.17300005       2.58747999       1.37130995      -0.10803164       0.33993624       1.03773523
Cl       9.78202997       8.09656000       0.34127396      -0.76740745       0.57600828       0.43387044
Cl       6.01259004       9.94283003       4.56802999       2.05803291      -0.98686571      -0.98245042
Cl       7.77350002       3.16763997       7.33351001      -0.12539204      -2.57888139      -2.69238350
Cl       2.63009994       2.58451005       6.55925002      -1.30895828       2.77852627       1.47631919
Cl       3.82525000       5.57204000      10.76639995       1.47707953      -0.15261547      -0.95598002
Cl       1.00668004       0.69267903       9.15631002      -0.70282401       0.55487391      -0.25542618
Cl       3.82526994       0.03709199       5.27501999      -2.57648360      -0.14842549      -0.39258692
Cl      10.23569997       1.13775001      11.32990004       0.31615880      -0.40971855       0.21485412
Cl       1.69160004       6.04271003       1.12411004      -1.12547567       0.66344907       0.80151261
Cl       2.59033001       6.17324003       7.63379997       0.50109553      -0.20414252       0.09960366
Cl       3.67571004       4.18972995       3.99727003       0.83289409       0.50394531      -0.79181828
Cl       6.43467996       5.26585006       8.44197004       1.52729090       2.92578842       2.26948660
Cl       8.90188005       7.08976004       8.47263000       1.75684457       0.33757594       0.46090328
Cl       0.96824100       8.83662995      10.27670002      -0.17620113      -1.39569115      -0.61079992
Cl       6.29270001       1.97730996       4.86789004      -1.08031058       0.81414025       0.23935346
Cl       4.68761997       0.85590596       9.03389994       0.46924729       1.27418478       0.67794177
Cl       8.51764002      10.72699997       7.60552000       1.10001924      -2.68673042       0.04920626
Cl       3.52589999      10.17030003       0.89038099       0.04628987      -0.04044769       0.27583859
Cl       0.51845900       8.62755003       6.28216995      -1.57213294      -0.09667897       0.97023212
Cl       8.51589998       1.39988994       3.32118005       4.13622007       1.67407791      -0.36652297
Cl       0.19730496      10.18879994       2.77051995      -0.19605212      -0.33720839       0.54583571
Cl       7.91674001       6.43878004       4.73426996      -0.10963786      -0.13464771       1.15068737
Cl       7.04046994      11.11859995       0.89995699       0.40653170      -0.46437956      -0.76417887
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.40499903 stress="-0.024620648733660516 -0.00042458858852922795 -0.0028271928832279713 -0.00042458858852922795 -0.015471212960043713 0.0007964545939778078 -0.0028271928832279713 0.0007964545939778078 -0.0035602629547495145" free_energy=-223.40499903 pbc="T T T" config_type=melt 
Li       8.22379000       3.38710997       2.23735996      -0.01953686       0.22111164       0.45944877
Li       3.51940994       9.80593002       4.54218996      -0.14571422      -0.03888442      -0.58339957
Li       5.05348000       6.65211000       2.55011997       4.80620523       2.23227211       0.62894022
Li       8.14402005       9.08299997       1.40514998      -3.85449700       1.98333348       1.09163944
Li       6.50869002       1.10593995       4.19170995       2.35723956       1.26231707       0.13064944
Li       1.46322000       1.38703998      11.17370003       0.29879873      -0.18676413      -0.15904612
Li      10.41170005       9.75115002       5.35366002      -0.27858357      -0.24855605       0.52965065
Li       0.00210564       3.42977005       2.17474000      -0.13211210      -0.71214804       0.70248806
Li       4.29205003       3.42102005       1.35334004       0.05998938       0.04852008       0.04418163
Li       2.57009005       1.34793004       4.28804005      -0.10531465      -0.51362947       0.25158357
Li       9.36278996       0.14048696      10.73429997       0.47084930      -0.05672789      -0.04074014
Li       3.22422995       7.44347997      11.11650003       0.83442717       0.36677273      -0.04373085
Li       3.89006995       2.51963003       8.39085999       0.31996153       0.27790432       0.48161834
Li       5.41758003      11.38699995       0.93186105      -0.00307255       0.20303976      -0.07821736
Li       7.14904000       4.40600004       9.91990995      -0.52266199       0.11028646       0.06151591
Li       4.88915995       6.23953005       8.05158001       1.72557550       1.28212791       1.80429097
Li       9.61633994       6.15826997       4.97276998      -1.15473182       0.13828865       2.43180000
Li       1.78824002       7.07465001       7.30661997       2.70073175      -2.52796057       0.40813051
Li       6.62675996       9.41060002       5.24850999       0.38850090       0.52684553       0.75057424
Li       4.04783003      10.33919995       8.26037000       0.51353981       0.10617997      -1.32286375
Li       4.99270006       4.05584998       5.27909004      -0.53539241       0.30944049       0.32149244
Li       0.64979196       4.03320000       6.84353998       0.31391391      -0.87653301      -0.20103861
Li       1.43669005       6.31873997       2.21844997      -1.20935510       0.08486999      -0.12198097
Li       9.65935002       6.32101001       1.79226995       0.11814410      -1.30549362       0.20337610
Li       0.73019703       0.24776499       6.94139999       0.13416821      -0.54921331       0.40873945
Li       0.38704900       9.20640996       9.72768997      -0.00733736      -0.40278597      -1.64995826
Li       8.34223998      11.38039997       7.14218998      -1.38247373      -0.36777026       0.46782415
Li       9.00816997       6.81073998       8.13805003       0.34806533       0.23074180      -0.51140871
Li       6.76682996       8.71148999      10.33799998      -1.10384456      -2.55447390      -1.09633027
Li       0.75247201       5.01830002       9.98116005      -0.26484067       0.54901151      -0.08599222
Li       1.38667002       9.52202996       1.66651998      -1.96369148       0.78881903      -0.20851453
Li      10.44490004       0.60137394       3.18983001       0.22074725      -0.57656285       1.33770238
Cl       3.35119995      10.94739995      10.05820001      -0.16730001       1.36304721       1.56120482
Cl       3.81152003       8.21157000       8.64176000       0.28741777      -0.67532605      -0.67558111
Cl       4.83911000       0.16121988       4.05794003      -1.56839476      -0.71398551      -1.30583394
Cl       1.15978997       7.47266000      10.56319994      -0.17504581      -1.23861071       0.42093044
Cl      10.17400001       0.06892681       8.01103005       0.99276241       0.02281256       1.38103463
Cl       8.76556998       0.43433503       5.21371005       0.02216594       0.07099370      -2.24691795
Cl       6.48214999       8.61627995       3.22363003       0.06019430      -0.36371481      -0.39360372
Cl       2.10919000       2.11148996       2.19459006       0.19741305       0.25048204      -0.48085041
Cl       6.35052996       4.29517003       3.75235001      -0.97814591       0.17733271      -0.84323041
Cl      10.89245911       6.61374995       3.62128005       4.10450505       2.72032345      -1.22288101
Cl       0.23013304      10.75279999      10.99120313      -0.56380184       1.55886910       1.54052145
Cl       9.68552997       8.23132995       1.11397000       3.62261626      -0.64726511      -1.17310891
Cl       8.44434005       8.52111003       6.72465998      -0.12003202      -0.17823983      -0.40317838
Cl       3.59064004       5.34068005       7.03300005      -4.47206878      -0.36696328      -2.29330143
Cl       3.47692000       5.89653003       2.28551005      -3.88929075      -3.02452037      -0.64522978
Cl       9.22820998       4.59843005       3.75107003      -0.56848222      -2.60063490      -0.87245995
Cl       5.72102004       3.71714000       7.22851004       1.90028049      -1.33494204       1.12354768
Cl       4.76775001       3.35745005      10.59170003       0.61604749       0.00964169       0.03714249
Cl       8.83758997       6.04136997      10.08400003      -0.76646920      -0.36748394       0.76136118
Cl       0.07901996       4.75827995       0.57941595      -0.18155008       0.61165772       0.38548208
Cl       6.95634998       1.86100003       1.54824002      -2.05533230      -1.02993541      -0.33031529
Cl       0.64953103       1.82094005       5.53182995      -0.09147767       1.91538234      -0.29996837
Cl      10.41720004       5.15755996       7.45889003       0.21713031       0.15716358      -0.44398856
Cl       9.81745999       1.79554002       1.67852996       1.01589051       0.40136179      -1.19019598
Cl       6.03208998      11.26719994       7.10327998       0.12394833      -0.46059801       0.31627991
Cl       0.44360000      10.49099997       3.90606996       0.18565163      -0.45474523      -0.88332815
Cl       0.64221991       8.49672998       7.23387005      -2.72871674       3.00962348      -0.33237676
Cl       5.45667999       6.82221000      10.92579999       0.62409054      -0.02394152       0.31808124
Cl       2.81965001      11.07889995       6.13693999      -0.33167658      -0.10995419       1.21144359
Cl       3.29187001       9.02775005       1.79591995       1.40684996      -0.07631436       0.29518891
Cl       1.75317996       3.13950996       9.50646995      -0.22752246      -0.55282436      -0.68909147
Cl       7.35778001      10.37580000      11.08050002       0.58064549       2.14692926       0.96079827
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.86100257 stress="-0.011125871803758628 -0.0018107991043779935 0.005344145288878753 -0.0018107991043779935 -0.010777056827466597 -0.0005500476280573623 0.005344145288878753 -0.0005500476280573623 -0.02635344594462828" free_energy=-220.86100257 pbc="T T T" config_type=melt 
Li       4.24370998       4.90401995       2.35640000      -0.25400744       0.48771877       0.31599999
Li       4.80433998       8.34874000       4.80206994      -1.06184437      -0.81856914      -0.14425344
Li      11.10499998       7.52666995      10.53460000       0.19547702      -0.22533010      -0.16582906
Li       0.86920899       1.26586999      10.08679995      -0.25536427      -0.41072438       0.01528210
Li       7.90266004       0.02046534       5.34817001      -0.33397709       0.77494025      -0.25041615
Li       9.26718004       2.39618999       8.90823000       0.13550348       0.07744293      -0.34362374
Li       1.43348005       6.00346998       2.98869001       0.54848460       0.17165295      -0.25572842
Li       0.70833098       2.43887002       2.46815999      -0.26014230       0.81705439      -0.45611738
Li       7.17811995       5.84684005       4.50707006      -0.30652708      -0.48858690      -0.75287372
Li       4.62179998      11.02300000       5.95757995       1.30370392       1.27726674       0.52580370
Li       4.01112003       3.70461000      10.37690000       0.46643347       0.02048202       0.26266204
Li       8.99435999       5.53744997       2.09192995      -0.37152836       0.32405954       0.56434795
Li       5.22440003       3.11803002       6.75662996       0.40269740      -0.35067406      -0.24461476
Li       2.55894001      10.28229997       1.26890997       0.92056979      -0.45117759      -0.19354019
Li       4.27242995       0.17927497      10.12110004      -0.16266896      -0.52044840       0.00484141
Li       6.04178005       9.63758004       2.29291999       0.54685526      -0.11678532       0.82992780
Li      10.00589996       3.79126998       5.03158999       0.50743512       0.86108527       0.95575975
Li       2.14585999       5.82636003       5.91932996       0.18734543       0.30007600       0.68234024
Li       9.60185998       5.80737003       7.63112994       0.31075750       0.01197468      -0.33120930
Li       4.41374004       7.73100996      10.61820005       0.22230628       0.07091306       0.36158861
Li       9.34827997       8.18584003       4.10266998       0.06797360      -0.49822720       0.01021589
Li       2.18059997       2.21210002       7.28861004      -0.92793948       0.34411554      -0.45880803
Li       4.09478004       1.80816999       3.50211000       0.16142704       0.19234103      -0.11944385
Li       7.21519004      10.16649997      10.96830002      -0.04315223       0.40164553       0.23584988
Li      10.98070002       0.71558099       6.28914998       0.57386694       0.60107237      -1.24646567
Li       2.13569002       9.00663995       7.86373996      -0.12342909       0.19749629      -0.09719824
Li       6.23854000       7.03333996       7.45565997       0.84138644       1.44797057       2.39037455
Li       8.41323001       9.42119004       8.07655999      -0.22299314       0.06066163      -0.18456616
Li       8.03220996       1.82284002       0.30312095      -0.18466998       0.97567671      -0.64481810
Li       0.45727104       4.36696004      11.06089999       0.65317190       0.32590591      -0.02079765
Li       1.60141995       9.64627994       4.06954005      -0.55258455      -0.21172708      -0.70100204
Li      10.61100003      11.15099995       1.64835001      -0.16705950       0.59148038       0.04197243
Cl       9.60088002      10.74769999       6.50281997      -0.59347670      -1.80803774       0.41182756
Cl       0.27436304       6.88991001       8.19156002      -0.04631154       0.83324220       0.64550795
Cl       5.90609995       9.30860003       9.39441005      -0.15834881      -1.19183835      -1.74801712
Cl       6.33658997       9.70288001       5.16224002       1.20726726       0.56404357       0.02731529
Cl       0.23919899       7.54061005       3.37452999      -1.01480327       2.87264353       0.30250128
Cl       5.03900004      10.18280000       0.55967503      -1.37886000      -0.51440485      -1.18566309
Cl       6.10802994       4.11818998       3.09825001       0.30143316      -0.53181683       1.09914681
Cl       3.24426000       6.54445995       4.30957995       0.74974937       0.35461583      -1.54770678
Cl       0.52576301       0.64020105       3.32554003      -1.25656328      -1.95424468       5.47011270
Cl       7.76837996       6.81099002       6.33322005       1.44301148       1.38624414       0.61180136
Cl       6.07058004       1.17326004      10.36349998       0.88936685       1.51495845      -0.57875465
Cl       9.16660002       8.95200004      10.12169997       0.44798958      -0.00145110       0.42892155
Cl       9.43136997       5.88455994       4.39712004       1.08680780      -1.56323133      -0.89251779
Cl       0.03672880       2.22370004       7.57470998      -1.21113619      -1.55645935       2.03709420
Cl       7.59184002       7.50923002       2.66485998      -0.54157493       0.79911226      -0.51371271
Cl       2.07886996       4.14183001       2.46379004       0.29084766      -1.92512843      -0.52393162
Cl       2.73250004       2.34597003       9.23752998       0.91532203       1.47626795       1.49937809
Cl       3.24697004       1.88643995       5.57404006       1.11977198      -0.08938556      -0.83433158
Cl       1.25667002       0.47557296       1.03034999       1.14215165       0.19865062      -4.66326137
Cl       2.28179001      10.96919997       9.39460002      -0.42346295      -1.85850772      -0.56762235
Cl       1.73203994       6.68073998       0.34549695      -0.13504313       0.31647421      -0.75581294
Cl       0.68268997       4.44180998       6.31714999      -0.00819124       0.72898206      -1.38629783
Cl       6.60404005       1.23076006       6.84828000      -0.72102934      -0.12131618      -0.20681683
Cl       9.28579998       2.10788995       4.18232999      -0.56425755      -1.02269245      -0.38692484
Cl       3.83654002       9.99389996       3.15092998      -0.05800523       0.36935329      -2.02557598
Cl       7.44698002       0.28759098       1.44014000       0.94984384      -1.64471163       1.79302637
Cl       4.56618000       6.43712999       6.94298000      -2.97143168      -1.27251005       0.13658014
Cl      10.19599997       2.07177001      11.13519999       0.27299616      -1.22808420      -0.84929278
Cl       3.06601005       9.81810004       5.54870996      -2.17200418      -1.21822069       4.36326955
Cl      10.04479998       4.80296003       0.38691200      -0.48423299       1.41841474       0.10604430
Cl       8.35285005       3.94118998       7.49355996       0.17524070      -0.16074204       0.47278637
Cl       5.03304996       5.01412003       0.34343200      -0.07057386       0.58899791      -1.32473370
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.72381615 stress="-0.01694331466180386 0.0015270613415756568 0.00620619046047186 0.0015270613415756568 -0.019920168435652162 0.0012926425420974413 0.00620619046047186 0.0012926425420974413 -0.007510597985128208" free_energy=-221.72381615 pbc="T T T" config_type=melt 
Li       8.04463999       2.52108003       5.75998002      -0.09303364       0.01042358       0.69066852
Li      10.49880004       5.82332005       0.47251395      -0.31778041       1.63065314      -0.55459264
Li       3.67427999       8.26560000       3.32863997       0.49840785       1.04345760       0.06562817
Li       6.56828995       9.23970005       5.39890999       1.63242762       2.03940573      -0.70686648
Li       0.44452001       1.97409996       0.96904097       0.02989815       0.06077547      -0.35018439
Li      10.37400000       0.29282798       9.65260994      -0.73749396      -1.82275819      -0.07321159
Li       0.64419097       8.21648004       9.25234997      -0.14741779      -0.04679839       0.02195015
Li      11.02250004       4.37092004       3.92644004       0.08002491       0.02987902      -0.30101489
Li       5.79924002       4.87691002       2.58828994      -0.47302595       0.23046993       0.13331581
Li       0.77070503       9.06028005       4.80692999       0.58139464      -0.17208898       0.29750052
Li       4.83057003       2.96648003       7.37867996       0.25705435       0.17674639       0.46226877
Li       5.59442997       8.91300005       0.09651995       0.01266561       0.37539829      -0.50211245
Li       1.15503000       0.92712298       4.23669005       0.68132207      -0.09441505      -0.64254108
Li       8.19565001       2.98554995       1.73493995       0.24027063      -0.01310847      -0.56532790
Li       1.74054002       3.88987999       9.97364005      -0.85732213       0.23769267      -0.35378977
Li       2.13592997       5.40075998       1.94182996      -0.66974339      -0.39770105      -1.15622480
Li       6.84776995       0.29365295       8.81968998      -1.29979977       0.86699744      -0.21254814
Li       4.92867996       1.80864002       0.27231987       0.01573878       0.32842939      -0.10628325
Li       6.08016005       5.05681003      10.60990003      -1.77936086      -0.87950737       0.38410337
Li      10.23290005       5.84414996       6.78500004      -0.78550449       0.65180713      -0.09081048
Li       9.16842995      10.32980004       2.50723003       2.45684550       1.33250445      -3.38488721
Li       6.19105002       6.28698999       7.13769002       0.67562924      -1.50622268       0.89740358
Li       9.50838999      10.54610005       6.81829999       0.86985829      -0.63268690      -0.08579895
Li       8.94857005       3.33579001       9.73062001       1.26445411       0.84814152      -1.20170482
Li       3.84258995       2.03918005       3.45217997      -2.04602324      -0.47124092       2.19974767
Li       2.98751997       0.30289098       8.59264003      -2.26537315       0.34141439       1.80326122
Li       3.26084996       7.32090996      10.44310003       0.88784919      -1.81761836      -0.01201020
Li       0.81583096       8.91495999       0.81746794      -0.29591075      -0.16760666      -0.47212564
Li       2.63838999       5.39924005       6.33751995      -0.00725702       0.00891405      -0.29166744
Li       3.71502003       9.04015004       7.63972999       0.03905570      -0.53442882      -0.26142593
Li       0.80594004       2.03577000       7.00018996      -0.44626250      -0.43046491       1.12857089
Li       8.55858000       8.45567995       9.44490998       0.77892647      -2.32894471      -0.06058247
Cl       3.07683004       4.50093002       0.05298630       1.96741564      -1.64967390       1.18466547
Cl       2.23201004       1.74755994       2.37261003      -1.36369699       0.09106314      -0.96396144
Cl       5.24164999       6.38335999       9.21172996      -1.33661088       1.09532175      -0.78395301
Cl      10.75410004       3.89022002       0.98223200      -0.06133384      -1.18958846       1.11657201
Cl       7.15146997       3.79615996       7.76294005       0.63918364      -0.43349476      -0.38786791
Cl       2.83503003      10.44380004       4.20757995      -0.38654971      -0.63850257      -0.21405460
Cl       5.51031998       7.82868999       6.04332004      -2.36074815      -0.33053885      -0.07835058
Cl       1.35313998       3.50800000       5.62427997       0.77824879       0.23219639      -1.71777436
Cl       9.98284002       8.09742005      11.24669998       0.57159671       0.51367188       0.22600624
Cl      11.01920005      11.43200000       1.30693997      -0.47745256      -0.93903597       0.28534857
Cl       3.11505997       2.32206001       9.28830000       0.44757396       0.07714884      -0.82340364
Cl       4.96581001       4.63370002       5.87059003      -1.09935707      -0.16785160      -0.53906010
Cl       0.25958099       5.00182998       7.89174995       0.61721345       0.11091673       1.21347585
Cl       5.13293996       6.90244001       1.02218995       0.38232672       0.26317943       0.64450127
Cl       8.92729005       7.68162998       7.26827000       0.19011337       0.18486301      -0.31098713
Cl       8.16310005       9.76316997       3.89940004      -2.06504897      -1.08083201       3.01605079
Cl      11.00419996       2.13474995       9.81772997       0.59643963       1.99352483       0.07391560
Cl      11.05769997       0.81694701       5.59833000      -1.16537111      -0.39019760      -0.75076727
Cl       4.34271000      11.09549999       7.47821995       2.40193453      -0.48964484      -1.91146431
Cl       5.86444999       0.12591987      10.65679994      -2.67387883       0.37752799       2.15596354
Cl       7.41278998       2.90541004      10.85079998      -2.25863565      -2.77512762       2.62341160
Cl       2.91196005       9.27551996      10.74379996      -0.23231441       1.74883220       0.08023715
Cl       0.37129100      10.96458113       8.13265001       0.11804231      -0.40178462       0.88524903
Cl       7.82592996      10.22799998       9.62026004       1.79917584      -0.99029008       0.44940415
Cl       8.25017000       0.62540606       7.38209999       0.19242065       1.44177699      -1.62523838
Cl       0.16861996       6.54998000       3.20067006      -1.78633562       0.24994156       0.04428945
Cl       1.34843000       6.49576004      11.11739998      -1.67342174       1.45015440      -0.32409278
Cl       8.63629005       3.70580997       3.90723003       0.17331878       0.15382442      -0.00196031
Cl       2.91211000       6.40815001       3.52030003       1.70757691      -0.51461575       1.55151672
Cl       5.51032996       2.42488004       2.81793002       3.77665284       1.09796453      -1.68781016
Cl       7.94505999       5.47945000      10.55530002       3.53828004       2.90402965       0.08028643
Cl       1.57811995       8.39044005       7.00682996       0.26272763      -0.89227785      -0.20885606
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.29450187 stress="-0.015680557919672773 -0.003616741465810809 0.004625828590795026 -0.003616741465810809 -0.018263295887683946 -0.00040104057296702254 0.004625828590795026 -0.00040104057296702254 -0.013421713281063001" free_energy=-220.29450187 pbc="T T T" config_type=melt 
Li       8.05709995      11.44009997       3.45204996      -0.26794392       0.59666173       0.36659459
Li       7.82649996       7.17567003       5.74151003       0.06485849       1.06597961       0.46976933
Li       7.21844005       0.70529696      10.90699994      -0.56602001      -0.12171314      -0.16433228
Li      11.23319998       7.82969001       5.67224996      -0.63474817      -0.21580760      -0.22753254
Li       3.12590999       4.34394000       9.07783003       0.12974413       0.07895517       0.29791259
Li       0.89326197       7.58858004       2.57390995      -0.29350791      -0.31355349      -0.08050329
Li       1.25123996       9.95466002      10.67639996      -0.02698848       0.72760494       0.04675640
Li       6.87429004       5.60523001       9.25415995      -0.06062533       1.13228866       1.98774804
Li       9.52440994       9.54018995       8.13835005       0.37553372      -0.42234393       1.05163348
Li       5.95268001       4.60073999       4.93363998       0.20936756      -0.03928938      -0.31272006
Li       0.50026094       3.93287001       0.95973404      -0.42117738      -0.29456086      -0.39186064
Li       6.60911998      10.37430002       6.11821997      -1.75218650       0.78225266       0.52371773
Li       8.91917001       1.93931000       8.68946998      -1.98457381      -1.17731267       0.06054205
Li      10.87379996       5.30263996       8.23557001       1.02443115      -1.62483011       0.04288629
Li       5.37076003       6.71828997       1.77816006       2.36568160      -2.14970706       0.48522694
Li       2.41717994      10.15449996       5.43276997      -0.11571300      -0.22478051      -0.18487643
Li       5.15442998       2.61587002       1.31747002       0.09909495       0.10187886       0.58025468
Li       9.42344999       6.43536002      11.30150004       0.31031886       1.06009286      -0.32920361
Li       8.65397003       4.28318998       2.72113997      -2.70765583       1.75360014       0.27857836
Li       5.98183998       8.78337997       9.46090998      -0.03605715       0.10142590       0.06992352
Li       9.05888004       9.28468004       1.02766002      -0.31649151      -0.71029228      -0.06124796
Li       2.58259002       5.53282001       4.73558996       0.05076361      -1.22639033      -0.91862463
Li       3.73925998       7.56437000       7.46681001      -0.34400439      -0.32206885       0.11511959
Li       1.19213002       1.63634003       3.05278004      -0.47476570       0.17764246       1.82589676
Li       2.96709005       1.01934004       9.64406997       0.08689232      -0.59724849       1.90591266
Li       5.97300996       2.34594997       7.00390004       0.31652424      -0.07545428       0.42294427
Li      10.24870000       3.96786002       5.62686001      -1.30515448      -1.00720656      -0.23497947
Li      10.35680002       0.33171803       6.14767996      -0.58242222       1.50780765       0.22655477
Li       2.16881996       2.40326999       5.96222998      -0.15208217       0.51105363       0.44070420
Li       2.56355003       7.16860998      10.78009999       0.61077299       0.59610754       0.49918238
Li      10.29549994       1.31593003       0.63499501       0.11012433       3.05998454       5.07946033
Li       4.07205004       9.54883998       2.59182002       0.04387503       0.50431769       0.54210507
Cl      10.20219996       3.26365997       2.47730001       3.07970106      -2.37081580       0.27051384
Cl       1.76600001       7.12203004       5.73839003       2.12376827       2.97846577       1.28687056
Cl      10.32849999       0.51490301      10.54700000      -0.32044423      -2.96266039      -4.63664422
Cl       5.93105000       4.55741005       1.68101003      -0.72026712       0.25148834       1.12625065
Cl       5.81397001       8.07950998       7.28426004      -0.11185412       0.19834362      -0.88200942
Cl       7.28554002       7.73450003       1.65424002       0.69595029       0.64448994       0.46313214
Cl       4.70695998       6.42402998       9.54407004      -0.79931321      -0.08653238       0.42373466
Cl       7.37242001       1.40624998       1.71518997       0.55031720      -0.96301178       0.24557811
Cl       8.30578001       9.55431005       6.49769005      -2.10559424      -1.46460609      -0.32339244
Cl       0.25336197       1.56231999       4.96850997       0.89259800      -0.20841116       0.31926351
Cl       6.87329001       4.56433001       7.65946999      -0.05046753      -1.92344176      -0.99897476
Cl       0.65987204       4.73591004       5.73141997       0.03306161      -1.44634472       0.49490826
Cl       8.63187997       4.68607997       0.51123100       0.12088640      -0.08504836      -1.66077310
Cl       8.06194005       9.09121997      10.37559995       0.33449084       0.25747775      -0.24540286
Cl       0.31718499       8.13300999      11.06296013      -0.57304992       0.06079748       0.81236819
Cl       1.92607999       9.43156005       3.38737996       0.09040251       0.71596862      -0.25748703
Cl       9.94061994       7.04959998       8.36166001      -0.75966536       1.10995976      -0.20895230
Cl       3.11976996      10.36099996       9.60326998      -0.01182474      -1.08128945      -0.27209787
Cl       3.26607996       2.20062004       8.12983003      -0.39239932       0.89230400      -1.24868542
Cl      10.63840000       9.85803001       5.86757997       4.70251050       0.33139904       0.30754783
Cl       1.83374003       4.92863995       2.18450000       0.84292476       1.21151124       1.49195184
Cl       1.45164005       1.69126001       1.17701001       0.31721185      -0.40078447      -2.80745041
Cl       6.88706996       0.24256800       8.45188000       0.04946107       0.81148162       0.27687558
Cl       1.52934998       5.41403000      10.41620001      -0.54208643      -1.73059816      -0.99009476
Cl       8.44211002       1.74477997       5.75261995      -0.27159304      -0.35344311      -0.34290718
Cl       5.02471004      10.74849997       4.68607000      -0.56007843       0.09130418      -0.49896070
Cl       3.99432004       7.86986005       1.30129003      -2.78666691       1.61261988      -1.40409989
Cl       4.87216003       1.64523001      10.99820001      -0.14199445      -0.48504412      -0.76221793
Cl      10.55249999       2.89998996       8.37111999       1.90530176       1.64243000      -0.64556616
Cl      10.10419997       8.12884994       3.62423004       0.11391498      -0.69159773      -1.13170650
Cl       8.02269002       5.19161002       5.04586004       1.03565691      -0.27575269      -1.32397115
Cl       4.29180997       3.64504997       5.88313998      -0.49672396       0.48424646      -1.29114417
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.92302088 stress="-0.003001972546321655 -0.004443637291652084 -0.001259914621018542 -0.004443637291652084 -0.015644991285345314 0.0010051252022363801 -0.001259914621018542 0.0010051252022363801 -0.015341222085569458" free_energy=-223.92302088 pbc="T T T" config_type=melt 
Li       0.30296997       4.40327006       7.27776002       1.61163948       0.80361130       1.27662401
Li       7.41967004      10.79949996       8.94343004       0.55977953       0.61219505       0.40085173
Li       1.27798005       9.25532002       4.52155999      -0.98841516      -0.38029176       0.58429549
Li       4.97276000       5.31093001       0.47887204       0.89473283      -0.24578484      -0.55253122
Li       7.47305002       4.86593997       6.77309003      -0.37832142      -0.25810873       0.12419710
Li       2.37709005       5.74051000       3.54102000      -0.53054783       0.09303091      -0.07822273
Li      10.45459996       9.59161000      10.53759997       0.59825817       0.16340266       0.05965927
Li       9.01454996       0.97146601       0.66779500       0.13075970       0.72251315      -0.57052873
Li       0.61630399       0.88986304       8.68427998       0.41386322      -0.22674646       0.03962742
Li       3.36055996       4.09624001       6.87509002       0.02433925      -0.16763402      -0.27577139
Li       2.30803002       2.45496002       3.52945999      -0.12406626       0.28909379       0.15494932
Li       5.23927001       6.07799995       4.35198999      -1.69927071      -1.03895451      -1.87415100
Li       8.84570003       7.60493005       8.16584999       0.23333887       1.39730015       0.02358129
Li       4.92730001       1.40074999       0.78899503       0.02543804       3.73890351      -0.36950010
Li       5.13362002       9.06206000       6.10740996       0.57448973      -0.34916212       0.21611436
Li       6.62679997       1.47406005       4.79638996      -0.30728541      -0.30381513       0.16170545
Li       8.37503997       3.85035001       1.98240996       0.37677031       0.09944786       0.32680592
Li       8.90286001       8.46476000       5.07896005      -0.59253269      -0.04853687      -0.26741401
Li       1.79897002       1.57905004      11.24169995       0.14654446       0.49505334       0.15362983
Li      10.16450002       6.89404999       1.29302004       0.37849753       0.08643142       0.36644388
Li       1.65139000       8.24326999       7.96265996      -0.14712439      -0.36697791      -0.20623729
Li       5.70576005       7.70404999       9.65495003      -1.23615310      -2.66481973       3.22337891
Li       4.11538995       9.98408000       2.32273996      -1.02689117      -1.45588127       0.88264016
Li       1.21239004       4.54569998       0.65304403       0.28997035      -0.23833182      -0.26100400
Li       3.22267998      11.44330000       6.06071995      -0.33568704      -0.16883722      -0.10607888
Li       1.84198996       8.38840996       0.44444205      -1.74285851       0.51690072       0.81147405
Li       4.67146004       2.06024004       9.05098000      -0.25267566       0.29772845      -0.19045836
Li      10.36209996       4.74635996       4.52503000       0.21980165       0.63579177      -1.63017973
Li       4.24113005      10.13130004       9.70804994      -0.43148913      -0.15846749      -0.21358090
Li      10.48839999       0.68609796       4.09561005       0.05705234       0.31631236      -0.40494534
Li       8.59345996       3.65910999       9.89931999      -0.40615169       0.06854735      -0.02541214
Li       7.67318001       9.52689001       1.44841996      -0.78913606      -0.15647947      -0.05198876
Cl       8.93293002       5.61397003       8.23230005       0.25550791      -1.00437115       0.85043407
Cl       8.28040005       1.50226998       9.50662002       0.50039072      -1.64380201      -0.76430489
Cl       0.54233405       7.78653995       9.94214997      -1.53873705      -0.22451005       0.11115073
Cl       6.77859002       7.29409994       0.24353501      -1.21410913      -1.75370678       0.42667331
Cl       6.30154997       8.93314004       8.43415003       0.47355345       2.37163249      -2.86313654
Cl       3.89853002       0.58370600      10.68930003      -0.93860749       0.19399641      -2.33236473
Cl       8.79145002       5.92636994       2.91558998       0.36380381       0.25857616       0.22105627
Cl       8.41174000       2.26196999       3.60019001       0.15381443      -0.23077245       0.48809178
Cl       0.32193602       0.03781986      10.86310001      -0.26827879      -0.98668709      -0.69910672
Cl       9.36639995      10.74149999       2.02891000       0.59392567      -0.20974283       1.16360517
Cl       3.13619999       8.89372997       5.44063000       0.90498518      -0.71704196       0.56608011
Cl       6.46786996       6.82362996       5.66388000       1.52446723       0.76874359       1.34477470
Cl       3.68129005       4.15718997       4.45921998       0.37111278       0.53331112       0.16079942
Cl       7.29068003       3.00936997       0.37214200      -0.76947465       0.32653033       0.23371392
Cl       1.00411995       7.60424999       2.11869996      -2.16442996      -1.74293638       0.65551531
Cl       1.74590003       5.92710996       6.52654002       0.15317898       0.16357818       0.27447834
Cl       2.18502002       2.89947006       8.62965005      -0.44140738      -0.11087674      -0.04900970
Cl      10.92650000       2.63148999       0.66395103      -0.52207447       0.49127811      -0.74306477
Cl       6.52669995      10.63440000       5.51383997       0.82220447      -0.05559034      -0.33825298
Cl       5.33218995      11.17050000       1.41355995       3.31400396      -2.32660105       1.54932811
Cl      10.61760001       8.37023002       6.36260999      -0.29524461       0.20450462       0.06144107
Cl       3.90507005       6.14343004       1.99092001       0.23508470       1.62352488       1.22581134
Cl       2.00095000      10.45389995       7.86012997       0.11464364       0.81827937       0.50095363
Cl       8.25071994       9.35131995      10.82239998       1.60357959       1.46770831      -1.61363530
Cl       3.50157003       3.52579005       0.64667298      -0.46729778      -1.04722532      -0.39550251
Cl       6.13389003       3.65273998       8.39031005      -0.36659321       0.63226665      -0.30598274
Cl       4.53202997       1.78029998       5.88590998       0.39180353      -0.57774802       0.64567185
Cl       3.30620999       8.43319998      10.72910000       3.62660005      -0.03454271      -1.92635095
Cl       0.73624501       4.24291000       2.70407997       0.02279556       0.29944751       1.84996834
Cl      10.34789996       3.64350000       6.20204999      -1.50768440      -1.86597249      -0.23898440
Cl       2.11214996      10.08470004       2.89245002       0.69910410       1.12869378      -2.48815237
Cl       1.40642997       0.63949795       4.71758003      -1.17729008       1.14262142       0.70032749
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.78828143 stress="-0.005437621175404434 -0.00536251738944361 0.005029959453518947 -0.00536251738944361 -0.021251123083420795 -0.002922861312045429 0.005029959453518947 -0.002922861312045429 -0.0146354767730237" free_energy=-222.78828143 pbc="T T T" config_type=melt 
Li       0.01519625       4.24959998      10.47380000       0.01033887       0.55293458       1.01094485
Li       4.03016002       1.01285997       2.42644996       1.77229645       0.48287217      -0.31019995
Li       1.98340999       9.00784003       6.23330999      -0.46525340       1.01890655       0.72705976
Li       9.45625996       1.21047000       9.24848994       1.01742120       2.49129158       1.75577385
Li      10.95840004       2.73541002       6.51951001      -0.03442225       0.10172874       0.26247796
Li       4.60966000       6.94633995       7.20679005      -1.05166680      -1.03150815      -1.40696329
Li      11.00679994       8.99251997       3.98589998       0.70007413      -1.54199440      -0.43574008
Li       7.64236001       7.76155998       9.72606996       0.59952295      -0.19028400      -0.52226467
Li       8.74394996       9.76495003       6.36731997       0.00893172       0.37433411      -0.15785068
Li       2.08122999       7.13201004      10.22329997       0.10130294      -1.04425859       1.30406400
Li       3.34366001       2.87686995       9.13477999       0.07354119      -0.63473176      -0.20587219
Li       6.68050003       9.94020998       3.16644001      -0.13789772       0.82362479       0.37940326
Li      10.97719997       9.05930995       9.50649999       0.46689384       0.19574420      -0.09064093
Li       6.40190003       1.36815005      11.45190004      -0.62890792       1.31096820      -2.67900992
Li      10.45859996       6.55183000       6.77076003       0.06492824      -0.14342091       0.17579588
Li       5.63557997       7.39201005       1.24111998       1.94146071       2.52386754      -0.47502344
Li       0.88199900       4.14412000       3.04739997       0.13021808       0.37117587      -0.30988957
Li       5.85509995       0.90671404       7.39547995       0.57991892       0.21872026      -0.18194079
Li       1.97838004      10.52669997       0.78389904       0.25019509      -0.30497125       0.02851724
Li       7.83329003       4.40589996       0.36647199      -0.15610744      -0.37363511      -0.30546357
Li       8.31682997       4.14890004       8.15432999       2.29982065       0.27748600      -2.44060492
Li       7.14868002       6.72679004       5.01211000      -0.04731121      -0.46603339      -0.38750370
Li       2.49004003       1.09317998       4.87054999       0.41538758       0.15809117      -0.24154952
Li       2.01173995       7.35764003       3.42487996       0.16829026       0.00231954      -0.18471341
Li       1.32146005       0.68438301       8.56174999      -0.55227343       0.64245959       0.74038645
Li       5.53010997       5.59147000       9.91154000       1.05267370       0.35663818       0.26212945
Li       3.80748002       4.06986999       1.05189998       0.17670828       0.19013816       0.00993824
Li       2.89211996       5.13420997       5.13860996       0.44277179      -1.21675520       0.04534825
Li       4.40952004       9.70329995       9.20378005      -0.19320033      -0.11230199       0.48128821
Li      10.29609999       0.97562995       1.90594000      -0.18517910      -0.27009904       0.13918289
Li       5.50144995       3.27358998       4.53830002       0.11187728      -1.11334462       0.19986296
Li       9.65624997       7.09545997       1.25711999      -0.05082268       0.48906302       0.42539214
Cl       5.26697998       5.27518003       5.04839995       0.57341645       1.48359755       0.64186583
Cl       5.51770997       5.65034000       1.74022005      -0.89485158      -4.80920785       1.30998929
Cl       8.24300001       8.48656999       3.02034002       1.09436686      -1.75197045      -2.49604653
Cl      10.94479997       7.25899001      10.85730000       0.66353609      -0.06749017       0.27678492
Cl      10.01819999      10.68970002       3.95709002      -0.45983162       2.73776372       0.21204306
Cl       0.90019705      11.03439997      10.31879995      -0.60327191      -0.03209574       0.53085940
Cl       2.84924000       3.67920997       6.88539996      -0.36834456      -1.03976347       0.02141944
Cl       7.17973997       4.05409996       9.57727999      -2.98936588      -0.91002845       4.29191786
Cl       5.44898001       0.34714001       4.86749005      -0.69973625       0.48380845       0.18100633
Cl       7.75148998       6.60084002       0.09832535       0.27497339       0.75852264       0.01691954
Cl      11.21539997       3.06265996       8.78843996      -0.06143023      -1.28750897      -0.91743585
Cl       3.97380001       2.16520000      11.35280005      -0.14248434       0.01378103       0.55081478
Cl       9.03106999       6.09244001       8.46881996       0.32019833       1.15370803      -0.43878660
Cl       5.69241001       7.82942003       8.62830999       0.67582991       0.57486472       1.11569283
Cl       3.68635004       4.80337997       9.63804996      -0.79505330       1.99303486       0.30458736
Cl       2.04478000       8.44405998       8.70304999       0.71489784       0.98052480      -0.85688291
Cl       5.51999996       0.14369902       9.94191002      -0.01838426      -1.29853202      -1.99629350
Cl       6.64814004       0.80211395       1.73944002       0.43492721      -1.12586710       3.23680887
Cl       6.97154004       8.80646995       5.35494998      -1.27617735       0.54870766       2.16930078
Cl       2.51630997       7.03627000       5.89044994       0.32443003       0.34551009      -0.29066136
Cl       2.07180005       0.59782701       2.41851003      -1.54570251       0.69039829       0.21881750
Cl       1.96494998      11.43239999       6.78413999       0.37996200      -0.47777461      -1.26300564
Cl       7.34102003       2.85992998       6.88626001      -0.57971426      -1.24992753      -1.51899388
Cl       1.46893002       9.29933001       2.64784997      -0.34529344      -1.07253955       0.44193822
Cl       9.52606997       2.63068004       0.26143901       0.15919798      -0.18606421       0.42420391
Cl      10.56760005       4.63062003       5.60567998      -0.60468197      -1.52946672       0.63438969
Cl      10.52250003       8.75425004       7.30659005       0.50479376      -0.08986209      -0.85518860
Cl       1.63709003       4.44263002       0.69585601      -1.08330359       0.33809271       0.44871180
Cl       4.06806001       8.36921004       0.64476200      -1.72718288       1.37757833      -1.06432850
Cl       3.15297005       3.22777998       3.59109999      -0.09239142       0.34703178       0.00478820
Cl       8.80535998      11.25960004       8.21830996      -1.07601899      -1.95045835      -1.31708900
Cl       0.05195302       6.41008002       3.82631996       0.36115892       0.91260674      -1.63048198
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.22389112 stress="-0.023769057646706115 -0.008212494233894143 -0.006483825294375435 -0.008212494233894143 -0.017295105914205584 0.0006516920958930522 -0.006483825294375435 0.0006516920958930522 -0.022309063492733247" free_energy=-221.22389112 pbc="T T T" config_type=melt 
Li       9.01656996       5.94296999       9.35956002       0.76656331       0.98737138      -0.62346246
Li       2.09381995       0.72667004       7.82251005       0.62055419       0.91328007      -0.37703523
Li       6.40612003       8.24542998       6.96290996      -0.84591529      -1.05476368      -1.50599742
Li       7.68399999       7.97297001      11.33049997       0.25056106       0.37552477      -0.17754201
Li      10.30430004       2.13924005       3.10375997       0.09847548      -0.52036929       0.35408301
Li       0.54139696       3.50730997       7.72515000      -0.07753949       0.28870940      -0.18727001
Li       9.59012996       5.27044998       2.00816997      -0.05080534       0.13654989       0.21722580
Li      10.90249999       9.39047998      11.24070003      -0.15727294      -0.23031639       0.36299014
Li       0.38786400       6.95732995       7.91662996       0.08368359       0.63174357       0.51633417
Li       2.49560995       6.96887998       2.16999998       0.68364462      -2.36042285       0.79544182
Li       3.50347001       7.14178999       5.33870005      -1.77241661       1.08001151      -1.99396233
Li       9.51270996       1.61955002      10.91789995      -0.18119454       0.77928615       0.46508463
Li       4.78169001      10.10080001       1.62623003       0.00797115       0.47401083       0.17562516
Li       0.80627800       4.72215004      10.79670004      -0.25133427      -0.09178430      -1.84190295
Li       8.82992002       4.34713005       5.80043998      -0.13166362       0.34933296       0.00742271
Li       6.83605999       7.48641003       2.99193005      -0.15765892       0.13163024       0.22959677
Li       5.42336995       5.26253997      11.44348836      -0.46526721      -1.26812807       0.60208146
Li       7.62373995       0.91324295       6.01894997       0.04637324       0.62825247      -0.65344709
Li       0.78056397       9.60047005       3.43454997      -0.47338250       3.07671939      -2.35025649
Li       3.68945995       4.99946994       7.96404003      -0.83903051      -1.16255835      -0.37113833
Li       6.58347003       4.11066001       8.95566002      -0.37576164      -2.13560669      -2.13646071
Li       4.37445998      10.63100004       4.84122997      -0.39842913       2.34693880      -0.06919982
Li       7.28751005      10.96949999       9.76774995      -1.90475843      -0.31942283       0.20098259
Li       0.58359399       5.00209996       4.63596995       3.35988703       2.10219013       2.17281286
Li       1.50419999       0.09747974      11.11819996       0.60162429       0.21293916      -0.14132845
Li       4.43846001       2.75203999       5.85411999      -0.83019380      -0.17095605      -0.44509887
Li       9.20728996       7.77526002       4.75329998       0.49028019      -0.89228906       1.25669607
Li       3.42990006       2.56400997       2.47203996      -2.07784434      -1.60579814      -1.40331978
Li       4.35133996       1.44374999      10.10580004       0.10472008       1.10892518      -0.79099538
Li       8.69819005      10.36550004       3.19493000      -0.57483987      -0.00090964       0.10111485
Li       7.21798996       2.73569995       3.20518996      -3.07830596       0.02829083       2.60937493
Li      10.40310001      10.55369995       7.67041001      -0.19449344      -0.04714887      -0.29349421
Cl      10.44769996      11.31320002       2.22309003       0.96367313       0.28867866      -0.50547130
Cl      10.52680005       4.58934002       8.94304002      -0.03323842      -1.90739130       1.38514954
Cl       4.39388998       6.43689004       6.81565002       2.58039841       0.58635709       0.94187520
Cl       9.93470999       2.39504001       6.19030002      -0.13372946      -1.17634407       0.57952343
Cl       4.87494998       5.03839003       9.59872003      -3.06656126      -0.56361059      -0.89643159
Cl       1.11278000      10.51579996       8.36272000      -0.83073148      -1.18621265       0.71911208
Cl       6.46794999       3.21067998       5.66648996       2.34571116       0.12114080       2.00172923
Cl       9.03515001       7.96211999       2.73440999       1.03134945      -0.38296270      -1.68803008
Cl       7.42478998       6.42548996       4.92246002      -0.34171581      -0.27577575       0.59913198
Cl       6.78589999       0.63786704       3.61154997       0.49514737      -1.14412219       1.05130178
Cl       1.73119996       8.56076005       1.57274996      -1.05763498       3.23930879      -2.19979851
Cl       1.31115997       2.22851997      10.12869994       0.08963811      -0.27823266      -0.19401313
Cl       9.48486001       9.74262999       5.53207001      -0.16222733       1.27976112       0.73565046
Cl       8.55233002       2.78930004       1.93588998       2.52771191       0.70871316      -3.51862609
Cl       7.39261995       5.21316997      10.25169997       3.34641741       0.64261892       1.79718610
Cl       7.29793004       8.83180005       8.65156999       0.48446736       0.51848775       1.43083980
Cl       1.02032998       8.12341003       4.47199005       0.94876916      -3.77970350       3.02252576
Cl       1.37286004       5.15550006       1.22252996       0.48690888      -0.08795680       1.49481519
Cl       4.02077994       0.56094195       6.60912996       0.04139302       0.16434963       0.51210110
Cl       6.41466997       1.89792005       9.74157001       0.52887943      -0.37335061      -0.20364384
Cl      10.58709998       4.22408003       3.92166001      -3.12525899      -1.08150533      -2.45612978
Cl      10.49249996       6.19687995       6.60133998      -0.98643601       0.32211832      -1.81172076
Cl       3.82655005      11.43370004      11.31549999      -0.53292791      -1.29498637       0.30685014
Cl      10.39309995       7.40139001      10.47700002      -0.24031156       0.54838690       0.22786346
Cl       2.22719997       3.89524997       6.07913996      -0.03869323      -0.55750988      -0.24135227
Cl       7.19199001       9.91905002       1.30739006      -0.68584711      -0.01624547      -1.06741027
Cl       6.44373995       6.54941000       0.97548803       0.00789082       1.86366098       2.83074155
Cl       4.80437002       3.26354005       3.51363997       1.00774779       1.90737477      -0.09598413
Cl       1.91513000       5.75875999       8.65846002      -0.56775706       0.19139815       1.36537365
Cl       3.37339996       0.21748599       2.93157004      -0.51241028      -0.13480990       0.32433814
Cl       9.23019995      11.35900005       9.70908001       2.25527536      -0.18887881      -0.22381142
Cl       4.67569999       8.75294999       4.44175003       0.89787175      -1.74398897      -0.92864083
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.89749486 stress="-0.01275425248047659 0.0011169795057341533 -0.003972278859506873 0.0011169795057341533 -0.022952004992831815 0.00033852642895836223 -0.003972278859506873 0.00033852642895836223 -0.006518795658611573" free_energy=-222.89749486 pbc="T T T" config_type=melt 
Li       8.94115002       4.05758005       9.95132999       0.14792324       0.42695887       0.17665489
Li       1.37161995       4.35079999       8.37040003       0.14550531       0.34205218      -0.18352946
Li       9.46236996       6.34162004       6.55917997       0.39713941      -0.19851913       0.19801450
Li       6.64626001       1.33534994       7.22593001       1.00506688      -0.20337674       0.60041612
Li      11.36329996       9.37125003       7.96316003       0.34238749       0.23953775      -0.14878566
Li       3.42424003      10.12840004      10.03679998      -0.03112720       0.27148306      -0.32137442
Li       2.32637998       0.33800699       2.00373994       0.19625310       0.16219021       0.31044758
Li       3.89771995       3.59641998       4.99844996      -0.08056609       0.30970330       0.19171103
Li       7.62143999       9.23246001       7.87032000      -0.02274240       0.54264037      -0.11437396
Li       1.39331999       6.14836002       5.47360001       0.14327145      -2.00900007      -0.46386292
Li       3.36860995       6.98448000       8.12315999      -0.37960077       2.66502531      -2.29384960
Li       2.56212995       1.15868997       7.40412998      -0.48985546       0.11524625       0.13905256
Li       7.85788996       0.89404097      10.56419997       0.24276066      -0.53235621      -0.01539956
Li       0.04951996       3.78321002       4.14860999       1.84584320      -1.25116919      -0.21182351
Li       2.29423999       3.36375999       1.26189005       0.79117838       0.84651734       0.38705063
Li       8.68620002      10.47520001       5.13516001      -0.14172300       0.20182012       0.68445297
Li       6.12124000       3.17093997       0.94201703      -0.25274829       0.33256034       0.03990454
Li      10.84040004       9.07031004       3.03088005       0.12938208      -0.00533578       0.16093381
Li       5.30160004       9.82172000       0.97671298      -0.15095497      -0.54083505      -0.00007675
Li       4.94172998       4.43697000       8.99860005       0.95294090      -0.80613405      -0.08394796
Li       9.70279999       1.23956004       2.34408003       0.24128871       0.01317981      -0.11153089
Li       5.94130996       7.34789000       4.01157000       1.16598984       1.57368955      -0.18710568
Li      10.68289998       1.31388996       6.73921996      -0.97783199      -0.71704840      -0.43809434
Li       0.40979505       0.92935702      10.57720001      -1.11585338      -0.12551675      -0.29322712
Li      10.78000003       7.06594002      10.67870004       2.29370744      -0.82442711       1.04635479
Li       1.83363995      10.05539997       5.03405997      -1.08554992      -3.41888907      -0.12879826
Li       6.89421003       7.47551002      10.78009999      -0.22789970      -0.01321755       0.10049638
Li       7.43158005       4.44520995       4.70062998      -0.25343515      -0.08248704       0.13761657
Li       3.88591002       6.05996996       2.03560995       0.15573056      -0.07766282       0.14494135
Li       9.06720001       9.41879996       0.01391145       0.18688069       0.75388039       0.48972299
Li       4.63771000       0.16151004       4.68720003       0.02619810       0.19551566      -0.35087962
Li       9.74843000       5.36439999       2.43297004       0.09043805       0.20961330      -0.15409151
Cl       9.06433004       2.78601002       0.67097095      -0.40387011       0.20198008       0.35263374
Cl       6.30299000      10.99759997       6.08561005       0.08857151      -1.20713272      -0.89246248
Cl       4.67911004       2.02754002       7.03503003      -0.85753893       1.13261493       0.21172724
Cl       7.17151996      10.75869997       0.83104601       2.12529363       1.26700147       0.95026008
Cl       7.52379000       2.57671996       9.25185998      -0.68352991      -0.33641628      -0.82409279
Cl       9.41184997       1.26334005       4.72999000      -0.68073962       0.67495122      -1.00301860
Cl       2.09552996       5.04926000       3.64529003      -0.41599037      -0.14528200      -1.09998952
Cl       3.89085996       4.24544005       0.54652401       2.01340924       0.69869232      -0.28906424
Cl       2.40950002       0.31707000       5.19755998       1.24131103       3.51380323       0.20982268
Cl       1.44056005       8.00568999       5.97211999       0.31012791       1.66008832       0.85006849
Cl       9.98285997       4.74818003       4.93337000      -0.34437672       0.47282002       1.04010975
Cl      10.82300002       5.77313001       9.01788996       0.45573102      -1.90456735      -1.09896904
Cl       9.32451004       7.98487005       9.88326002      -3.13567959       2.36293528      -1.24902848
Cl       2.34233000       1.19837003      10.11799999       2.48393488       0.09508376       0.25276275
Cl       4.49720000       2.19776004       3.26809997       0.43061039      -0.07812770      -0.34802488
Cl       0.81454902       2.24420001       1.62681001      -1.86647978      -1.11756112       1.16028957
Cl      11.12039995      11.10020001       0.69842905      -0.91669149      -1.34217943       0.66826539
Cl       5.69553001       7.77597998       1.99834004       0.08746486      -1.07520640      -2.00552995
Cl       2.96621005       5.10767005       6.62415000      -0.31086494      -0.52097898      -0.82258762
Cl       8.23980996       7.98137001       5.81317004      -0.10813088       0.79420309       0.69620970
Cl       7.99632997       6.03778005       3.43871998      -0.37359164       0.64816362      -1.93744155
Cl      11.09110000      10.34019998       5.47672999      -1.01611889      -0.86933244      -1.23362722
Cl       5.43318005       5.74168005       4.93253001      -0.85324917      -2.37961574       1.34077190
Cl       3.25995001       5.55726002       9.27247001      -0.74352205      -1.94378088       4.19446322
Cl       5.97392997       9.67880995       9.99076998      -1.13519301      -0.98012039      -1.12782762
Cl       8.66418001      11.40409996       8.08529004       0.02977967      -0.69482720       0.35867860
Cl       6.85002005       5.24568003      10.28390004      -0.10698254       0.92246100       0.29404859
Cl       4.16601002      10.00530004       2.82012004      -1.67398225       1.44879913       0.40171999
Cl       0.33519400       0.18341988       8.13240995       0.56574639      -1.01865655       1.09778961
Cl       0.42000101       2.98192999       6.85624997       0.74896648       0.92909335      -0.14022712
Cl      10.74519997       7.38294995       1.37771997      -0.04632249       0.03547857       0.91336346
Cl       1.99286000       8.46866003       9.76002005      -0.19808978       0.35997694      -0.22811315
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.0370497 stress="-0.010788434124927658 0.001212859677748707 -0.001046006169509074 0.001212859677748707 -0.016502446532266863 0.0009507456295545016 -0.001046006169509074 0.0009507456295545016 -0.004735646214966914" free_energy=-226.0370497 pbc="T T T" config_type=melt 
Li      11.26540005       2.91565005       9.62999000       0.70026760       0.09196253       1.43414140
Li       7.16017995       5.03629000       7.25838000      -0.64351446      -0.18409342       0.01805215
Li       2.18753998       7.84122996       7.09026000       0.02124420      -0.16120321      -0.11912023
Li       9.32764002       1.88704997       5.42562005       0.09477479       1.58522824      -0.16418612
Li      10.96680004       7.44644005       9.55000005      -0.02123685       1.85064264      -1.01410969
Li       3.97326004       1.43948997       0.64768196       0.36831239       0.41284897       0.63998006
Li       1.86442005       3.02915995       3.06298004      -0.61327394      -0.00660583      -0.24553802
Li       4.40650998       4.37828996       5.77404004      -1.19077885       0.25779317       0.77542166
Li       5.34158000       8.26934997       7.03987002       0.62202169       7.63406212       1.60268164
Li       1.56099002       6.93972001       4.07776005       0.00070602      -0.49455834      -0.22811527
Li       2.27343002      10.39460005       8.72203002      -0.16825260      -0.11780630       0.20673755
Li       0.29296498      10.24690000       5.02912001      -0.47305371       0.09774373       1.02358145
Li       6.59905996       0.99877404       9.79877997      -0.33547381       0.44630428      -0.94392665
Li       0.99715299       3.91466003       6.17004998      -0.35621263      -0.31663592       0.37547410
Li       2.11587998       5.37692999      10.23899996       0.30353876      -0.13156004      -0.01626229
Li       8.91236998       0.71831499       1.67372998      -0.11318663       0.29574674       0.28106765
Li       6.48619000       2.92582999       2.68151002      -0.23938416       0.43502633      -0.46850229
Li      10.16179996       8.44901003       2.03184004      -0.92155618      -1.11974511       0.93147341
Li       6.02342000       9.84647998       2.71535005      -0.12489143      -0.09151709       0.03215395
Li       3.72337003       2.22344003       8.59638002       0.35345075       0.27597475      -0.22819118
Li       7.55188999       9.48835994      10.82010001       0.19254223      -0.06435293       0.24302821
Li       8.23917002       9.51414001       6.23669000       1.08274425       0.05637548       0.35519210
Li       9.54153001       0.69809498       8.29448999       1.89150343       0.95870163      -1.56458358
Li       0.42813801       0.18903600      11.40600005       0.48734316       0.04935881       0.03759760
Li       1.76421995       8.78953996       0.45422498       0.48756090      -0.13319353      -0.10101718
Li       3.16433001      10.23340000       4.19182001       0.66663755      -0.07535763      -1.53888372
Li       5.45179002       7.01881999      10.17589999      -0.64196840      -1.60480834       0.41158410
Li       6.47476000       6.53055000       3.73676994       0.92246623       0.21097557      -0.01255627
Li       3.89576002       5.59071004       1.45429999       0.57911070       0.02967185      -0.20214452
Li       8.36641998       5.09646004      11.19279998       0.18491519      -0.22504648       0.60388352
Li       4.99140001       1.00288995       5.53366997       1.29878122      -0.85149268      -0.56961713
Li      10.21609995       4.66854994       2.70696003      -0.94013361       0.37720164      -0.90362023
Cl       8.71254998       3.51119006       1.61972004      -0.20041479      -0.74833474      -1.09880911
Cl       8.37814003       9.81310998       2.07692997      -0.90876611       0.63571861      -0.24209285
Cl       3.98366995      11.20640005       2.48863004       0.84323428       0.18243644       0.46211560
Cl       3.50465003       2.29358996       6.01347004      -1.36048598       0.61316521       0.30855771
Cl      10.34639997       3.18614997       7.92033005      -1.40090400      -0.20293557      -2.21757974
Cl       9.33279998      11.37780640       5.65931997       1.20450657      -1.75306278       0.75645118
Cl      11.24669998       9.65430001       0.83881994       0.69812073       0.31653661      -1.43286841
Cl       3.78422003       3.41157005       2.08482003       0.98877012      -0.92857584       0.25205702
Cl       5.23699997       6.62831004       6.74298999      -0.58566315      -6.99155743      -0.31506848
Cl       2.64260999      10.16040005       6.06725998       0.57272700       0.60620794       3.20331128
Cl       6.33344005       9.72474996       5.55168001      -1.20091674       0.24445203      -0.49889016
Cl       0.24589402       1.33783999       2.08465999      -0.13026257       0.08217234      -0.22307729
Cl      11.38139999       5.65022994      10.18579997      -0.75122432      -2.06009216       0.97643688
Cl       3.27530000      11.28569997      10.91590001      -0.75531388      -0.66146764      -1.31854092
Cl       0.13541986       4.44078003       4.13540004       0.32039331      -1.09867258       1.18950680
Cl       0.11991992      11.19660807       9.04571996       0.04517727       0.49750251       0.29450929
Cl       6.42710998       1.32085004       0.33653601      -0.08243812       0.14580015       1.31274158
Cl       7.66892997       6.81447998      10.00970003       1.65354780      -1.29022523       0.14773364
Cl       5.90691001       8.84431996       9.49128001      -1.38222566       2.66548773      -1.16481669
Cl       1.41902004       9.14079003       3.62937005      -0.69149940      -1.12471371      -1.55632780
Cl       5.11214994       7.50573995       2.53523004      -0.74797957       0.66342517      -0.74112919
Cl       8.61460995       6.37179999       2.67616995       0.50647314       0.93144879       0.12384892
Cl       1.99408003       7.85018998       9.36212996       0.66956898       0.56077475       0.81076714
Cl       1.93248004       2.96500997       9.54405995       0.18552124      -0.02624852       0.11222919
Cl       1.82914996       5.77186997       1.93545995      -0.83680593       1.18870060      -0.29915697
Cl       8.30489004      11.21569999       9.41859005      -1.10715382      -1.32355287       1.13283948
Cl       0.12331989       8.49589997       6.87814995      -1.57852399       0.00511579      -0.29581139
Cl       7.51830996       1.83881000       4.21525999      -0.65462152      -0.44656123       0.05989511
Cl       6.10111996       4.74250005       4.75510996       1.48728544      -1.16626205      -0.93665458
Cl       5.97856005       3.01036002       8.27051004       0.31866077      -0.38035909      -0.04015645
Cl       2.04329996       5.77708002       6.04711002       1.05147298       0.42870194       0.34570695
Cl       4.33119000       4.92312999      10.59669994       0.35473612       0.94733324       0.24059606
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.0722066 stress="-0.01435977794290381 0.0026927479055622486 -0.0025065456254097403 0.0026927479055622486 -0.014169477718795084 -0.004650070974247486 -0.0025065456254097403 -0.004650070974247486 -0.00844424688536811" free_energy=-223.0722066 pbc="T T T" config_type=melt 
Li       1.56261004       3.82080999       1.44568000       1.37588432       0.75490605      -0.35798579
Li       2.01595995       4.27337002       8.56718004      -0.26670350      -0.27256057      -0.39837744
Li       6.63739996       5.38844001       6.38708004      -0.21886873       0.36326284       0.24448548
Li       7.85910999       0.57486096       4.16922001       0.58018246      -1.19352061      -0.02234273
Li       4.28133001       6.01065006       1.15969998      -0.21577967       0.23613244       0.23497889
Li       2.77727000      10.08140004       0.94219404       1.06361200      -1.02104116       1.65479610
Li       4.49029999       1.04292998       0.47117595      -0.89043249      -1.45138059       0.57587925
Li       8.39887994       7.39990000       3.82238003       0.06766688       0.52931355      -0.22727687
Li       1.56930999       9.61693998       9.23972997      -0.16375964      -1.81063747      -3.04743181
Li       3.87652995       6.40216004       7.97857994       0.08922675       1.85146343       1.05030035
Li       4.11529995       2.04973005       3.92624996       0.26030320       0.41237477      -0.50527439
Li       8.95323005       3.36662995       5.01376005      -0.08427072      -0.71966536       0.59704566
Li       9.57704005       3.49885002       8.65912999      -0.67763882      -2.56560429      -0.78315427
Li       0.74538697       1.69975997       6.27541004       0.76753750       1.48780227       1.28351485
Li      10.34980005      10.84770004       7.33861998      -0.77064132      -0.54733054       0.06135578
Li       0.34961698       0.78330599       3.35323005       0.10553355      -0.56203920      -0.89047085
Li       4.44259001       3.87474003      10.25179994       1.55031171       1.61735822      -2.48437932
Li       7.08929998       0.63087096       8.88348996      -1.01968117       1.52443890       2.06403762
Li       8.08032004       1.32675999       0.73043503       0.50199844       0.05853288      -0.16671593
Li       3.62499000       0.59015202       7.56745997       0.63050722      -0.77216421      -0.21711614
Li       6.70956003       9.54092000       6.39888996       0.05190946      -0.29011741       0.33842519
Li       5.56499004       8.84134005      10.03169998      -0.92192522      -1.56387714      -2.12329450
Li       9.85618999       4.45254995       2.40466003       0.72095120       0.69980896      -0.04889048
Li       0.64590499       0.96078704      10.76800002      -0.17028965       0.97739303       0.00150606
Li      10.20109997       7.13620998       7.29988000      -0.06103224      -0.78605495      -0.51791842
Li       0.90919204       8.91807999       4.92489996      -0.36251357      -0.13862714       0.63111687
Li       0.02290368       7.24140002      10.02750004      -0.00128209      -0.92568934      -0.04620872
Li       6.54180001       4.28700999       3.12586998      -0.44270068       0.13638733       0.07658315
Li       2.44617999       5.62071997       4.55127001       0.52446702       0.02832747       0.06544704
Li      10.60260004       9.14673001       1.34674005      -0.15303342      -0.59181528      -0.00920202
Li       6.39694000       8.80397005       1.82929006       0.10477092      -0.42129169       0.22423708
Li       7.59448002       5.92473995      11.06480003       2.59828350       0.04774558       0.34291471
Cl       3.86728997       4.30907999       3.15143006      -0.09585825      -0.73937967       0.05477300
Cl       1.64089995      10.55069998      10.87250003      -0.93905609       0.89204088       1.39413529
Cl       3.91578995       4.90229996       6.69175004      -0.19499370      -1.53452592      -1.10052830
Cl       6.63782998       9.20815001       4.05078001       0.13631844       0.79158133       0.42083389
Cl       7.99714004      11.34600002       7.41335001       3.83583350      -0.55645783      -3.18331990
Cl       9.15643005      10.71880003       1.23276997      -0.76878167       0.91346548      -0.00026924
Cl       5.55876998      10.74650002       8.25101996      -3.06960199      -0.63834229       0.11428406
Cl       2.77761003       1.54742995       9.13946005      -0.70022967       0.84027542       0.40544622
Cl       7.19514005       3.67867000       7.57658003       0.63715006      -0.74034382       0.25315420
Cl       9.90859998       8.77874004       5.69716000      -0.19381906      -0.30165601      -0.41861039
Cl      10.67119999       8.64812004       8.65481999      -0.80372269       2.22698913       1.94378379
Cl       2.90345997       0.96512902       2.14146997       0.54074203      -0.56729415       0.33851134
Cl       0.98622501      11.20280004       6.73229003       1.16896857      -1.39534669       0.20555350
Cl      10.83299997       1.89663995       4.88387996      -2.44681777      -0.03182958      -1.41895783
Cl       9.79697997       6.77512998       1.59436999       0.69725448       0.19285929      -0.44179589
Cl       0.07201184       9.82677999       3.17251000       0.94590773       0.77630010      -0.13088929
Cl       0.09777380       2.43981995       1.65247005      -0.99130213      -0.23409179       0.14063777
Cl       5.70741996       5.71882004      10.95660004      -0.43999828      -1.42202678      -0.89968941
Cl       3.81461000       7.62214997      10.88230004      -1.73904944       1.83906406      -0.65443593
Cl       0.50532999       3.96338001       6.71168998       0.49672630       0.15987643       0.49835330
Cl       6.11429001      10.00240003      11.45318095       0.45406870       2.10951682       2.04113205
Cl       8.12204005       3.47678999       1.85274001      -0.28282956      -1.25243098      -0.73601591
Cl      10.17199996       1.75651997      10.10749997      -0.62999204      -0.08898115      -0.43901696
Cl       2.72398002       7.20941995       2.41346999      -0.60475141       0.22139446       0.88845197
Cl       6.07856995       7.32186998       7.68923000       0.22601848       0.41117345      -0.19090572
Cl       2.76831995       4.35579005      10.87559997      -3.96216028       1.12274436       1.14764944
Cl       8.76077998       5.43500998       4.76626000       0.10834424       0.00925172       0.43577993
Cl       5.38293005       2.51501004      11.05849995       3.54755253      -1.97287123       0.89035951
Cl       6.78298003       6.41207996       2.40998003      -0.81365609       0.53640032      -0.14018180
Cl       1.48999001       7.34409005       7.62595004       1.41418244      -0.44128468      -0.26863415
Cl       9.91550996       5.29318996       9.12327994       0.59565949       3.37061386       1.14353092
Cl       6.50597001       2.12615002       4.44382002      -0.70070007       0.41148471       0.10629615
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.56593095 stress="-0.025146984943446755 0.008871096753929117 0.005571505503271416 0.008871096753929117 -0.019009113948244175 -0.0007624963778275599 0.005571505503271416 -0.0007624963778275599 -0.015975718773888627" free_energy=-220.56593095 pbc="T T T" config_type=melt 
Li       1.78993995       2.26733000       2.80936001      -0.01624661      -0.14405556      -0.29658674
Li       8.22296996       7.25507003       0.56775701      -0.13941282       1.84952324       4.98259450
Li       8.07139006       9.76336005       4.21403996       0.48222276      -0.56900525      -0.82081561
Li       2.46302996       1.57339999       6.50976996       0.35394488      -1.39108862       0.48417422
Li       5.56953001       6.92456997      10.17629998       0.07661660       0.69418747      -0.75244876
Li      10.97340002       9.77315994       2.50908002       0.72157600      -0.36363514      -2.83784859
Li       8.68356003       4.28501005       3.76003005      -0.25121956      -0.21290938       1.41482579
Li       7.67902003       4.69489004       8.50357003       0.22571819       2.13817108       0.43925653
Li       0.89651496       0.03877231      11.33701913       0.26479691      -0.29266570      -0.22083692
Li       5.21140997       4.41258994       5.37683999      -0.64080691       0.16043814       1.02815275
Li       2.15312995       9.12962003       4.49910995      -0.03025365       0.26103882      -0.36860694
Li      10.86109995       8.53822001       9.93715005      -0.67837430       0.45576844      -0.07352838
Li      10.99700005       0.83174797       4.55447004      -1.42135022       0.38764431       0.56580154
Li      10.49529999       4.13410997       0.15175096       0.61907927      -0.18872731       0.50950369
Li       2.79604998       3.91207002      11.32520003      -0.48755964      -0.25398701       0.44091053
Li       4.80645996       0.75002198       2.27261996      -0.17918825       0.00638112       1.24774427
Li      11.01900000       4.37097002       7.05205999       0.82288307      -1.23669141      -0.36771105
Li       2.69397994       6.12176002       7.90679005       0.08450066      -1.26615342       0.43255168
Li       5.45140998       4.80467004       2.06855004      -0.80218751      -0.95688854       1.85986814
Li      10.01800005       7.73772001       5.76160003       0.44007437       0.50310666      -0.81775761
Li       1.57200994       5.29966005       4.08367998       0.07981036      -0.03692164      -0.12969075
Li       3.27616005       9.81537005       8.36359002       0.36751278       1.10978132       0.80919411
Li       7.62732002       2.57253997       0.29062500       0.43596590       0.52619759       0.19033982
Li       3.63449997      10.10089998       0.75306299      -0.17739475       0.09032919      -0.66501194
Li       6.05142999       0.68869805       6.16954005      -0.07416938       0.96031272       0.35448972
Li       4.74080999       8.10171996       5.91626005       0.03999643       0.06174313       0.51479421
Li       7.54253995      10.88930001      11.43230002      -0.68631915       0.09851363      -0.52987527
Li       8.98644000       1.32104997       8.45415004       0.69866666      -0.54205563       0.37177692
Li       5.07272004       0.86461995       9.36800002      -0.96586805       0.21023637       0.23379749
Li       8.08676996      10.07549995       7.67617998      -1.17265411       0.24040381       0.00365266
Li       1.36938005       7.15142996       0.83783596      -0.03828473      -0.27060888       0.59763570
Li       5.54975000       7.96293006       2.59249997       1.13954878      -1.13223846       0.11105607
Cl       4.89877000       6.10518004       7.53240002       1.26256105      -0.75280640       1.23619619
Cl      10.50039999       9.87646996       4.31141996      -3.20938778       0.09445191       3.90767672
Cl       2.85388005       0.44390701       1.72002996       1.21751108      -0.05135144      -0.55925630
Cl       5.13399994       6.47458001       4.58543999      -0.20377599       0.71991714      -1.40664696
Cl       7.56005003       2.80022000       8.12843998      -0.55017377       0.85210704      -1.81544287
Cl       8.27444997       7.93230002       3.00913002      -0.85825502      -0.54314921      -0.40065948
Cl       1.77045996       4.52756005       9.30751998      -0.17132607       0.34224872       0.07532890
Cl       1.25795998       9.03505004      11.04239997      -0.13164299      -0.68764378       0.35572408
Cl       9.39850005       9.80214004       0.26310397       0.61677726      -0.24015123       0.14975850
Cl       5.70392003       5.65844995       0.35831986      -0.13828447       0.31098361      -1.05070199
Cl       3.19349995       4.08719997       2.26487996       4.33161970      -2.27131342       0.66464298
Cl       1.16559995      11.41960001       3.79477003       1.82679196       0.42609740       0.74021252
Cl      10.48259998       3.06955996       4.71667000      -0.20017164       0.10703711       0.43275494
Cl       2.07965996       3.36323997       5.81627995      -0.53702011       2.27465376      -0.89146549
Cl       9.80256995       6.01572999       7.09607995      -0.66711275       0.79679247       0.20449887
Cl       6.32515997       3.78393995       3.75940995       1.18583923      -1.44169389      -0.08622493
Cl       9.51313001       2.51708003      10.52550000      -0.06419285      -0.50471113      -0.49239602
Cl       4.03851002       9.28186006       2.73179006      -0.84341599       0.07760479       0.86233091
Cl       1.09657994       5.18203000       1.92115001      -4.30439337       1.99449460      -2.19974426
Cl       7.77039997      11.16160005       5.63499999       2.04491537       1.15655034       0.13284053
Cl      10.05960003      10.55820003       7.84728000       1.55076926      -0.22605407       0.62000603
Cl       8.97064005       4.20427996       1.80082001      -0.16184752       0.15229456      -1.73220078
Cl       0.60502497       7.58578000       3.70789005       0.84808838      -0.51109932       0.53111475
Cl       2.77321004       8.10992998       7.35231005      -1.37958404       0.91786683      -1.07691139
Cl       2.86780996      11.44149999      10.07469997       0.59772831       0.19600346      -1.31185525
Cl       0.83447199       1.98445003       0.66027203      -1.23711742       1.75236869      -0.25882327
Cl       4.51645001       1.72517995       7.24753995      -0.36938225       0.47949750       0.43898043
Cl       5.17846003      10.30880000       5.86953004      -2.28902672      -1.82744112       0.12997337
Cl       7.05499003       0.30541989       9.01959000       0.39752317      -2.61614325       0.78979593
Cl       8.27754005       6.62097004      10.38289995       0.67803745      -1.70097546      -5.37374464
Cl       5.93514000       1.14887999       0.64686203       1.14924983       0.23715941      -0.99115202
Cl       5.31995997       9.16235995      11.02800003       0.51707470      -0.40974070      -0.33601177
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.99066292 stress="-0.018914091372066538 -0.002016995022924754 -0.005746626701744468 -0.002016995022924754 -0.028077281890144034 -0.0007812393488646767 -0.005746626701744468 -0.0007812393488646767 -0.016292780403302714" free_energy=-221.99066292 pbc="T T T" config_type=melt 
Li       4.54897005       1.97558000       5.33929998      -0.01615673       1.16032052      -0.41354844
Li      10.30990000       2.09472001       1.90519001      -1.20438081      -0.98051484      -0.25323497
Li       5.62343001       3.39910998      10.38020000      -0.56901795       0.28567630       0.48303443
Li      10.85449996       9.93236005       3.37949001      -0.00591784      -0.94476783       0.63382756
Li       1.09167002       6.60427999       6.04060003      -0.79441535       1.77969461       0.75299972
Li       1.77734999      11.13339999       4.75395000      -0.36849490       1.31816714       0.92025181
Li       0.43221001       9.46757004       8.34728999       1.95338496      -0.44476354      -0.31536911
Li      11.41490000       6.46622003      10.86689996       0.30135416       0.59426804      -0.07706476
Li       7.85136003       4.06682003       4.47738995      -0.28810689      -0.55106600      -0.16363391
Li       2.74085005       4.96867998       3.06836000       0.10110724      -3.12732159       4.49207140
Li       8.86404998       3.51591999       7.63898997      -0.55711232      -0.83427383       1.44923743
Li       0.36528601      11.15650005      11.23389999      -1.47468132      -0.23108904       0.12733924
Li       5.45703000       6.68183000       2.23230994       0.32432258       0.15360373      -0.28151555
Li      10.34599998       0.17314502       6.14076998       0.25910533      -0.41790535      -0.25239188
Li       2.38311005       8.18545001       1.10785002       0.24899106       0.56863250       0.06407539
Li       0.79544105       3.06572000       5.03325002      -0.95259958      -0.97316181      -0.72222547
Li       4.76546002       8.16306004      10.06070002      -0.39166320      -0.31956541       0.55217492
Li       7.66688004      11.11660000       3.22552003       0.60427666       0.37736333       0.57718018
Li       4.09039999      11.12069997       1.89802999      -3.59598563      -1.04499758      -1.70785597
Li       6.55354001       0.00902010       7.05677994       0.83161452      -0.26671805      -0.51415006
Li       7.88970999       8.28785997       5.16339998       0.46980199      -0.10748827      -0.87665919
Li       8.04264005       8.77494994       0.65219602      -0.48753369      -0.24862349       0.45587944
Li       5.93717996       2.46134001       2.19812002       0.61152372       0.15890678       0.53272086
Li      10.42750001       5.16827998       3.50013998      -0.13646870       0.66565690       0.40766432
Li       0.84075304       3.40704005       8.10618002       0.67991702      -1.02361592      -0.88886206
Li       8.40207997       0.52694795       9.99999999      -0.14712788       0.41865565      -0.36973467
Li       4.94849998       6.27638003       6.56083003       0.25315774       0.04692358       0.18101715
Li       8.22292995       5.17653002      11.27830000      -0.02161154       1.95449787       1.48246768
Li       2.73694004       2.99886995       0.11909106      -1.57824798       0.61571806      -0.92199107
Li       8.43257002       8.43889005       8.50315995      -0.87680833      -0.91555440       0.01923247
Li       4.09070999       9.54552004       6.61015005      -0.56068030      -0.57294586      -0.00639362
Li       3.85057000       1.00872997       9.56078003      -0.37627307      -1.56136834       0.45212149
Cl       9.52741003       4.06670998       5.82206999       1.14221707       0.35430544      -0.78892567
Cl       2.51395005       6.01874005       1.68641005      -0.49217022       2.94192425      -4.08155118
Cl       5.75436997       0.08815401       2.46407000       2.57079885       0.52399680       1.21058805
Cl       3.82124999       2.99731001       9.28437004      -1.49945737       1.83135490      -1.06636249
Cl       4.44484997       0.18630304       6.21075001      -0.06520959      -1.05691613      -0.12493453
Cl       5.83062005       5.51426003       0.48229802      -0.71313501      -0.09424974      -1.64166400
Cl      11.21342708       0.58649297       3.38632994      -0.34029010      -0.25185666       0.19230254
Cl      11.41469994       7.34960999       4.43176005      -1.74340469      -1.26834652      -2.05560669
Cl       8.21319002       8.97378997       2.89802005       0.21030964      -0.81504220      -1.54863774
Cl       0.78994702       9.57675997       5.67170999      -0.37228216       1.12493148       2.16265749
Cl       0.15301696       3.48132996       2.60704998       1.17465737       1.50847730       0.06193344
Cl       5.68108995       3.85368003       5.00693995      -0.93172648       0.24256886       0.37972183
Cl       7.59265995       5.09964998       2.64366998       1.18694783       1.29686634       0.25715369
Cl       5.09119003       8.57458001       0.69047399      -0.10552836       0.57451575       0.57469529
Cl       5.39592997       8.72328995       8.19131995       0.08096428       0.75631671       0.18940707
Cl       2.51177997      10.25569998       3.14591998       0.86593010      -1.21214512      -1.82876947
Cl       4.49367003       2.41337999       0.72119000       0.63223193      -0.61478342       0.75333921
Cl       8.48361003      10.30129995       5.37575994      -0.16353415       1.52174327       1.00656661
Cl       1.44782003       1.44480000       6.32967002      -0.32866297       0.43329355       0.66542137
Cl       7.90189996       2.09152996       2.96665005       1.59343732      -0.40768485       0.32593809
Cl       5.85597995       0.51021996       8.96957994       1.01172255      -0.02869425       1.40626596
Cl       7.40381001       7.21504995       6.85588001       0.28258668      -1.62319005      -0.05861297
Cl       1.62255997       4.87750995       5.36632003       1.65393918      -1.81272531      -0.59307293
Cl       9.52478998       7.76578995      10.87220001      -0.90690007      -0.83406314       0.11756800
Cl       2.32253005      11.10631413      11.07240004       2.77549707       2.05906509      -0.22542743
Cl      10.25000005       1.27254999      11.16369996       0.00203066      -0.16026550       0.22305377
Cl       0.34126903       4.95263996       9.30834999      -0.39714975       0.52927127       0.53430407
Cl       9.97259004       9.72500997       8.40498994      -0.57991601       0.37095782       0.24725855
Cl       9.08965005       0.89686301       7.85195995      -0.49169034       2.04698547      -0.20512020
Cl       7.66276998       3.58141003      10.34569996       1.22477116      -2.03884304      -1.91371682
Cl       1.10161998       8.68590998      10.70039997      -0.45332633      -1.68585077      -0.21175447
Cl       2.96448995       7.39277999       6.68580994       0.94106895       0.25573857       0.21731682
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.27764763 stress="-0.0041263369182724255 0.0005226260008599422 -0.0022388877127721973 0.0005226260008599422 -0.017234371530282663 0.0054511561750533325 -0.0022388877127721973 0.0054511561750533325 -0.010777893052376265" free_energy=-225.27764763 pbc="T T T" config_type=melt 
Li       5.96961997       5.60559996      10.96250001       0.29214786      -1.84616655      -2.04819508
Li       2.67808999       4.80089004       3.50659001      -0.39598334      -0.24475769       0.15660307
Li       7.60428003       3.54714995       7.22445994       0.94468340      -1.30401767       1.44728115
Li      11.27589996       0.49912002       0.11576802       0.10107174       0.06749913       0.42522021
Li       7.81668998       6.75125000       7.61337005      -0.39855687       0.19281302       0.01836117
Li       2.01277999       0.13321986       5.61797003      -1.45851241       0.57789205      -4.16618404
Li       5.45306003       9.64397998       6.73142001       0.80973584       2.58911288      -2.17335002
Li      10.80140005       9.70210995       4.04458999      -0.05957072       0.51497188       0.52613067
Li       8.37555999       0.11930704       5.72150005      -0.61135934      -0.35736103       0.09505482
Li       3.71264004       2.54554996       1.48611004      -1.02299558       0.68484612      -0.74149428
Li       1.58249999       6.10941001      10.28669996       0.66546868       2.00248858       0.54286080
Li       2.75586997      10.25520002       2.32308996      -0.10693108       0.60647455       0.51029560
Li       5.03822001       0.61260905       4.38035995      -0.08520286      -0.38879901      -0.15085076
Li      10.38059998       8.99848999       8.21297999      -0.24806358       0.26035922      -0.35538604
Li       3.36805003       6.87562001       1.16649004       0.42486827       0.07442940      -0.10995204
Li       3.23560000       2.29907998      10.16459999       0.89142892       1.45942495      -0.98121957
Li       4.63890996       5.26345001       6.48760996      -0.08808147       0.11424517       0.15356601
Li       5.59172004       0.52651002       8.96539995       0.01406357      -0.28361573      -0.55385035
Li       6.61962000       8.88568996       2.45579004      -0.17783656       0.37611080       0.24898800
Li       6.51635000       5.36381004       3.01007995       1.27195822      -0.23664015      -0.29429488
Li      11.10160002       4.76759995       7.95863003      -0.03111697       0.18442449       0.12034905
Li      11.37959999       2.22591001       4.62618003       0.99187735       1.20843942      -0.11126338
Li       9.01947994       2.04170001       2.89547005      -0.24664132      -0.58546295       0.00966201
Li      10.80959999       6.78149999       5.07920000       0.05236599      -0.19591698      -0.56186582
Li       1.79503995      11.02440002       9.11600001      -0.21988133      -0.03997048       0.78507330
Li       7.45929002       0.49388199       0.60977199      -0.58605462       0.16995021      -0.84319164
Li       0.59090201       3.83310005       0.65159701       0.16878329       0.06063088       0.78431482
Li       9.27606005       7.00624001       0.44077898      -0.22894590      -0.29364702      -0.03095850
Li       0.44594204       8.66809999       0.21712704       0.76535759       0.32620456       0.60759037
Li       9.12509004       3.23432001      10.56279995      -0.26424994       0.84742216      -0.96775146
Li       3.26215001       7.63528999       4.96586000      -0.40483669       0.49120610      -0.16383339
Li       5.01355003       8.65333996      10.23330003      -0.42588763      -0.37297429       0.11223419
Cl       9.64599998       3.12361003       8.24980005      -0.54875053      -0.59631125      -0.33645075
Cl      10.43899994       0.60197605       5.23646000      -0.83560647      -1.52365842       0.41040757
Cl      10.88729995       3.15596005       2.82158999       1.29290041       0.83875683      -0.56357992
Cl       5.71936001       6.88218996       0.90859395      -0.14104982       1.67309722       1.25015667
Cl       8.09577997       3.86310000       2.27018999      -1.94436874       1.57546899       0.09258626
Cl      11.14130002       7.79395001       9.86506002       0.15620670      -0.88074356       0.44145665
Cl       9.27309997       1.81648996       0.60081701       0.93522150      -1.54627813      -0.90066633
Cl       0.64101101       4.45192996      10.01950004      -2.03999697      -2.24131484      -1.03257037
Cl       1.71891999       9.55638004       5.29783998      -1.71338499      -1.68150443      -0.07797443
Cl       2.06466996       2.12928998       4.38175000       0.83662710       0.16577881       0.18678765
Cl       2.48262000       0.98458000      11.42385154      -1.46597502      -1.92843491       0.31831884
Cl       8.44919002       5.87710002       9.87474997      -0.95353107      -0.02204006       0.66101343
Cl       4.28468996       9.58000998       3.93763995       1.47122701      -0.06208203      -0.03401381
Cl       5.82474999       1.17287003       6.30818997       0.80860411      -0.54667356       0.75768952
Cl       2.99240994       3.96954997       0.31466697       0.23174974       1.35022763       0.68349349
Cl       8.28236995       7.50313000       3.09643006       0.63215906      -0.15918144      -0.43288255
Cl       8.26419999       9.26922997       6.15557002      -0.04641364       0.44194442       0.41693983
Cl       3.52997004       5.74394997       9.44286005       1.23911605       0.45415350      -0.82851411
Cl       1.24154003       6.48184997       1.32328998      -0.90078773      -0.23019829       0.28027192
Cl       5.11811997       8.13205994       7.77025001      -0.40481860      -2.53257359       1.57329700
Cl       7.51212005      11.25670004       2.57427005       0.36375763      -0.65959304       1.18264413
Cl       3.06249006       9.06717995       0.59730298       0.36687202      -0.35336244      -1.37380142
Cl       1.33875002       5.76178002       5.19459004       0.57073933       0.09076392       0.01110565
Cl       0.30631995      10.06360003       2.15564005      -0.23710571       0.28528871      -0.78986070
Cl       4.60403001       1.22616001       2.41676001       1.58089129      -1.94136922       1.07219168
Cl       9.89425003       6.53218996       6.98232999       0.39070481      -0.04474659       0.09970336
Cl      11.10539711      10.85889995       9.67237001      -0.20204074       0.28325510      -0.30128939
Cl       4.72238001       6.07284997       3.86445004      -1.72504725       0.09119990       0.59621895
Cl       6.19620998      10.45470005      10.48350004       0.39086178      -0.06758185       0.03518991
Cl       2.58092002       0.22941996       7.30599998       2.19856488       0.83096885       4.71979839
Cl       6.66366004       4.57523002       5.85455998      -0.52911654       1.19576484      -0.64159218
Cl       5.95167000       2.29041997      10.00729998      -0.11131211       1.08136290       0.23398107
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.26089849 stress="-0.007423195149397102 0.0033418276864672623 -0.007977005627268732 0.0033418276864672623 -0.01383516947022474 0.0002794604815644056 -0.007977005627268732 0.0002794604815644056 -0.019104910047130805" free_energy=-224.26089849 pbc="T T T" config_type=melt 
Li       4.60764997       6.08423996       7.64721995       0.09142198       0.18756022       0.47715422
Li       7.33290000       2.97137001       1.00807994      -0.59134418       0.68260750      -0.02117059
Li       7.93985005       4.66351999       5.71300994       0.00816450       0.00609642      -0.59837201
Li       0.78327195      10.17570005      11.37510003      -0.40874712      -0.24732819       0.17924565
Li      10.95939996       4.75790999       7.87105004       0.07101648       0.88917983       1.16983010
Li      10.49590003       1.95743996       6.48438002       0.00692651      -0.74467290       0.00721122
Li       7.46546995      10.90799997      10.59559995       0.85506449      -0.32094152       0.64662840
Li      10.44750002       9.34027996       8.61768994       0.90756805      -0.55192285      -0.14776772
Li       9.14120996       7.65133998       0.48137904       0.82348195       0.69088268      -0.06943283
Li       4.20939005      11.04010001       1.77519998      -1.01447116      -1.80912729      -4.08370221
Li       2.77248997       3.45072996       7.20408998      -1.43476025      -2.07632653       0.23413325
Li       1.71272997       0.16042105       5.82742002       1.80728495      -1.38220841       2.23692267
Li       5.26915005       1.38979003       4.75918998       0.38598275       0.94388007       1.58472761
Li       9.35564003       7.95417994       4.97143003      -0.12290417       0.11339806      -0.08161409
Li       1.43193994       6.51089002       5.73828994      -1.63028197       2.10639816      -1.40318895
Li       1.73065999       3.10083005      11.45799996       0.52271195       1.36648404      -0.11273215
Li       4.58341998       4.71346000       4.54700003       0.62252699       1.18917798       0.00094990
Li       4.05249003      10.21120000       8.83691002      -0.32200830       0.33666661       0.25938099
Li       1.53316002       6.22152001       2.17003001      -0.49573903       0.25875328      -0.40728913
Li       7.79465002       5.14976998       9.93713996       0.02704359      -0.32199680       0.53123107
Li       7.24993002       6.62948995       2.68774005      -0.75079126       2.63344185       0.39720306
Li       1.10819005       3.82626997       4.21618997       0.34298106      -0.64217680       1.19289539
Li       0.69266596       1.31106997       2.46248002       0.07875648      -0.04842466      -0.96947999
Li       7.41080998      10.58960000       6.41922003      -0.08778815       0.62372957       1.75886028
Li       1.05388995       9.22741000       3.41346005       0.68684190       0.12532845      -0.39624650
Li       6.11527995       2.24556999       7.93950005       0.04139983       0.09054507       0.09928750
Li       1.98450999       7.38021996       9.36264001      -1.41280648      -0.06606746       0.31799368
Li       7.32977999      10.88740004       2.88569997      -0.74568727       0.63379201      -1.75340176
Li      10.35140000       4.69375004       1.12829003      -0.06505025       0.20873016      -0.68938157
Li      10.22830000       1.64366995       9.74367003       0.15219546       0.00353826       0.07657831
Li       4.92766996       9.45949999       5.36518002       0.23116197       0.21925978      -0.57089769
Li       3.99072003       7.85458997       0.35207400       0.07554431      -0.27787100       0.36258595
Cl       0.69403697       3.98583005       2.20639998      -0.39824047      -0.50930059       0.28103100
Cl       9.58428994      11.23836808       8.10211994      -0.00258187       0.86793460      -0.21969322
Cl       0.05514846       7.29566000       3.91449002      -0.63392585      -0.23092287       0.87350724
Cl       2.33155003       5.40801000       6.98544002      -0.14888509       0.39621812       1.13962866
Cl       0.23381995       7.29667000       7.89885998      -1.16112465       0.25957683      -0.36724361
Cl       7.15317001       7.10148995       5.24239999      -0.06498000       0.66890549      -0.02573307
Cl       0.31871604       1.60258999       0.09191991      -0.66585975      -1.23382057      -0.09382285
Cl       4.62022995       4.05496001       6.94429002       4.11955872      -0.72142211       0.06167743
Cl       0.77904197       1.20527003       4.56827005      -1.91362878       1.26579152      -1.83217619
Cl       2.16543995      10.75750000       1.64880996      -1.12423015      -0.30455840       0.29110540
Cl       7.63303003       1.29439999       6.22491997      -0.18337216       2.19988371       0.24863745
Cl       7.39034005       4.77537995       3.10898998       0.15658226      -3.78346640       1.70638280
Cl       2.83322005       9.63311998       5.10150995      -0.90886315      -0.21070663       0.23456793
Cl       8.20469006      10.46890005       4.61902999       1.89636536      -1.98936668      -0.51366453
Cl       3.40627997       6.94668995       2.89034999       0.86115454      -0.00899993       0.27599185
Cl       5.04161000       0.21240101       3.19296996       2.43578751       0.88864487       3.06020928
Cl       1.21534003       1.73976996       7.61514002      -0.07784497       0.13005907       0.56878000
Cl       1.63991001       5.68077996       0.03101993       1.64238215      -1.40114444      -1.91109959
Cl       1.66729003       9.85602995       9.41122001       0.33334216       0.22220643      -0.32469405
Cl       8.09739998       1.03020004       1.03799002       0.61170152      -0.73967131       0.10040079
Cl       4.04666996       7.56067999       9.41381002       1.63155298       0.17608636      -0.11445294
Cl       4.64004997       0.60288998       6.86567005      -0.30213900      -1.06828903       0.20652707
Cl      10.90380003       4.06964002       5.92411996      -0.58150198       0.23552546      -1.35741475
Cl       0.14282705       7.82934001       0.72635306      -0.77492071       1.25852682       1.00177820
Cl       3.72128996       2.92727999       4.26809003      -1.36931166      -0.50554610      -0.86627850
Cl       7.71055998       5.07419997       7.80327001       0.14048170       0.15461488      -0.20879933
Cl       5.45904003      11.40070000      10.24180000      -0.87435739      -0.13760489      -0.38921000
Cl       6.30642997       3.45296997      10.49969998      -0.05183306      -0.05570870      -0.17989443
Cl       6.44340003       9.35427005       1.53469004      -0.25574476      -0.86880724      -0.34034917
Cl      10.24490005       4.14514996       9.98951005      -0.30292280      -0.18872362       0.23968780
Cl       9.50983002       9.22847996      10.51520003      -1.08860687       0.60491492       0.20970180
Cl       7.61929995       6.22034997       0.68924100       0.40027064      -0.19121514      -1.98323050
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.82641535 stress="-0.014679673498328955 -0.0013567857387124845 0.003193190534415268 -0.0013567857387124845 -0.02484925622002935 -0.0004165118135769517 0.003193190534415268 -0.0004165118135769517 -0.01044859955055462" free_energy=-222.82641535 pbc="T T T" config_type=melt 
Li       7.33527998       7.10573999       4.14542005       0.65759653       0.41588119      -0.59027306
Li       6.66600998       3.52866001       9.21035998      -0.34662406      -0.00382451      -0.58820259
Li       1.49385004       0.50920904       8.90893998      -0.31809345       1.35369403      -0.40482071
Li       8.97976997       1.40821003      11.37099994       0.77849420       0.07326664      -0.31408696
Li       7.08529000       8.98082996       0.58798401      -0.49440506      -0.05495569       0.02079223
Li       4.19152996       9.01080997      10.20170001      -3.68189965       1.88528274       1.73000057
Li       7.83902996       1.40039999       2.79289994       0.35840290      -0.61462627       0.34162890
Li       3.06137000       6.47788000       1.71214999       0.05240526       0.07089402      -0.32807652
Li       6.09083994      11.19539996       9.03008005      -0.13168597      -0.64206189      -0.58372278
Li       4.69156001       5.22470005       5.94059998      -0.11177166      -0.61105423       0.22272095
Li       3.31243005       4.70633999      10.02280003       0.06119954      -0.26779090       0.22133663
Li       4.91906005       1.00801998       0.61599297      -0.10003064      -0.30929152      -0.69163896
Li       7.63229001      10.49859998       5.98899002      -0.99011713       0.89712420      -0.76389289
Li       2.97818002       1.78164004       3.92215996      -1.37445245      -0.75574660      -0.11851295
Li       9.38802995       5.35506004       2.25317998       0.04302796      -0.59520255       0.56594592
Li      10.11420004       5.41543002       9.47545999       0.99705091       0.42613026       0.70692095
Li       9.49762996       5.38284005       5.93798005      -2.78875974      -3.11583637       2.40627380
Li      10.15580001       9.45220997       8.45044994      -0.72398631       0.93885827      -0.40548814
Li       9.73111000       8.71140997       1.67605001       0.17497920      -0.39802475       0.31000875
Li       1.18520995       7.74824995       9.96707996       0.11591447      -0.17432984       0.01369423
Li       3.80507997       7.57008002       4.67173002       0.18571705       0.95507374       0.24442650
Li       5.29835003       1.12654001       6.05651004       0.10707763       0.30131803       0.35679220
Li       0.11477200       8.35111998       5.22195000       0.57356305       1.49823802      -0.43949117
Li       0.62961402       4.66256995       3.85910998      -0.49946945      -0.36808062       0.15822525
Li       1.75961005       6.28335994       7.23912001      -0.11031625      -0.20301956      -0.21177628
Li      10.24100002       2.19827995       8.23755998      -0.05611706       1.73002237      -0.48405422
Li       2.36290002       9.87417000       2.30031995      -0.32898735      -0.50493827      -1.92666828
Li       1.16669995       2.71951995       0.53359001       1.65885656      -0.12946426       0.58729841
Li       5.52222999       3.85840997       1.23578003      -0.39838667       0.91711643       0.17304817
Li       6.30101000       8.05136998       7.84621004       0.68642646       0.00943647      -1.75157984
Li       2.77572003      10.16930000       6.69410997       0.47191871       2.22959870       0.09163645
Li      10.84169998       0.73310001       4.93058005       0.71575206       0.09235454      -0.27067725
Cl       9.19777002       4.33449997       7.94365000      -0.79034048      -0.75550213       0.19275785
Cl       5.29932002       6.43638997       1.54460000      -1.30180555      -0.10322090       0.20493187
Cl       5.37151999      10.56620003       6.74593998      -0.73651379      -1.29445668      -0.38415510
Cl       3.16169999       4.34165998       1.09670995      -0.55959030      -1.17045779      -0.03624668
Cl       7.91449003       6.89404999       1.98151002       0.69537956       0.91485768       0.16908636
Cl       2.28481004      10.18600002       4.21499998      -0.28199638      -0.46549012       1.43742296
Cl      10.81229995       7.52943995       8.64263003      -0.03219488      -0.32621282       0.40558452
Cl      10.85589998       3.08141002      11.16909998      -2.19864285       0.08258918      -0.84599240
Cl       6.90581005       2.16520000       0.36758598      -0.68687358       1.91399645       0.22384376
Cl       6.28184998       1.56262998       8.08029998       0.73097339       1.78559578       0.28803571
Cl      10.34099995       0.26725702       8.66295998       0.22746561      -1.42062575       0.68696935
Cl       2.58778001       5.79845999       4.74580005      -0.08463668      -1.09692365      -0.42794075
Cl       0.35189000       1.98818005       3.22694997       1.03318862       0.36160365      -1.22215521
Cl       5.89464002      10.65559998      11.01879995      -0.56724060       0.95469041       0.19994893
Cl       4.71099999       4.94597004       8.24982997       0.68123575      -0.00220633      -0.07806126
Cl       2.46864998       8.22912995       0.29966195      -0.08736059      -0.26146756       0.71272311
Cl       4.81239995       2.58986995       4.55304996       0.71176732       0.80887942      -0.33423743
Cl       5.75436997       8.29795002       9.67984999       3.33353831      -3.31855903      -0.18966470
Cl       8.27438004       9.00569002       7.03415003       1.12800965      -1.46559034       1.59060405
Cl      10.82150003       6.55133004       1.35850997       1.63475072       0.27875046      -0.61435724
Cl       2.80426999       2.52540000       9.76421998      -0.19603050      -1.22067809       0.38990891
Cl      10.48839999       6.67022001       5.27361000       2.57588239       2.84060842      -1.70589743
Cl       1.38864005       0.98087704       6.02491999       0.26373158       0.14656429       1.36948196
Cl       6.10950001       7.01520003       5.88479003      -0.87781220      -0.46922707      -0.65755294
Cl       1.42980002       5.39679002       9.19193997      -0.40279200       0.25674735       0.22944240
Cl       9.64190001       9.38241005       3.72303998       0.52408038      -0.16236443       0.21514656
Cl       8.27721000      11.15410001       1.05814996       1.49277331      -0.94418033       0.97112636
Cl       8.72498001       0.53245299       5.07713998      -0.81640218       1.38842265      -0.45134309
Cl       4.07663002      10.97020000       1.83222996       0.18630898       0.85306417       0.63675173
Cl       2.47047005      10.25810002       9.42564999       0.11017726      -0.65039009      -0.55490753
Cl       9.83513997       3.78749996       4.70661995      -0.40982791      -0.63617095      -1.32278894
Cl       2.32625995       8.27521005       6.50017997      -0.48248193      -1.86868764       0.62374699
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.54053358 stress="-0.014373524966617713 0.000497869235915891 -0.0012743167098397347 0.000497869235915891 -0.013208518558605097 0.003412249042349776 -0.0012743167098397347 0.003412249042349776 -0.019565964559105368" free_energy=-221.54053358 pbc="T T T" config_type=melt 
Li       4.54418004       7.18270004       9.72733997      -0.19278506      -0.22526809      -0.52231861
Li       4.81823997       3.60046000      11.36810005      -0.20168478       0.05912306       0.38612957
Li       0.62230004       5.28337997       2.08088996      -0.44775318       1.48690855      -0.88460008
Li       7.21828998       1.80438001       7.13417003      -0.08402950      -1.17435047      -0.13931678
Li      11.38509998       1.92127004       8.39618996      -0.60937162      -0.28800711       0.41077061
Li       7.25939997       5.32759002       8.24247999      -0.21727048       0.66630445       0.47202504
Li       5.39130998       8.80435995       3.83495004       0.26155735       1.58726080       0.73818755
Li       9.65593000       6.68847000       4.38636001      -0.08671472       0.34857093       0.07757852
Li       6.80373004       1.41314001       2.28482999      -0.05643214      -0.26723873       0.03971810
Li       4.83955000       4.60069000       5.17186004       1.86936894      -0.01705504      -1.30031592
Li       6.84352003       8.76200998       0.67070899       0.13813057       0.32847872       0.37247882
Li       8.46235995      10.66219996       4.54042996      -0.10743387      -0.67711186      -1.03238189
Li       7.78678999       8.93953998       8.67134002       1.27890567       0.61468485       0.28013590
Li       3.40927994       6.85242995       1.27738001      -0.27178724       2.70734029       0.44890735
Li       7.47790996       1.09485996      10.12070005      -0.10803332       0.62297211       1.76815895
Li      10.88149995       9.24452995       2.83438000       0.19371150      -0.08986120      -1.04977092
Li       9.04975997       3.46500001       4.27750002      -0.31071430      -0.10162980      -0.16013281
Li      11.36329996       7.82953995      10.65229998      -0.84648516       0.17104343      -0.79696746
Li      10.27440005       0.66412196       0.91883706      -0.29206161      -0.30180765      -0.73062871
Li       3.39135004      10.43709997       1.75167000       0.58851985      -0.48632473       0.17170666
Li       0.87819802       5.06596002       4.97812001       0.42959454       0.04338455      -0.12330670
Li       1.02151000       8.24973000       6.20020000      -0.17867685       0.56511037       1.86715979
Li       7.03521999       5.65571996       2.13674004      -0.00072944       0.11348246      -0.04930846
Li       9.88133999      10.76459994       7.11339996       2.50541150      -4.98678727       5.06587122
Li       9.12749994       4.21085002       0.48131805      -0.29307606       0.36357293      -0.22735179
Li       1.26256002      10.67840002       9.95314994      -0.43974791      -0.36690527       0.01508052
Li       2.87148999       2.37681995       7.30832001       0.10500136      -0.33433967       0.04577655
Li       2.16417005       1.80969004       3.15505999       0.65995197      -0.69522240       0.24726121
Li       4.53333999      11.14970002       9.27647998       0.37695320      -0.87894222       1.09703090
Li       4.61701995      11.20699998       5.98579997       0.75245579      -1.89047296      -1.39952551
Li       2.15385999       5.33555001       8.86144003       0.71379131       0.68727588       0.22574413
Li      10.42319999       5.38852003       8.11624004      -1.45279045       1.64802588      -0.15964965
Cl       0.92557095       7.03713005       0.86516095       0.06691266       0.56286785       0.10060797
Cl       7.53288003       3.78136003       6.61519995      -0.63881909       0.75380256      -0.06508664
Cl       9.30641998       0.39384204       5.96631998      -1.13931494       6.48250661      -4.72611609
Cl       6.41211997       3.69696998       3.00050006      -0.49462379      -0.43525260       2.71646517
Cl       3.17519000       4.32411000       6.20789999      -1.76959227      -0.00916666       0.62364372
Cl       3.83307001       0.63460305       4.30833000      -1.07617058       0.64627380      -1.33089348
Cl       6.93383001       7.73011999       3.23779002       1.67801239      -1.85366084      -1.03625273
Cl       0.78267901      11.20000000       0.66582097       1.30065703      -0.38505010       0.54779037
Cl       9.43603995       5.45382000       2.42684995       0.56991715      -0.44153451       0.11652883
Cl       0.37308298       4.14218999       8.67399996       1.33521896      -1.69867428       0.87832843
Cl       9.86573997       0.90110296      10.09380004       1.50845547       1.45149896       1.23885877
Cl       6.64024000      10.03019999       5.49724004      -1.28006699       0.09959126       0.34926020
Cl       4.65929999       0.86268994       7.55834999       0.05107679       2.09235028       1.55081247
Cl       6.92218001       3.99293997       0.34258605       2.33878392       2.78614869      -1.68057545
Cl       1.98987997       7.92801995       8.87613001       0.40551379      -0.55267764      -0.06810972
Cl      10.03689995       8.93131000       4.70665996      -4.31190268       2.18899020       0.94613062
Cl       6.23267006       7.67916998       8.20133996      -0.64502963      -1.22951755      -0.44547674
Cl       3.34717003       4.98928003       1.03059006       0.26846222      -2.77711223       0.07422545
Cl       0.66148999       7.78807995       4.28489999       3.52543525      -3.60020672      -1.56243593
Cl       1.21457994       0.13092196       7.93823003       0.43961332       0.61803655      -0.28938948
Cl      10.33740005       4.68170005       5.94917996       0.31412878       0.45923250      -0.93945454
Cl       4.29865002       4.70072995       9.55903998      -0.04676018       0.31795070      -1.29007279
Cl       7.91924003       0.14178299       8.43218001      -2.06256119      -1.80036043      -1.14529158
Cl      10.53680000       8.69424004       7.99817997      -0.05313359       0.67890421      -0.52369451
Cl       3.63364003       8.16549001       3.10382005      -1.34312586      -0.00021544      -0.57894653
Cl       9.30914997       6.66076003       9.79099000      -0.31227398      -1.67617033       0.00452611
Cl       4.69653998       9.09084004      10.80630000      -0.57309761       0.04826035      -0.46616618
Cl       1.15160000       3.61127998       2.96517001      -0.32474941      -0.99244650       1.30084580
Cl       9.22995002       0.92763796       2.77187996      -0.45092750       0.51386487       0.19832331
Cl       5.80329000       1.62935003       0.27929898      -1.32519716      -1.64341056      -1.61514645
Cl       9.03009999       9.27093998       0.22758602       0.21536805       0.16093644       0.23370691
Cl       5.77216999      10.55130002       1.58598995       0.15401478       0.00202573       1.72890863
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.7408499 stress="-0.03458797724955544 -0.005254449029343869 0.0028686009272218187 -0.005254449029343869 -0.012728677122886153 0.0018941854041564104 0.0028686009272218187 0.0018941854041564104 -0.016571791227825164" free_energy=-220.7408499 pbc="T T T" config_type=melt 
Li       7.90522002       6.30436996       6.20301001       1.54243871      -0.53993686      -0.01718173
Li      11.07379995       0.03651992       2.04038999       0.43952838      -0.30605214      -0.57052372
Li       0.93364604       7.34450999       8.95185995       2.21645206       1.44669362      -1.29501456
Li      10.57619998       3.79509997       1.01702002      -0.12739177       0.72899004      -0.63157978
Li      10.14789998       4.43924004       8.23020003       1.35016768       0.80964524      -0.11546853
Li       7.31688004       6.39088996       2.06615997       0.37491069      -0.08093702       0.34789749
Li       5.32727005       8.03382998       4.64464004      -1.83716980       3.52316392      -2.04537035
Li       2.29690004       2.22820997       3.06348000      -0.06404528      -1.38565233      -0.53395882
Li      10.24060003      11.25259995      10.00020004       0.51592994       0.56881478      -1.86622421
Li       4.56739005       4.88469003       4.73518000       0.02553874       0.14416242      -0.01647275
Li       9.56429005       8.21186005      11.39585817       0.19946380       0.10263949      -0.05232212
Li       3.35909001       0.17359201      11.16560005      -0.13717514       0.38702336      -0.19999619
Li       0.81526096       2.41655996       9.61570001       4.10370101       1.32342875      -1.68236736
Li       2.79403995       9.19620996       6.98891003      -0.64672045      -0.18734225      -0.07000241
Li       9.89543005       8.29027996       7.77456001       0.32553666      -0.06214372      -0.04525086
Li       6.12033994       0.27149800       8.39743005       0.32550687       0.30163751      -1.12930433
Li       4.40525005       3.08993004       8.64509003       0.15101228      -0.53507859      -1.63212856
Li       4.08926996       6.38609995       0.42154399      -1.59374904      -0.08508042       0.65192402
Li       7.69995999       9.87104999       4.49650996       1.49895433       1.08619642       1.93352231
Li       7.29006004      10.98229997       0.14779303      -0.30950423      -0.58000599       0.23677063
Li       5.27858997       3.24222005       1.61932005       0.25463837       1.00642187      -0.58578886
Li       1.14198996       8.30377996       1.56231002      -0.67827254       0.22500091      -0.26825306
Li       4.89103000       8.11836999       9.35561997       0.88511866       0.70113069      -0.39089550
Li       3.65049997      10.77619996       3.65513005       0.46828163      -0.44012406      -0.87384769
Li       1.40271004       5.32892996       5.56439997      -1.29623340       0.59382582      -0.06377099
Li       7.99842003       1.87072002       2.50145994       0.90908891      -0.35839512       0.53460545
Li       7.23480004       6.19422998       9.39811003       0.28294115       0.50546702      -0.00677018
Li      10.66120005       3.62454003       4.36042999      -0.21023521      -0.03247325       0.03370450
Li       7.81049996       2.57433998       5.72078995       2.31383895       0.45477027      -0.89092185
Li      10.87800002       7.85594998       4.43485002      -2.19758644      -0.69103037      -0.29948450
Li       8.47293002       2.70402002      10.49890000       0.22536336      -0.04279622      -0.47991734
Li       0.47209195      10.84529999       5.96912001       0.22708709       0.24011243      -0.54701095
Cl       1.66258005       3.78778003       4.16430000      -0.79298345       0.56970341      -0.17764212
Cl       5.28329995       5.56725997       2.15648004      -0.12502478      -1.22114889       0.85074429
Cl       7.74978994       0.75545204       9.96595004       1.80469875       1.39921720      -1.75196444
Cl      10.57989996       7.28546000       1.57725004       0.04396041      -0.25004736       0.89286848
Cl      11.08480004       6.31651006       9.75877995      -1.63816316      -2.03043332       1.40617690
Cl       4.16197000       1.52427005       2.06242995       2.26143413       0.15310014       0.48644127
Cl      10.59989997       2.10964994       2.18335002       0.92502753       0.42273855       1.35615667
Cl       2.32565005       1.45079995       8.47789004       0.43969064      -0.81046092      -0.57820764
Cl       6.98936998       9.16286003       2.89567997      -1.79875357      -1.28082050      -2.37751729
Cl       2.33617002       0.38965896       4.72914004      -1.11807508       0.31846967       1.16438230
Cl       1.26227995       8.25993000       4.81962004       1.72173323       1.22266287       1.12480350
Cl       3.19267005       5.53046995       6.37165003       1.37422883       0.30244381       1.26643120
Cl       0.06371996      10.10939994       8.03904004      -0.05718063      -0.56517766       0.23666126
Cl       9.48411002      10.50290001       0.18285297       0.17904803      -1.28032207       2.32459888
Cl       8.46150002       8.47412001       6.07384999       0.59300326       0.56074646      -0.10168213
Cl       5.74038000       6.68042998      10.77090002       1.44632006       0.30565525      -0.37467815
Cl       4.82812000       9.62362996       6.54671005       0.53702441       0.17532729      -0.14750827
Cl       8.36892997       4.48743002       9.18538997      -1.33239178      -0.34804077       0.44835998
Cl       9.56432994      11.17110004       3.52259002      -0.96424034      -0.52018716       1.47237537
Cl       8.47910995       4.64733999       3.58181002       0.12699016       0.34334425       1.19853366
Cl       3.48346003       3.63712001      10.28769999      -0.32442921       1.05923148       2.23346789
Cl       5.40146997      11.16839998      10.22619998      -3.16608096      -1.84905056       1.38069093
Cl       2.90523005       7.62767002       2.29379001       1.21925768      -0.00062978      -0.24508489
Cl       2.97616001       7.63525995       9.79626001      -1.48875438       0.32646722      -0.12716713
Cl      10.76489996       5.97541998       6.39093994       0.05459490       0.74080312      -0.16931874
Cl      10.73920003       1.91125003      10.38050002      -3.23571794      -0.23562562       1.69658261
Cl       8.28176005       3.35618003       1.04410002      -1.72443993       0.61837424      -1.32612742
Cl       8.54500996       8.08425997       9.52129005      -1.09243500       0.32953956      -0.53061962
Cl       1.84315003       0.33501985       1.39160998      -1.58730337      -1.42024861      -0.70231974
Cl       6.04390002       2.42706995       6.31698995      -2.93900823      -0.45195485       1.11921900
Cl       9.59755996       3.20808997       6.62954004       0.53915490      -1.49701339      -0.98255596
Cl       6.06477006       6.62536005       5.46071003       0.58139895      -3.90873923       1.50530216
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.86093596 stress="-0.009030823981675217 0.0003562865245873896 -0.00030561533206963646 0.0003562865245873896 -0.015183433270829563 0.0037264816016468988 -0.00030561533206963646 0.0037264816016468988 -0.008563630315082926" free_energy=-222.86093596 pbc="T T T" config_type=melt 
Li       1.38777002       4.36707996       4.25158995       0.41704884      -0.80081597      -0.95997564
Li      10.44930003       4.67112998       6.82222994       0.08817493       0.38802207      -0.38588037
Li       5.52494003       4.06037997       1.99054995      -0.28938649      -0.20522072       0.62195800
Li       8.71143004       3.57617005       3.97455998      -1.25101094       0.63782791      -0.95115247
Li       7.75921003       2.03228004       7.07540997      -0.67604642      -0.02746048       0.53218368
Li       1.35256001      10.64340003      10.14099997       1.39598060      -1.14615277       0.93493225
Li       8.01109998       7.71766004       0.25104905      -1.48475343      -0.33563727      -1.32230508
Li       4.21698995       3.08617996       6.38754996       0.03138058      -0.43929396       0.11634255
Li      11.27039997       3.82462003       1.17068001       1.47943491       0.76613827       0.77289057
Li       1.49250000       2.89038003       8.74493004       0.74418918      -0.90017059      -0.09264316
Li       2.42678999       7.63787002       2.62982996       1.02146800      -0.96717730       0.68970877
Li       1.88998998       1.04780998       2.61297002       0.46894705      -0.19914315       0.80133633
Li       7.92175002      10.40249997       4.98664004       1.11888764       1.11149785       2.25377402
Li       6.84325005       7.48765001       3.02320002      -0.60012643       0.58069017      -0.29891212
Li       8.10191003       1.49640004       0.75213198      -0.87693231       0.03801726      -0.34270316
Li       3.91244995       6.79641995       5.91204005      -0.45413277       0.11471765       0.31383486
Li       4.15221998       3.11285997      10.95139995       0.02999028       0.31164020       2.17361787
Li       5.12262004       0.04225963       9.38106999       0.17818154      -0.17902324       0.11744897
Li       7.42825999       7.27214000       6.50703997      -0.13942581      -0.31430608       0.65793003
Li       4.38455003      10.35369997       5.13828002      -0.01354523      -0.08231032       0.45216014
Li       4.57941001       8.12976995       9.45020005       0.74879408      -0.39309546       0.11849403
Li      10.91180004       9.97691998       2.17507006      -0.01607962      -0.37355966       0.17898126
Li       9.89469003      11.41599999       9.39856001      -0.77636914       1.18768352      -0.77773774
Li       1.41408994       6.32016005       9.55803995       0.67941730      -0.18609889      -0.24974116
Li       9.68911003       8.36504002       8.88044998      -0.56666520      -0.48174160      -0.39324592
Li       6.30778998       5.57394995       9.10554000      -0.39451018      -0.34246720       0.37331102
Li       0.82262698       9.80586994       6.20860000      -0.39555451       0.28176211      -0.02702122
Li      11.14490004       7.29305004       0.40930002       0.17803980       0.57757911      -1.40331213
Li       4.99786001      10.52280005       1.89402002       1.05628249       0.22396271      -0.79531910
Li      10.71480003       1.14861001       5.98192997       0.65026619      -0.43134759      -0.14614078
Li      10.30370000       6.49454998       3.72966003      -0.24446979      -0.37858312      -0.07466972
Li       9.63275003       3.59899005       9.70662998      -1.08438867      -0.15117489       0.33973538
Cl      11.22060005      10.78800003       4.38843000      -0.19549180       0.14891721      -0.33356155
Cl       2.21832994       2.08918999       5.19539002      -0.07049517      -0.16707076      -0.30212769
Cl       5.89592001       9.52980996      11.23759998      -0.06139542       0.17109602       0.80909854
Cl       9.69296994       7.03678005       6.71624004      -0.01630519       0.33438719      -1.17114347
Cl      11.39499996       4.32161996       8.95157999       1.87957830      -4.09574121      -1.65432272
Cl       8.99208994       0.02989082       6.91015994       0.00348629      -1.42478144       0.81921290
Cl       1.81269998       5.31435004       5.97800999       0.73976362       0.92207430       1.34926574
Cl       7.31627003       7.46246000       9.30475995       0.84527905       0.33815773       0.27889975
Cl       3.30593003       9.80785005       9.18480999      -0.67165026       0.99569074       0.27082927
Cl       8.00341994       5.81644997       3.29684000       0.88387022      -0.59268178       1.62448830
Cl       7.15459995       1.38172995      10.05469996       0.47243593      -0.11513796      -0.47721411
Cl       6.82833995       5.14932001       0.76570603      -0.06352001       0.13526064      -1.73293540
Cl       6.10831999       1.46745995       1.91362004      -0.15004516       0.46093970       0.15562510
Cl       9.88484003       2.74109997       0.24593300      -0.98195354      -1.08697384      -0.22567357
Cl       5.92719996       1.37848006       6.08527002      -0.83346200      -0.40374934      -0.33869377
Cl       3.93229003       5.81441999       9.27920997      -0.51031531       1.23460135       0.22443117
Cl      10.67629999       4.04919003       4.38732003       3.75868314       3.39515519      -3.45878449
Cl       6.88969998       4.56930000       7.25227997       0.05101872       0.03177350      -0.32871990
Cl       0.62941500       0.49140697       8.87388003      -0.11209923       3.04216178      -2.13979369
Cl       5.52447000       8.69205999       6.95608000       0.66119035      -0.31248550      -1.06752179
Cl       0.66776405       5.87627001       1.45609002       0.41580647      -1.75904627       0.83372281
Cl       1.20981000       8.77405000       1.50990003      -0.68687983       1.62472330      -1.32507309
Cl       9.29296000       2.72451998       5.73750005      -2.52364118      -2.00584643       3.46351968
Cl       6.97982000       9.77626997       3.43559998      -1.18702758      -1.01724912      -1.66597882
Cl       3.88820999       5.67848997       2.79765005       0.15419882       0.25168593       0.46784857
Cl       1.89446002       2.51164000       0.96786302       0.21841340      -0.03601786      -0.17248211
Cl      10.70320001       6.51837998       9.48258997      -1.06778180       4.23677345       2.40119605
Cl       9.58557004       8.08069997       1.50246005      -0.50753020       0.93372691       1.51031001
Cl       2.53783003       8.64379996       6.15106995       0.04971272      -0.14773783      -0.57775265
Cl      10.85259999       9.78207996      10.10419997      -0.75730549      -1.88346414       1.41102660
Cl       3.27770004      10.33009994       3.09451999      -0.11543227       0.40072511       0.55765711
Cl       4.00471000       2.88009003       9.05761002      -0.64419205      -1.49462513      -2.43323273
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.65648617 stress="-0.016169948914286393 -0.0056343689158892514 -0.011078284540899973 -0.0056343689158892514 -0.011541691184313157 0.0031850476930888947 -0.011078284540899973 0.0031850476930888947 -0.013811828185927803" free_energy=-225.65648617 pbc="T T T" config_type=melt 
Li       6.91540003       8.59872997       8.25505000      -0.07770792      -0.83064679       0.43263941
Li       9.27089997      11.34090002       1.83212001       0.69888246      -0.05957732       0.93571395
Li       3.96800000       9.15169003       8.54225005      -0.39523515      -0.49273403      -0.44505935
Li       9.12155996       7.57477005       5.47597999      -0.79135892      -0.32093231       0.17558379
Li       9.17761994       5.57920001      10.10429994      -0.74468261       0.27839341       0.79889427
Li       9.30175001       3.35138005       7.61471000      -3.09429291       1.06530866      -1.35013146
Li       9.18037997       1.83591996       4.75575998       0.08731586      -0.18242745      -0.46733590
Li       1.12455004       8.58689998       3.59125005       0.23757939       0.67468892       0.04069946
Li       6.01743003       1.97741005       7.20518001      -3.69624239      -0.23525282      -3.91603763
Li       6.42398000       5.32997998       4.99719004       0.48700994      -0.05837551       0.09517816
Li       3.01590002      11.25699994       4.26423998       0.25074191       0.43938707       1.19739402
Li      10.15819994       7.29834998       2.22112000      -0.38087922       0.19367944      -0.23325128
Li       0.74447900       1.54851998       6.87256994      -0.21008892      -0.61404063       0.66820457
Li       2.65826997       5.42866003       2.30522999      -0.00841730      -0.31475865       0.03335338
Li       0.88075295       9.35064000       7.40866995      -1.30902391      -1.16043977       1.21013936
Li      10.68979999       0.72769896       9.63016002      -0.38236063      -0.26521626      -0.12959599
Li       0.63079198       3.70022996       0.21693995       0.18579968       0.17346270       0.08310181
Li       0.77390895       0.51956003       1.68256000       0.00523920      -0.25256020       0.08602622
Li       7.00650002       1.88375995      10.76400002      -0.03151206       0.47748886       0.19550718
Li       0.04915218       6.34984004       8.24406000      -0.34012641       0.05540828      -0.65002661
Li       3.18659994       3.04040997       5.02222998       0.02363802       0.25727934      -0.02629040
Li       3.66609002       0.82100204       9.35671997      -1.53602956       0.75969291       0.70643881
Li       1.63920003       7.15287996      11.00779997       0.44288171      -0.30967734      -0.02884016
Li       3.96891004       9.27244994       1.21429001      -0.27002782       0.29859560       0.23252995
Li       7.06068995       9.37258000       0.17214304      -1.00208886       0.98657943       0.40432181
Li      11.30594107       3.76551995       3.52931004       0.43745709       0.32525061      -0.12772800
Li       6.68235002      10.15280004       4.26063997      -1.37267132      -2.42711044      -1.02648744
Li       8.48759994       4.41111002       2.18419998      -0.29087344       0.00412357      -0.47858164
Li       8.64924996      10.78940005       7.11729999       1.33618919       2.10995044       0.54698668
Li       3.67237004       6.14321004       7.06933998      -1.82563620      -1.08251248      -0.72012919
Li       5.25813998       5.29141999       9.75705997       0.01936611      -0.07092278       0.29177014
Li       4.00330001       2.12061002       1.42369002      -0.05487221      -0.07167636      -0.92487913
Cl       7.49548000       0.26941700       4.86403002       1.57931597       3.93509299       0.31454950
Cl       4.46995995       9.29049002      10.61510000       0.24244549      -0.80495733       0.16775826
Cl       1.87587000      10.19559998       6.03344999       2.47168503       1.39701619      -2.26409977
Cl       4.41033996       3.81541995       7.24284005       0.70211883      -0.92632063       0.38458992
Cl       8.24248996       0.18051988       0.06561993      -0.03744766      -0.28061032      -0.85813277
Cl       0.90964901       2.49277002       5.04025997       0.03639989      -0.15923996       0.15091085
Cl       2.01111996       3.11734996       2.06866996      -0.16092870       0.01194332      -0.48465198
Cl       4.54494999      11.17910005       8.00172002       0.99352888      -0.49175598      -2.26286219
Cl       8.43390997       3.84941005       5.56464003      -0.07779351      -0.13971428      -0.02457570
Cl       1.97035000       7.41402995       8.23833004      -0.01895977       0.56124388       0.32716801
Cl       8.59290004       6.71493002       8.26447994       0.44243006      -0.20401837      -0.59317428
Cl       0.82853797       6.64056994       2.61314003       1.22939080       0.59617952      -0.39111212
Cl       1.08455999       0.40977097      10.66120005       0.45606908       0.19368377       0.34520943
Cl       7.59076995       9.39174002       6.37490004      -1.30363198      -3.08754392      -0.58759322
Cl       5.16738003       7.02000999       7.90540001       2.19848660       1.30400828       1.08265558
Cl      10.80410001       2.67839999       8.47295994       2.68228783      -0.36733756       1.54803971
Cl      10.96170004       9.95633999       2.53290004      -0.85940751       0.29747693      -0.75004825
Cl       4.34622001       1.52054003       3.40877001       0.68846231       0.10777151       1.57180449
Cl      10.86069996      11.11009998       7.38222999      -0.95778951       0.12536316       0.67358956
Cl       5.63218001       9.10787000       2.50811003       0.91616284      -0.10468206       0.50780119
Cl      10.56230000       4.64536997       1.58679004      -0.77634216       0.76576171      -0.83327005
Cl       7.15928001       2.05655004       8.53432995       4.27705520       0.27197989       3.40245489
Cl      10.37060004       2.02447000       2.51422003      -1.07483739      -2.02274069       0.43409532
Cl       8.33881995       7.82341997       0.16180501       1.03611584      -0.84048647      -0.11965696
Cl       2.65513999       5.30953997       5.37653997      -0.26965074       0.43835959      -1.52845267
Cl       2.54505000      10.47070005       2.47207997      -0.43760420      -0.67834502      -1.30713511
Cl      11.02770001       8.20450995       5.06340004      -0.08320681      -0.39937082       1.24227900
Cl      11.36270003       5.94424000      10.32459996       0.12781636      -0.41389988       0.33234427
Cl       8.22492004       6.31467004       3.41233001      -0.59426256       0.29563990       0.70522596
Cl       7.26660997       4.41670000      11.44303724      -0.04407460      -0.36551208      -0.29403502
Cl       3.38216004       5.24033000       0.05169530       0.07104810       0.60428051      -0.43741742
Cl       5.00340001       0.92637402      10.86839994       0.14714518       1.03030610       1.93563278
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.20421963 stress="-0.014134051768083323 0.002140665495597775 -0.0032078766555922525 0.002140665495597775 -0.013945394109448237 -0.005942031537850287 -0.0032078766555922525 -0.005942031537850287 -0.020306302012917252" free_energy=-223.20421963 pbc="T T T" config_type=melt 
Li       6.78216997       7.57269995       7.71438997       0.55541921       0.02812747      -0.23209813
Li       9.12717998       9.72404995       2.15552999       1.15527642      -0.98597357      -0.74598720
Li       5.96962994       6.07239002      11.01710002       0.73729372      -1.48023333       3.65328454
Li      10.65540004       6.73092005       7.42589996       1.36466568      -0.44973323      -1.39865853
Li      11.21750000       2.63315999       7.57906996       0.34419256      -0.01901569      -0.10345007
Li       9.79986002       7.26126005      11.18170003      -0.16427847      -0.06419941      -0.01214695
Li      10.12660003       4.65863999       1.70656998       0.35513384      -0.49126666       0.01000018
Li       1.20312002       9.55902003       0.26869200      -0.28673251       1.22369783       0.15990837
Li       8.13982000       3.70598996      10.01660003       0.25981432      -0.17002022       0.43402180
Li       3.27047995       0.02976551       1.98867003       0.35581337      -0.49914406      -0.35716300
Li       5.13727999       9.88097003       5.52403000      -2.90333637       1.83259929      -1.03523122
Li       4.96231994       4.82217004       7.56290005       0.26986411      -0.19808447      -0.02899202
Li       6.41373999       4.85703005       2.91224000      -0.12257870       0.10578013       0.28395484
Li       0.08266709       4.53245002       4.99742001      -0.21958563       0.85249986       0.02945099
Li       1.29171002       5.53377005      10.42230004       1.37258645       0.73465671      -0.09947011
Li      11.44583120       1.58707000       0.07541994      -0.30193850       1.74157965       1.25971684
Li       6.29138001       1.22019996       4.11343001       0.18985379       0.43294490      -1.62465526
Li       3.94162998       1.78473998      10.10120000      -0.21775130       0.36355180      -0.65760872
Li       6.63606998       0.62533899       7.97509996       0.00958370       0.44810896       0.37069485
Li       3.10278001       1.27655000       5.64541001       0.01023886       0.41674699       0.49760948
Li      10.59070000       1.15726003       3.57723004      -0.02576175       0.43481865      -0.36925747
Li       2.33042997       7.93706996       5.77603998       1.43510303       0.72252787       1.07260339
Li       9.37964005      10.89379997       9.72276996       0.22703150       0.07972703       0.30080410
Li       0.40465103       8.18949002       3.27946004       0.08637532       0.92085425      -1.56394100
Li       7.03147002       0.64880695       0.45773202      -1.75951058      -1.21497323       3.21799910
Li       8.81699003       3.63189998       5.48146003      -0.24292963       0.62457745       0.18982954
Li       6.22808996       8.65112999       2.30475995       0.36917926       0.65140987      -0.10883668
Li       2.74936996       3.18565001       2.67572996      -0.88905216       0.20700588       0.10468685
Li       9.53190999       9.77192994       6.16736000      -0.09937761       0.07003672       0.27438047
Li       1.91434000      10.20750002       7.56778005       0.15011707       0.64524551       0.65987624
Li       2.90015000       6.99315995       1.94417005       0.06854452       0.50653848      -0.47716758
Li       4.35440998       9.51924999       9.58857002      -0.18877220      -0.12042881       0.88402388
Cl       6.68313005       9.17169004       6.20196997       3.21388837      -3.02897091      -0.35157805
Cl       7.94844001       1.07611001      10.41910002       3.30647751      -0.60441978      -3.47854937
Cl       9.99556996       1.72686004       5.80601002      -0.24282546      -0.80248894      -0.48383821
Cl       5.72459001       6.72438002       9.35240997       0.58890152       2.30495625      -3.33928934
Cl       7.62430996       9.52843998       0.73839697      -1.04072474      -0.95112574      -1.82287156
Cl       4.18431996      11.42879998      11.24770001       0.45946437      -0.67896340       0.31711019
Cl       8.37981003       5.50732001       0.60310998      -0.70344484       0.28518879      -0.38116516
Cl       5.78127996       0.63630996       5.91439997       0.21688017       0.79351721       2.55035332
Cl      10.93510004       8.75699998       1.41306997      -1.42704252      -0.57353559      -0.28081745
Cl       5.98782995       2.70486000       9.76830001      -1.57205495       1.78500163      -0.89735113
Cl       0.86090495       7.08699004       4.80168004      -0.26790175      -3.68163238      -0.68869927
Cl       0.17581700      11.41400005      10.47899996      -0.12363871      -1.79872966      -1.28769538
Cl       1.53804002       1.20426003       2.00496995      -1.11735647       1.14243728      -0.09356371
Cl       1.47755001       3.02996005       5.13296002       1.08310808      -0.80749602       0.11115323
Cl       1.99102995       7.90826997      10.87220001       0.73790229      -1.28290207      -1.00946021
Cl       3.97310998       9.36251998       7.49452995      -0.59545903      -0.69334761      -0.59208250
Cl       8.06603005      11.07180000       3.05596998      -0.82515087       2.32700505       2.53979479
Cl      10.10129997       4.57207000       7.31253003      -0.01643461      -0.22065297      -0.28518966
Cl       6.30382999       4.85370002       5.65477003       0.41321811       0.12679560       0.17911506
Cl       0.54867506       8.86082004       6.69383001      -1.49760741       1.76970092       1.62131207
Cl       2.64187995       0.79374204       8.12868004      -0.11714870       0.72609473      -0.30144716
Cl       3.77886999      11.32740003       4.09829005      -0.05786233      -0.61879584      -0.19337200
Cl       9.46301999       2.30267001       1.14791997       0.63450776       0.21172841       1.43591617
Cl       1.47298000       5.35086996       2.10025004       0.04707273      -0.66829768      -0.35829619
Cl       4.83156994       3.14327001       3.28343998       0.79554866      -0.25700287      -0.45119517
Cl       9.52456999       7.32445999       8.87267995      -1.49261883       1.22555484       1.69852089
Cl       8.34874997      10.73899998       7.75838999       1.29673366       0.31521996       0.69623179
Cl       9.74504999       5.27018000       4.00237003      -0.79019422      -0.27474387      -0.53068825
Cl       5.43016999       6.78563998       1.67841004      -0.76660112      -0.56034697       0.40599038
Cl       2.23906997       9.46613001       2.28316996       0.59980790      -1.06159503       0.52795646
Cl       3.43664002       5.20528002       9.02838001      -2.05095092      -0.98403992       0.08712022
Cl      11.09950000       4.33535004      10.46670005      -0.58297496      -0.81407606       0.06839369
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.98269042 stress="-0.011526950855629412 -0.002045117203347972 -0.00550337393239286 -0.002045117203347972 -0.019767988390809007 0.0003137190391337909 -0.00550337393239286 0.0003137190391337909 -0.020666687654864575" free_energy=-222.98269042 pbc="T T T" config_type=melt 
Li       6.49905005       4.52156996       8.00853003       0.37830270      -0.11838906       0.18318796
Li       7.98071998       0.95560495       1.08694995      -0.38044326      -1.20628250      -2.36770763
Li       9.36761998       3.15132997       2.49019996       0.21708469       1.08440692      -0.36492588
Li      10.61779995       6.39703000       6.75981004       1.19522133      -0.36061688      -0.02553789
Li       3.93108995       2.24064001       7.13786003       0.41249952       0.13273254       0.20428162
Li       4.39177998       7.71380999       9.85835995      -0.28052901      -1.25754618       0.93964161
Li       9.65360997       3.62016996      10.19379997       0.04747622       0.16903199       0.41678381
Li       1.89983998       8.51599994       4.45050002       0.74789124       0.25962329      -0.34893779
Li       4.75870997      11.17059997      10.81570002       0.36765897       0.49397697      -0.33916070
Li       1.04130996       2.72614997       1.54241995       0.45614618       1.68867190       2.60902374
Li       4.36955005       1.21703995       2.91180998       0.36159682       0.02008201      -0.21218654
Li       1.51395999       1.50933002       9.64846996       0.38684346      -0.29258465      -0.39561832
Li       7.37560994       5.15386995       0.40752604      -0.17248435       1.98674711       0.39604008
Li       5.25564994       5.57766002       3.56568998       0.12830042       0.07245523       0.54871522
Li       0.04101988       6.73616003       2.03553005      -0.74870926      -0.89489441       0.10380078
Li      10.70490005      10.36679997      10.17529995      -0.72525722      -0.13219957      -0.05530081
Li       1.23551005       1.04460995       5.28540995      -0.08947371      -0.31956457      -0.10243054
Li       2.18568002       9.29624005       8.19238006       0.19410735      -2.13050381       2.30164679
Li       5.43293999       9.93610004       5.47812003       0.27087044      -0.14652926      -0.20330098
Li       9.34098995      11.05049994       3.43950001       0.59522509       0.26007406      -1.45973558
Li       3.27254994       4.98363995       8.10385999       0.13500530       2.34297935      -1.24250635
Li       9.23290001       9.85777997       6.65483002       0.29016350      -0.21545545      -0.34319488
Li       1.76109995      10.55450004       1.55160995      -0.12138812      -0.02397546      -0.58504764
Li       6.62666996       2.30072006       5.08389003       1.03061391       0.37301603       0.06152868
Li       4.72338004       8.68506001       1.32623997       3.02360665      -2.43650135       2.99174394
Li       9.59210996       3.23246005       5.97721001      -0.14284016      -0.48381228      -0.47095350
Li       7.64465997       6.77355995       4.97970002      -0.07483582      -0.26185427      -0.16677643
Li       0.52496200       6.59824004       9.96169003       0.14926513      -0.08496608       0.06913132
Li       8.80144000       8.08428003       1.01632001      -0.77473955       1.80899069       1.32985591
Li       7.58982002       0.70925099       8.01039000       0.55375611      -0.67711738       0.37439774
Li       3.93332995       3.66943002      11.26910003       0.18659721       1.11653281      -0.44945606
Li       8.06679999       7.46862996       8.91830996       1.10710960       1.45035889      -0.13369664
Cl       0.27628697       7.43397001       5.02978001      -1.23001642      -0.70872411      -0.57614188
Cl       8.77035999       7.29822995       6.80884998      -1.05248147       0.46159441      -0.06225326
Cl       9.88903997       4.15920000       7.96040998       0.26575082       0.31764700       0.25363367
Cl       2.99352003       3.36974996       9.08237000      -0.77507763      -4.92993169       0.00648155
Cl       3.76999996       1.84321996       0.76760394       0.54383864      -0.52855166       0.30464988
Cl       7.98382004       7.78177999       3.13313994       0.58389803      -0.17426670      -0.94380955
Cl       5.42792998       5.90638002       1.48357002      -0.18038960      -0.16760923      -0.80335337
Cl       4.82412997       9.36241004       8.80521003       0.41530535       1.19155176      -1.44343622
Cl       8.11097002      10.50589998       4.89855997      -2.38449763      -1.58149672       0.27579456
Cl       1.20808004      10.77790000      10.45480001       1.36271450      -1.35476893      -1.42536124
Cl       2.38406996       0.53120498       3.37427995      -1.19488274      -0.63914444       0.02483828
Cl       7.88957999       4.18055005       4.41934000      -0.27673046       0.83238605       0.51991858
Cl       9.28052997       0.80257000       6.65504004       1.52471018       1.85929955       0.43930746
Cl       8.08376999       1.57080000       2.91861002      -0.51464013      -0.52384345       1.70356575
Cl       3.67670996       9.65106995       0.23764902      -3.73694797       0.89073443      -1.71656986
Cl       7.44795001       3.27305999      11.30120002       0.66438188      -2.32514327      -0.47784838
Cl       6.43809001      10.49600000       0.62449396       1.06391159       0.50848790       0.35367378
Cl       1.35470004       8.33577997       2.16150002       0.67301537       0.74225038      -0.13339126
Cl       2.11341997      10.73260004       7.01473997      -0.30954140       3.18192857      -2.75428443
Cl      11.05750003       4.49794002       0.83072100       0.09449658       0.45577222       0.18930282
Cl       4.83445000       4.39886995       6.57980995      -1.20480299       1.78192849      -1.22834513
Cl       9.09538999       9.91966003       8.77885995      -0.72930643      -0.24517539       0.64320053
Cl       0.61247504       1.74323997       0.03098394      -1.81986824      -0.37826663      -1.50054837
Cl       4.91609000       7.68897996       4.32207005      -0.47714693       0.76746488       0.62507779
Cl       3.01106003       5.74811002      10.20600003       0.05529572       2.33367799       1.23054770
Cl       9.54913003       6.82250004      11.17859997       0.85277719      -0.57323688      -1.54927011
Cl       9.87874000      10.39849997       0.71036302      -0.47716758       0.12376494       1.28205934
Cl       4.82291005       1.24824996       5.21869999      -0.90691535      -1.16589449      -1.01762277
Cl       1.15273004       7.27716995       7.79873004       0.07793681      -0.31189415       1.34982670
Cl       6.89343998       6.03930995       9.64347005      -1.70212957      -0.91116708       0.21398889
Cl       6.27274001       2.25796001       7.47050002       1.07134281      -0.61171383       1.66708829
Cl      11.14369995       3.01832999       3.65120996       0.99852565      -0.53454652       1.28597522
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.52773281 stress="-0.014639364321948794 -5.568858566632256e-05 -0.013590360505402776 -5.568858566632256e-05 -0.021215733589363833 0.002215421267492758 -0.013590360505402776 0.002215421267492758 -0.028268681762055083" free_energy=-219.52773281 pbc="T T T" config_type=melt 
Li       7.66465998      10.83989997       0.64640105      -0.66351732       0.33188312      -0.23537691
Li       3.92355001       9.95001997       5.43970999       0.10447431       0.15834362      -0.12398022
Li       1.55449998       2.41373000      11.37279995      -0.35419137       1.67175451      -0.82638805
Li       5.32504002       5.64916995      10.48580000       0.29973315      -0.48610943       0.76431925
Li       4.37125995       1.88488001       9.16616999       0.17568616      -1.41647862      -0.82354996
Li       8.95294997       5.56162997       4.61924001      -0.29532429       0.15688867      -0.39727548
Li      10.15240005       6.11873999       7.48058996      -0.11459190       0.77376018       0.51472712
Li       6.50550995       2.16714996       4.00059994      -0.96663131      -1.52830370      -0.24399288
Li      10.93910004       8.51364002       3.18197995      -0.32227060      -0.23348969      -0.21457768
Li       1.09590997       5.79313002       5.45653004       0.15466206       0.40986316      -0.40880690
Li       5.37588995       8.28798997       0.86301805      -1.38222367       0.93471425      -0.56179192
Li       8.15838996      11.04010001       6.28101997      -0.92230625      -0.83403340      -1.63055138
Li       2.07526994       4.43670001       8.63327001       0.69218201       0.60976176       0.21653155
Li       6.56378002       2.99754995       0.64249804      -0.70899334      -1.46942401       0.44328817
Li       6.05328995       4.13176002       7.16844994       0.52873206       0.54817141      -0.14184661
Li       9.76663998       2.75273002       1.98179995       1.53521637       1.14447590       1.47145530
Li       3.88228995       6.35939999       6.81615995      -0.18437441       0.63133045      -2.17711192
Li       2.45281998       8.14751998       9.28188000      -0.94127431      -0.75456514      -1.63211843
Li       9.10646001       3.12068996       9.83935997       0.16354526       0.19887811      -0.10771916
Li       3.85286997      11.27050005       1.14699996       0.31546053       0.72084040      -1.02501818
Li       5.71203995       9.16502998       8.59811996      -3.81406612       0.40257453      -2.59616664
Li       2.18611004       8.04245994       1.82127996       0.13948950       0.23797814      -0.66263557
Li       9.95931005       2.57502004       6.15254998      -0.15175355      -0.17331418       0.38040838
Li       1.36028005       0.31492102       3.64289996      -1.22549351       0.68505488      -0.97706818
Li       3.36394995       4.22272003       1.88844998      -0.40561771      -0.38544687       0.07811999
Li       0.74315304      10.51040005       0.09751987      -0.17015031      -0.52950879      -0.42150693
Li       6.75649995       8.83420995       3.64260005      -0.45348420       0.29904604      -0.00950952
Li       6.16793000       5.51913005       2.70187998       1.08023903       0.19938101       1.44273130
Li       9.22089003       8.79613995       9.38931005      -0.88070853       0.39426730       2.27248644
Li       0.68739606       0.44663104       8.30274003      -1.07654128       0.03311101      -1.85647349
Li      10.41660000       6.19462997       1.06288000      -0.44677347      -0.79596881      -1.21737595
Li       2.51540005       2.89299996       5.45160005      -0.23190378      -2.70874601       1.16751826
Cl       1.50310996       8.06442000       3.83783995       0.34126131      -0.27938000       1.45542324
Cl       5.82732005       6.59426996       5.09463998       0.01188440      -0.13895206      -0.09048200
Cl       8.56719002       4.73522001       7.69125998      -0.50689136      -0.51232396      -0.20801305
Cl       0.78970203       6.42168004       7.75997997       1.59549727      -0.05593768      -0.47123047
Cl       7.29375005       8.69320000       1.11250005       1.99333407      -0.10186859       0.48053664
Cl       9.98077003       8.48555001       7.72749994       1.17976819      -0.88475801      -2.69569506
Cl       4.78529999       6.43937997       1.61881998      -1.61511657      -0.33525215      -0.84179467
Cl       4.37916996       5.98126997       8.65371002       0.65555095       0.68630549       2.08290509
Cl       7.28773004       4.23276996      10.73649996       0.91928802       1.76212031      -1.00345969
Cl       9.30698999       0.08334428       7.67419998       2.18318143       1.87365009       2.20101237
Cl       0.25876898       3.43392000       8.39041999      -1.00955872      -1.54533151      -0.61470174
Cl       0.45978905       4.35797996       0.33715095      -0.03880428      -0.05744656      -0.72880589
Cl       2.59991002       4.43704004       4.37984005      -0.48740175       2.58877430      -2.46009153
Cl       5.63170997       3.47490997       2.61776002      -0.61259535      -0.45302110      -0.43126926
Cl       7.98929996       2.99520000       4.97373997       0.15040750       1.36503080       1.19860767
Cl       2.13441004       1.65376998       1.60957002       2.29764579       7.81402545       1.60501919
Cl       2.38568997       0.27131801       5.33195997       0.86199120       0.37204041       1.82402398
Cl       8.63603004       1.71007003       0.72813002      -0.73371581      -1.36663320      -1.00968845
Cl       7.14943001       9.01212996       9.64262994       2.81555822      -0.44225974       1.90795663
Cl      10.51150005       1.91060000       4.10137005       1.39332923      -0.79395033      -0.45482832
Cl       3.19194998       8.38257005      11.05799999       0.80197585       0.62225619       1.84774508
Cl       0.01578402       7.88714004       0.90150295       0.24839164       1.93149330      -0.75938000
Cl       5.20652997      10.53530001       2.51814999       0.09506389      -0.39257100       0.28248329
Cl       1.86351999      10.96339996       1.75484996      -1.63717715      -8.80143044       0.81700706
Cl       5.60561005       0.46607905      10.56159999      -0.00530166      -0.48907819       0.04639858
Cl       4.32142003       3.26695996      10.53799996      -1.09703239       1.95977838       1.51185343
Cl       3.43655003       8.85486996       7.50226995       0.56852108       0.59731394      -0.73177973
Cl       3.81711001       3.82077996       6.94277995       0.30646208      -1.61817125       0.52670998
Cl       6.34950999      10.82660003       5.28182003      -0.66931682      -0.05981832       0.31422603
Cl       8.77308998       8.06252003       3.73692001       0.85760777      -0.42280283       0.86419175
Cl       1.40744995       0.74333899      10.11189996       0.45940994      -1.10933497       0.49759030
Cl      10.54199997       5.29195995       2.83204003      -0.80044716      -0.93915661       2.57678575
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.44532133 stress="-0.024833420968365688 -0.0003852834525146006 -0.0005195547289813505 -0.0003852834525146006 -0.01671933896190829 -0.004254795246354403 -0.0005195547289813505 -0.004254795246354403 -0.006994615165713945" free_energy=-221.44532133 pbc="T T T" config_type=melt 
Li       8.31225997       6.43942995       4.22277998       0.73887019      -0.52064149      -0.56722433
Li       0.87020902       1.72599001       6.75378005      -0.24739617       0.26219994       0.00298915
Li       5.84417002       7.86995004      11.06749998      -0.56523143       1.23014087      -0.20568435
Li      10.96989998       6.36578995       1.92106999      -0.25554338       0.25720563       0.59328222
Li       7.54845001       2.65017997       7.06594002       0.10994698       0.47319435       0.10617717
Li      10.50919997       4.60120005       6.09851001      -0.10980237      -0.83070970       0.51940380
Li       5.98675999      10.57289998       7.91789997       0.27970291      -0.01249224       0.42525605
Li      10.00320001       9.57280996       1.90677002       2.60227223       3.03713871       0.10530002
Li      10.68629994       1.85126995       0.93363802      -0.86455821      -1.93720420      -0.58555959
Li       8.56164005       6.41870998       0.12223995      -1.90844978       1.73266361       0.26665374
Li       6.42355995      10.42740004       2.67280003       0.78115454       0.60374070      -0.17321780
Li       5.50683003       7.29781999       2.81415002      -0.70202339       0.29824148      -0.05487573
Li       1.90505003       3.50435001       3.27623995      -0.29862087      -0.30963368       0.13563196
Li       4.51430998       5.22125997       5.87434997       1.07814291      -0.05164076       0.27182037
Li       7.28656997       4.85318997       9.60097001      -0.22043374      -1.91365426      -0.42254377
Li       2.42013005       8.35587995       0.39392195      -0.06395006      -0.22096649       0.24770548
Li       2.34634995      10.31589994       8.05601004      -0.46929119       0.85932782       0.25308571
Li       7.35124995       1.05848001      11.41740001      -0.31947463      -0.13807362      -0.30216167
Li       2.23426002      10.86389998       3.17404002      -0.38864703       0.36530986      -0.91494697
Li       9.52444995       0.52074498       7.98881995       0.11985978      -0.09638201       0.36625034
Li       4.68967999       8.79311005       5.58870000      -0.60117633      -0.54106725      -0.64525128
Li       1.20084998       7.97758003       4.58014005       0.05512268       0.13903430      -0.15315567
Li       4.10697998       2.37946006       8.37151998       0.46033792       0.53039997       0.17953879
Li       3.69410001       0.63671603       0.84029401       4.67232492      -1.59863580      -3.38743667
Li       5.97999996       1.55292994       4.49035995       0.17433811       0.10221993      -0.66683050
Li       2.38049001       6.49409003       7.80664005       0.17357342      -0.02765150       0.58600691
Li       3.89467000       4.49620994      11.30789997       0.20243162      -0.42658683      -0.69292050
Li       7.60713005       7.69278003       7.24791999      -0.03106157       0.00860901      -0.20704790
Li      10.26369998       3.06018998       3.54339001      -0.32722688      -0.19584396       0.69001803
Li      10.26189997       9.21303998       9.19039000      -1.29006915      -1.20909801       0.25109382
Li       8.52943000       9.72725995       5.03053000       0.29650124       1.71417255      -0.19398649
Li       0.56520804       4.56758999      11.01740004       1.11549259       0.15582236      -0.93339735
Cl       4.91084005       2.51400003      10.49120002       0.46774104      -0.18429346       0.60419447
Cl       5.47915995       1.12940997       6.61418995       0.18148579       0.65725297       0.28952983
Cl       6.46314003       7.05948001       4.78239002      -2.10572018      -1.06720961      -0.08555536
Cl       2.74532994       6.15250000       5.31365003      -0.37815108       0.96452245      -0.24051520
Cl       4.69449006       9.71972998       1.85024997      -1.22265655      -1.11144129      -0.45146562
Cl       0.11441902       3.49534000       1.55084998       1.84165587       0.60693824       1.76715020
Cl       1.37150003       7.31003002      10.14810003      -0.54021846       0.08735714      -0.32536416
Cl       2.82725002       9.76285998       4.75097995      -0.03105044      -0.21508930       0.70931986
Cl      10.37240004       5.68187995       4.35365999       3.51399234       0.98612450      -2.85682911
Cl       3.58027002       8.74181003       7.40970998       0.53377322      -0.91679345       1.59543830
Cl       5.65118996       1.26476002       2.05644995       0.89478146       0.21002231       1.04741347
Cl       2.41966001       1.20878005       1.88845996      -4.42821596       2.14262519       3.38656348
Cl       8.35577001       2.46262997       9.59644002      -0.47833579       0.04756763       0.44667221
Cl       9.13469000       0.27472600       1.28016996      -0.03991533       0.03499515      -0.58988736
Cl       8.47285000       9.82813002       7.95627997       0.84838412       0.29293646       0.25618439
Cl       0.29885097      10.42630004       8.99529994       0.81771588       1.18964321      -0.20338530
Cl       0.77430103       9.25396998       2.32196004      -0.06836366      -0.77327679      -0.43935455
Cl       7.17308002       6.87105001       9.69972997       1.00982356       1.26307263      -1.01809887
Cl      10.14310000       5.31037996       0.11678502      -0.00985174       0.18914911      -0.90561389
Cl       8.43289996       4.03076006       4.65466005      -2.60703596      -1.99374227       0.31151378
Cl       2.28857996       1.33795004       8.50888005      -0.48334452      -1.13382773      -0.56618799
Cl       3.71432999       6.42727002       0.82195999      -1.21208750       0.12141334       0.58310391
Cl       6.54109003       6.66115005       1.12141994       0.69977379      -2.02832388       0.60886301
Cl       9.47994000       8.03334000       5.29000999       0.92578514       0.25028965       1.30996741
Cl      10.16120003       0.72907296       4.21134998       0.18585508      -0.20282793       0.34764600
Cl       8.67595004       8.31658005       1.84866996      -1.39346853      -2.00714725       0.30429173
Cl       2.69193002       4.32112001       9.26741999      -0.59099688       0.99306714      -0.19412668
Cl       6.62295003      10.34139994      10.37369998      -0.78477830       0.10750964       0.09096298
Cl       1.08351995       3.67594999       5.50108998       0.58644500      -1.03699285      -0.54363424
Cl       6.17877005       5.01966003       7.41880999      -0.07538485      -0.75243223      -0.13888623
Cl      10.04100003       2.53866004       7.07236002       0.15296501      -0.33343673       0.18372678
Cl       6.56403005       9.64461005       5.77075999      -0.40771745       1.87320874      -0.17761019
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.73730966 stress="-0.012481650724634016 -0.006014090441033105 0.001254502683353598 -0.006014090441033105 -0.028088853991346422 0.006047461505936862 0.001254502683353598 0.006047461505936862 -0.03482571147002472" free_energy=-216.73730966 pbc="T T T" config_type=melt 
Li       6.23248995       3.14493004       5.03756001       0.10020171       0.68484330       0.37139084
Li      10.80080001       3.91238001      11.11589999       0.19006301      -0.71692369       0.57966014
Li      10.94580000       1.05557004       1.71289001       0.38251948      -0.18985046       0.24590296
Li       4.96378003       0.77323898       6.59105996       0.06707626       0.01193827       0.50870701
Li       7.40261004      10.17589999       4.36479994      -0.22937925       0.02341187      -0.23539843
Li       6.94312995       4.26551997       0.45892602      -1.28886623       1.69921696       1.15154269
Li       5.05801000       1.09620999       2.73805001      -0.52329795      -0.20470913      -2.34101859
Li       4.17592994       9.51237004       4.65292000       0.65939719       0.06058389       0.06469020
Li       7.83946996       5.81385996       6.50711999       0.76423746       3.19210721       1.77655961
Li       0.35128904       6.84129000       0.13315394       0.49910771      -0.35460449      -1.04182585
Li       0.81636405      10.32660001       4.00927003      -1.00956940      -1.59663085       3.93796499
Li       6.58159001       0.76338199      10.40869997       0.94632294       0.42651547      -0.15672498
Li       6.47269998       9.40321003       0.62116198      -0.23282280      -2.06506150       3.94114763
Li       0.85066403       8.90740996       7.84423005       0.77136007      -1.73489900       1.21828866
Li       9.85222003       5.81318001       4.22597003      -0.46567644       0.02438523      -0.86596246
Li       2.75920998       2.17853995      11.35012911      -0.12723687       0.55617316       0.25191788
Li       3.59783995       6.18191001       1.72692997       0.25648691      -0.20107846      -0.36376380
Li       5.34439998       4.87634002       8.16756998       1.02000522      -0.72199680       0.83762100
Li      10.01709999       8.58875995       2.64779001       0.11683563      -2.60174128      -1.25650747
Li      10.52089996       1.91614000       5.47598997      -0.86380066      -0.22661981       1.56881768
Li       3.34340997       7.43565996       9.97832000      -0.05036571      -0.17573033       0.46002968
Li       5.96113996       9.33748004       8.52423004       0.67942263      -0.63883986       0.31374954
Li       0.40490702       0.65628005       9.29624005      -0.03034270      -2.99600389       1.76322675
Li       1.77075998       3.94918998       8.20437995      -0.01552673       0.40460199      -0.10854028
Li       8.60338000       2.71725002       8.64998000      -0.27923089      -0.07995472      -0.12186951
Li       2.84761001       9.51375000       1.22357998       0.31096792       0.92348789       0.15086358
Li       2.99678001       5.04502005       4.79009000       0.76647329       0.13293684       0.66196675
Li      10.41269997       6.35015004       8.13246005       0.01791757       0.60082775      -0.36470885
Li       8.29289004       6.70662999      10.78859996       0.58891013       0.09006189       0.75353886
Li       9.59684000      10.08119999      10.77190005       0.43253937      -1.96916580      -0.24863160
Li       9.61967995      10.02659998       6.61257004      -1.52564016      -0.53843858      -0.00117893
Li       6.44292002       6.85298998       3.08295001      -0.23010707      -0.44116326      -0.52768429
Cl       4.41934997       6.09938003       6.91999996      -1.18913627       1.55528670      -1.14141438
Cl       5.74825000      10.21059996       2.49400002      -0.00446612       0.15357885       0.70389257
Cl       0.09361995       2.27800003       8.44402995      -0.53481072       3.47312620      -2.75493840
Cl      10.72470001       5.78465000       6.09372000       1.06945628      -0.42079508       0.19511215
Cl       9.82232004      10.17589999       3.57639005      -0.41825662       3.34369259       1.96989395
Cl       4.60588000       9.19074001      11.28609996      -4.84257638      -1.87720116      -0.04963856
Cl       5.67869002       0.91780504       4.57444999       0.44795665       0.33580136       0.74504753
Cl       7.23648001       4.10256004       7.10506004      -0.53454422      -3.49938098       2.36128874
Cl       3.97138999       3.10823001       6.36202004      -0.62423389      -0.66203698       0.19079622
Cl       0.45634897      10.07869998      10.36069994       0.37016674      -0.89087546      -0.12542848
Cl       6.70303995      10.09219997      10.45059996       4.73513507       2.36738455      -5.21249236
Cl      10.21440002       5.50947002      10.05590004      -0.87893462       0.64568443       0.19570202
Cl       8.68875002       8.01693002       7.52581998       0.36333106       0.54037220       0.37283400
Cl       1.43243004       6.49794994       8.85942999       0.08612146       0.82304383      -0.71413953
Cl       9.37429001       0.48343402      10.54540004      -0.30169212       1.93557610      -0.23525287
Cl       7.56867002       7.91397001       4.34353004       0.71915114       2.74139782       0.64227612
Cl       0.13862596       2.33877000       3.90072004       0.54268593       0.31756994      -1.38647500
Cl       0.07985330      10.53820002       7.05271001       0.50273481       1.79651628      -1.16533081
Cl       4.90813998       1.57083004      11.41380000      -1.26923651       0.18035823       0.80547224
Cl       4.77922003       9.70126997       6.85320001      -0.64456453       0.76831833      -0.55645697
Cl       1.27057997      10.89229999       2.37156999       1.37414445       1.90386716      -4.33069723
Cl       2.44178000       5.05237003      11.45674278       0.43613153      -1.65635607      -0.24291119
Cl       6.52404001       6.40309002       0.89037102       1.51442040       2.39281084      -0.44297067
Cl       7.76789995       5.24890000       4.70602003       0.44521283      -2.39083879      -4.01637960
Cl       2.03114003       7.65775998       1.11791004      -0.49246406      -0.07772087      -0.38690708
Cl       7.58503001       0.76318102       6.85421999       0.96986985      -0.39432516       0.62584341
Cl       7.70988003       2.87399001      10.85330000       1.07003215      -0.84882343      -1.26742679
Cl       2.66323997       8.30131995       3.86353003      -0.26679328      -0.23438013       1.01451005
Cl       0.44219803       2.11772997      11.40369997       0.92566521      -0.36146621       0.93052061
Cl      10.37760001       6.72894005       1.66804003      -0.98698618      -0.43450989       0.73740667
Cl       6.79896995       6.13415004       9.60672004      -1.37306302      -0.37248283      -2.19570392
Cl       5.42621997       5.02094002       2.76148002      -2.90843866      -2.53087220       1.81019618
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.84384582 stress="-0.01953697499615893 0.002623589824885304 -0.0036237927982627574 0.002623589824885304 -0.015515912058177003 -0.0008266148331004283 -0.0036237927982627574 -0.0008266148331004283 -0.016456036455478405" free_energy=-224.84384582 pbc="T T T" config_type=melt 
Li       0.34379496       9.11390996       2.28729000       0.63173219       1.71501645      -0.99265987
Li       9.90878994       3.98593999       4.92133996      -0.94503394      -0.32550696      -0.50611337
Li       3.61896999       9.84347003      11.02470004       0.40215463      -0.24767322      -0.12671891
Li       5.23422997       7.75806005       6.25401001      -0.02697180       0.17582926      -0.24034131
Li      10.92050005       9.41456001      10.71599999      -0.77970667       0.02658343      -0.90030546
Li       1.96023002       7.54316005      10.34859997       0.42402185      -0.68874935      -0.43630963
Li       2.78836995      10.21370001       4.30794996      -1.00828750       0.52093853      -0.08295027
Li       7.27166996       9.95040998       5.42137001      -0.59080788      -0.53057814       1.00477031
Li       9.11618000       6.63729999       1.64312998      -0.17976726      -0.20067985       0.07026325
Li      10.60169997       6.70072004       7.54661000      -0.37773867      -0.01296912       0.65922750
Li       6.67651000       4.62659996       6.24131997      -1.66024533       0.25416819      -1.90218657
Li      10.97700004       4.50824996      11.36140010      -0.16473867       0.16638638       0.13807400
Li       9.44152996       0.81666797       3.78406996       0.11390507       0.26923634       0.19883553
Li       3.69730003       3.88768997      10.70360000       0.18816173      -0.08786596      -0.06167518
Li       8.96898002       1.43882000      10.31600003      -0.19619982      -0.95533833      -0.18224843
Li       3.86777995       3.00064004       4.00356999       0.92679754       0.45233798      -0.19616338
Li       7.03907004       9.52644004       2.06025999      -0.29892686      -0.20318767      -0.76968759
Li       7.45380998       4.79017999       9.60308001       0.22409807       0.11486876      -0.12373876
Li      10.44090003      10.25880003       7.11763005       0.66717174      -0.79863611       0.79644870
Li       1.33699002       6.55949994       4.39133001      -1.09662110       0.80802163      -0.30682011
Li       9.65071994       7.93951002       4.40688004      -1.78300175       0.28710290       2.20466449
Li       1.14787996       1.39515004       5.46526995      -0.46110866      -1.07843977       1.41299091
Li       4.92101999       0.55257394       8.33216998       0.67336189      -0.14381479      -0.88544831
Li       8.29505999       1.82677995       7.25248002      -0.63928637       0.73567148       0.16372771
Li       1.21944997       1.00133998       9.94792005       0.66943357       0.39923035       0.23036037
Li       3.47813005       5.02232995       7.16930002       0.32636133      -0.43528523      -0.22460538
Li       7.67239998       3.44847998       1.81754995       0.54770501       0.78918752      -0.07795366
Li       0.73286098       2.22139996       2.03440001      -0.31393725      -0.30559112       0.18966142
Li       5.60681999       6.57283003       0.18311986       5.91151621      -3.30752364       0.92594768
Li       7.30573997       8.89272995       9.49463996      -0.48248487      -0.31823171       0.23482748
Li       2.09790995       9.07832999       7.14195003       0.20791496      -0.93559897       0.32871749
Li       5.37393002       1.03475996       0.18767497      -0.69834735      -0.52885648      -1.80068334
Cl       6.36352002       1.88351003       1.62800997       0.13452306      -0.04019393       2.02136702
Cl       4.45279999       2.69436996       6.00302000       0.64598644      -0.08888070       1.21141444
Cl       9.97681004       6.63631005      11.17080002       2.01588949      -0.24885173      -1.52530834
Cl       8.15800005      10.54959998       3.62996997       0.10760146      -0.48888491      -0.27771966
Cl       2.56325001       4.88825003       9.04983002      -0.48408621       0.30607898       0.58794965
Cl       8.32579000       9.50652005       7.56244996      -0.06746642       0.12351441      -0.36315366
Cl       9.87966001       0.62151095       6.40788002       0.06312546       1.66705971      -1.83631012
Cl       6.16781995      10.46200004       0.13567597      -0.88730382       0.01842366      -0.18619484
Cl      11.05070000       0.14121987       2.18727000       0.02266606       0.39412962       0.02365170
Cl       1.59879004      10.95829996       6.64572004      -0.00909393       2.20701884      -0.34800897
Cl       0.13011992       8.52450999       8.28463002      -0.49016810      -0.59137357       0.05719641
Cl       0.90171699       9.10845995       4.33256996       1.60265680       0.46203876       1.46572225
Cl       7.57760998       7.90976996       0.38950602      -0.52340616      -0.04837329       0.86026911
Cl       6.69346006       1.38519996       9.46427005       0.72601161       0.06134905      -0.79726239
Cl       4.22550997       7.50510999      11.40949998      -6.11124732       3.38511647       0.01030861
Cl       9.15641997       3.47727998      10.52830004       0.65805813       0.25321293       0.05869236
Cl      10.78059995       7.56951999       2.92881999      -1.10443904      -3.18473278      -2.67615648
Cl       1.28174996       9.12696995       0.20037395       0.45649023       0.57531167       1.10770053
Cl       1.85094998       2.56171998       3.99672995      -1.07341307       0.07312261      -1.40049393
Cl       9.79511003       4.37945003       2.21958998       0.23332419      -0.49114000       0.54425232
Cl       6.01628005       7.30278001       8.18548005      -0.13679204      -0.55477385       0.96794111
Cl       8.10715999       4.47935000       7.49191999       2.08927260      -0.27246767       2.05892103
Cl       1.82919995       2.73971004       0.23543298      -0.42396149       0.44178451       0.09831333
Cl       4.51153000       9.70530000       5.19697002       1.54392428      -0.33879092       0.57741241
Cl       7.69301997       3.01613000       4.84034998       0.63831547      -0.50674623      -0.68876060
Cl       2.74997997       5.31395005       5.14942995       1.08586091       0.37540589      -0.04634708
Cl      10.84810003       0.20566196       9.31432999      -0.86436250      -0.34768288       0.88585917
Cl      10.90930002       5.64683995       5.73123001       0.39056687       0.54840696      -0.20475692
Cl       6.22794001       4.50889001      11.39939995      -0.87110868      -0.00142509       0.12388528
Cl       7.02359005       6.99973002       5.17073001       0.62749336       0.07998936      -0.97622897
Cl       3.45859996       1.10869001       9.61438001      -0.66916178      -0.01496420       0.96256068
Cl       3.16789001       8.87276995       9.04387994       0.46312011       0.63726554      -1.03862280
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.33793724 stress="-0.017817093758206462 -0.0065490101489315165 0.0005375788217218755 -0.0065490101489315165 -0.018587470378346942 -0.005622234329884438 0.0005375788217218755 -0.005622234329884438 -0.017738856809562553" free_energy=-223.33793724 pbc="T T T" config_type=melt 
Li       0.65402101       3.87137997       5.18800003       0.09442937       0.09524358       0.37153738
Li       0.34747797       8.25241998       5.73343998       0.16360358      -0.35318908      -0.02284749
Li       2.71608995       6.98523000       8.24246004      -1.73538051      -1.73848145      -0.86901818
Li       5.70260003       1.67971995      10.90120005       0.14693729      -0.00950367      -0.11962500
Li       5.67543003       6.50356996       5.36351002       1.76549443       0.15208636       0.90172771
Li       8.38136000       4.68067995       1.11376994      -0.09402737      -0.18091270      -0.32274998
Li       5.88191995       3.23183994       3.22958996      -0.23078121      -0.32690711       0.03122637
Li       4.10269005       9.70799996       7.16977005       0.97730011      -0.59597862       0.42451687
Li       8.18862997      10.39240005       0.02507444      -0.59804688       0.67816807       0.08960952
Li       1.76350997      11.35980003       8.95642996       0.65483575       0.56375180      -0.95875638
Li       7.69292998       5.22551998       8.97996005       0.66778604       0.57827936       1.09900027
Li       4.67513996       4.83846995      10.42920005       0.50214680      -2.68796837      -0.44412511
Li       0.54298201       4.76508996       2.14567002      -0.31209410       1.46132334      -0.26825066
Li       4.57660997       4.28022004       7.31253003       0.13758479      -0.02961089       0.24376807
Li       2.54286996       7.70294999       0.27470903      -0.72684896       0.03802086      -0.16328225
Li      10.43650004       1.62123997       3.40221004      -1.51601760       0.86003537      -0.74857684
Li       4.67670999      10.94100002       1.71166998      -0.52804189      -1.06350621      -0.70436764
Li      10.36800005       7.87202003       9.84924000       0.49702872      -0.16669647       0.00027222
Li       9.97761999       2.33203004       9.84101002       0.27366490       0.84283127      -0.15759215
Li       7.81698003       0.24095796       8.28324995      -0.82671908      -2.13344633      -2.97915241
Li       5.79125996       7.63056005       0.91894104       1.33044333      -1.53165261      -2.12272496
Li       8.78516003       5.88830005       4.67234003      -0.02021208      -1.49453384      -1.01357039
Li      10.08300000       8.40874003       2.49409999       0.47749031      -0.19893027      -0.08071862
Li       2.16344000       1.20426003       5.89430997      -0.06140899      -0.22085740       0.16308489
Li       1.28842000       4.51672997       9.73531005      -0.25507210       0.05634509      -0.16338241
Li       8.29544004       2.86972002       5.40449998      -1.19620841       0.42934291       3.92524165
Li       1.93144000       1.44988005       2.49982995       1.48914001       0.26983930      -1.51438290
Li       6.32089996      11.32179995       4.55822000      -0.32383070      -0.52290690       0.33079678
Li       7.06142997       8.32244999       7.60436005       0.23112366       0.46884127       0.05055247
Li       3.06368005       5.85741000       4.26980004      -0.43895701       0.45409713       0.43478271
Li       3.35135002       9.97118005       3.67977998      -0.30608150      -0.35866179       0.10282868
Li      11.45641903      11.08679998       0.65376204       2.26324858       0.58486075      -0.29087194
Cl       6.25893999       3.18785001       1.12607994       0.19816539      -0.38870341      -0.22389575
Cl      10.25359995       5.05862998       9.80536001      -0.13651979      -0.44357533      -0.60188848
Cl       6.46248003       6.21778002       7.57610002      -1.15700725       0.73180986      -0.40830183
Cl       9.34932001       6.37631003       2.14136003      -1.28148627       0.08269960       0.69995459
Cl       7.08564998       1.82236001       4.57255998      -1.71630996      -2.91383244      -1.84193388
Cl       2.00249997      10.72729999       1.33401000       1.02758952       0.05072820       0.87984315
Cl       8.39713003       9.65232999       9.54641999       0.30496406      -1.81258136      -1.06315422
Cl       2.25761998       4.13409999       3.22851003       0.44957145      -1.30495022      -0.15706865
Cl       0.19811399       6.99484004       0.35094798       0.98579247       1.02850078      -0.24217997
Cl       4.93940995       8.62914001       2.28772002      -1.21024156       1.29152778       1.50823765
Cl      10.54950001       3.59325000       1.22556995      -0.32167269      -1.91667039      -0.03331027
Cl       1.05145998       2.18028997       7.55994995      -0.50263698      -0.88551716       0.13078084
Cl       6.26374995      10.52779996       6.84775998       0.09324386       0.08976875      -0.28933858
Cl       6.27725005       5.77633003      10.91969996       2.51796122       1.88611626       0.81992511
Cl       7.78278001       3.54123002       7.89439005       0.00296038      -1.83247693      -1.29168037
Cl       0.29506202      10.80180004      10.18590005      -0.95686005      -0.21908988      -1.23832297
Cl       2.38444002       4.78309002       6.60612001       0.54467790       0.71661801      -0.22230755
Cl       6.36004004       4.73780004       4.70730001       0.04608806      -0.45555999      -0.57253470
Cl       9.69935004       3.84779003       4.89860996       4.64670674       1.91130872      -1.50967841
Cl       8.57080001       7.71745999       5.29317001      -0.05020900       2.35653230       0.80647715
Cl       9.82840998      10.72100003       1.48748002      -2.85521652      -0.67761338       2.26742566
Cl       5.53717999      10.83559995      11.37520000       0.91838127       0.31216208      -1.40997317
Cl       3.08115001       5.82302003      10.44430000      -2.99198486       1.99511283       0.55861428
Cl       4.47103003       0.67818095       3.26501998      -0.56902361       0.87419617       1.52118415
Cl       8.17019002       1.17697000       9.80928997       0.33257659       1.98251889       3.97109197
Cl       0.78224005       1.01623001       4.03123995      -0.29325341      -0.55189476       1.83285545
Cl       4.12645997       7.60055001       5.10034999      -1.61024008       1.34126955       0.12979991
Cl       3.93426005       8.31414000       8.83732996       1.96914467       2.43236336       0.98138437
Cl       2.62802995      10.35020004       5.91811004      -1.07870427       0.91308152      -0.57395216
Cl       0.69130801       8.06399995       7.97294995      -0.54767333      -0.10764326      -0.15256143
Cl       0.90691604       7.15181000       3.64968005      -0.16074786       0.44257290       0.60945282
Cl       3.55967995       3.06808004       9.45234995       0.89943462      -0.84810177      -0.10989501
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.12954681 stress="-0.013753297435458374 0.004653088207140065 1.3146134905827733e-05 0.004653088207140065 -0.022722377406694465 0.004563516434504697 1.3146134905827733e-05 0.004563516434504697 -0.010821094793745727" free_energy=-223.12954681 pbc="T T T" config_type=melt 
Li       3.61334000       5.77538996       4.78560999      -0.11796426      -0.35188432      -0.78639165
Li       0.26056004       9.33805005       5.33955002      -0.66491779      -0.23226434      -0.55164484
Li       6.22767002      11.42448379       3.53288001       0.07249338       0.59343135      -0.05954713
Li       1.01266004       3.59743996       0.32356394      -0.24130827       0.18844565      -0.21304334
Li       9.62375997       5.35361004       0.38033896      -0.16035140      -0.03247954      -0.57885312
Li      10.27649996       1.60702002       1.86712998      -0.22474585      -0.01804782       0.79795278
Li       2.96711000       2.19934005       2.67550996       0.29628934       0.05222976       0.35580485
Li       2.50078000       7.40557000       7.79483998       0.66735697       1.09658819      -0.64238568
Li      10.99860000       9.03216001       1.22005001      -1.65508605       2.03065994       0.72220080
Li       4.04968999       8.94547996       3.89941002       0.84352872       0.12358325       2.30611373
Li       4.34353004       3.75410004      11.42589997      -0.00810426       0.11612868      -0.12060391
Li       9.68098002       9.96298997       7.64390001      -0.21761508      -0.24021715       0.15537122
Li       4.88606001       6.71984005      11.03839997       0.10841384      -0.11217394      -0.16493260
Li      10.69730003       5.08901996       4.45209998      -0.76524042       0.90435738      -1.27322692
Li       7.26478005       3.81192002       4.15314996      -0.61520273      -0.24731823       0.07545292
Li       1.88469004       6.48438002       1.96028998       0.21102051      -1.18684457      -0.07186030
Li       6.02492996       1.43839995       7.87207002      -0.93183537      -0.46942762       0.28230030
Li       9.82844999       2.83412996       9.17609003      -1.08633984       0.46190486      -0.00656782
Li       5.10711999       8.82290996       7.08854001      -0.26304175       0.11555415       0.37718387
Li       9.03279995       1.83313999       6.41227004       0.58697339      -0.95425082       0.28613542
Li       6.70385999       4.79892002       7.36269004      -0.57747536       0.44707463      -0.06071676
Li       8.98680995       0.12258697      11.09610003      -0.28336994       0.40358575      -0.17232483
Li       8.71640003       9.17295994       4.03922998       0.03676110       0.38294376       1.49033712
Li       0.05096102       1.52882996       4.91191999      -3.46553012       0.53340178       0.55935170
Li       8.88180002       7.88628997       9.80022998       0.17142423      -1.33913631      -0.84405021
Li       1.51382001       3.84626998       7.50374001      -0.03007994      -1.31454209      -0.06530896
Li       0.84578494       6.80858997      10.03620006      -0.14532088      -0.08411241      -0.02156726
Li       9.77340998       6.23411994       6.86182998       0.28861548       0.49513685       0.75796795
Li       3.41822999       9.37257003       0.89988901      -0.16928775       0.36576323      -0.06757215
Li       2.24552001       1.13418003       9.59486001       0.58252184       0.44522570       0.08786059
Li       3.26734000       0.34013900       5.89904002      -0.77431224       1.05489730      -2.59328023
Li       6.89674994       9.19571998       0.52993898       0.80306500       0.36880841       0.28707198
Cl       1.84675004       1.27640004       4.65550004       2.39172566      -0.15716828      -1.25798867
Cl       4.95395996       1.73391997       5.00745000       1.29214019       1.42512229       0.19994508
Cl       3.94531001       8.14237997       9.41371005       0.54403291       0.81570254       0.38484449
Cl       1.94750994       8.20430004       5.66432997       0.93025649      -0.33363906      -0.12163375
Cl       0.29021000       2.11165000       9.40164000       1.89505276      -0.49360745      -1.74656571
Cl      10.21510003       8.17499000       3.23404005       1.70672947      -0.99689443      -0.40071577
Cl       4.64883998       6.54985997       6.45541001       0.89462244       0.15404213       0.42985098
Cl       7.07941995       9.44244997       2.94424999      -1.30032620      -0.19848779      -0.62373238
Cl      11.26950002      11.32789998       1.14462995       0.52277645      -0.24841952       0.27990546
Cl       8.21639004       5.17750998       5.74648003       0.37899417       0.55755693      -1.21701373
Cl       6.72422995       0.05861996       0.43052201      -0.27660351       0.10759077      -0.01408432
Cl       4.14026996      10.89449998       3.60521997      -0.81674772       0.17942910      -1.21884568
Cl       7.47944995       6.87091003      11.42540002      -0.81973789      -0.41885371      -0.02569722
Cl       3.31008996       7.90653004       2.50952999      -0.07814905      -1.43590175      -1.73849506
Cl       2.90445002       5.66075002      11.05610001       0.25981274      -0.54872651       0.86073273
Cl       0.92820097       4.53702003       2.52804997      -0.41443341      -0.23226063      -0.05762093
Cl      10.60499997      11.05329998       5.91812999      -0.23245434       0.92084337       0.11334521
Cl       8.19504000       0.61487600       8.60676999       1.19840358      -1.89769925       0.82536380
Cl      10.05469996       2.63487000       0.03164050      -1.27093197       1.32976353       1.22469400
Cl       0.22822504       3.81642995       5.59262996       0.50451190      -0.64222179       1.61200190
Cl       7.47406999       2.83282006       7.27050003      -0.80739925       1.70240965       0.14727934
Cl       4.26806997       2.98293999       9.08192003       0.25397742      -0.16285865      -0.42834999
Cl      10.00100002       5.30516004       9.34928997      -0.85980977      -1.03898593       0.74262537
Cl       9.27929997       9.42433996      11.02370001       0.24345911       0.60778562       0.42483142
Cl       2.73862999       2.28037004       0.28953005      -0.03614623      -1.14486883       0.85567109
Cl       8.97686997       2.20978000       4.32834995       0.26604213      -0.20970944      -1.66908785
Cl       4.22967999      11.12850004       7.32907998       1.76108218      -1.90569379       3.15910668
Cl       0.57900198       7.49740003       0.75080499       0.31932070      -1.23606560      -1.83427800
Cl       4.95191003       4.46986996       2.56669995      -0.02231734      -0.02561729       0.13608446
Cl       8.72925997       8.22410000       6.11262001      -0.58266380       0.70110631       0.67781070
Cl       1.56697002       5.70947000       8.23201998      -0.01047349      -0.85039398       0.08874828
Cl      10.93190002       7.79285001       8.34151005      -0.10608085       2.07969996      -0.05595942
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.59861612 stress="-0.010265966015524073 -0.008657157469364567 -0.0015277715129670179 -0.008657157469364567 -0.01941567275177656 0.00909129639697711 -0.0015277715129670179 0.00909129639697711 -0.0113242971370663" free_energy=-224.59861612 pbc="T T T" config_type=melt 
Li       8.67221005       6.97538000       4.58527995      -0.17610195       0.31194845      -0.53271362
Li      11.05360000       1.56284001      11.01079994      -0.21981447      -1.95712423       0.23846851
Li       0.84640402       0.02721987       7.23223995      -2.91949259      -1.10636373       0.16344761
Li       8.47488995      10.08690003      10.52460005       0.01048150       0.11409532      -0.17033204
Li       1.87265003       3.46192002       9.37601000      -0.41757343      -0.19972428      -0.15911622
Li       8.75427996       5.53615004       9.88813005      -0.11994091      -0.06232698       0.21206861
Li       2.92577003       1.48049002       5.67293002      -0.02249520       1.34433830      -0.97095585
Li       1.32332999       0.62994603       2.81406002       0.08517489       0.25716940      -0.00848991
Li       0.29409902       4.91908000       4.62870996       0.46994240       0.40640265      -1.04249052
Li       3.29983998       8.78375004       7.77900999      -0.19060892      -0.39085065      -0.41253528
Li       9.27687000       0.61533698       4.87999002      -0.44953081       0.35092714       0.03433245
Li       4.62236001       0.00230409      10.47939995      -0.04999384      -0.29375099      -0.04338711
Li      10.72420005       7.07936996       0.60142496      -0.19298161      -0.26983197       0.33972836
Li       6.90221004       0.54630298       1.70153006       0.89501638       0.01174672       0.36975116
Li       4.56934999       1.99348996       2.72781998       1.36886153       2.10593761      -1.46315798
Li       2.17435996       4.56935996       1.00659005      -0.15379327      -0.81688833       1.28313747
Li       7.12486000       3.30615003       5.17135997       0.16037317      -1.01771399      -0.65552015
Li       5.12378000      10.31079994       5.28684001       0.20368069      -0.23883070      -0.43296638
Li       7.01693997       4.61221000       1.83576004       0.00319735       0.78259396       0.26611069
Li       9.80671005       9.81385997       2.24614997      -0.39347098       0.47406299      -0.46034799
Li       3.85831997       7.34963005      10.36630001       0.67237032      -1.35935385       1.10091906
Li       6.46825998       8.38257005       1.29554998       2.78982796       1.74209195       0.27097403
Li       3.51262997       5.22538998       6.25508995       0.34583157       0.44883081       0.41886632
Li       1.44155996      10.16499998      11.30099997      -0.15364653       0.19132688      -0.11280855
Li       9.48850004       8.53668002       7.56129001      -0.12999770       0.92290592       0.67853689
Li       3.49790995       7.25108000       3.19985002       0.61962230      -0.04639340       0.26722851
Li       0.53116004       7.07464003       8.55127003       0.52174028      -0.60308519       0.50383695
Li      10.23850000       3.53014005       7.55491002      -0.42777008      -0.04278045       0.80818540
Li       7.79162998       0.83759395       8.32737000       0.62104512      -0.06938100      -0.31767597
Li       5.17569003       3.41361997       8.73334000       0.65648233       0.54353595       0.05096387
Li       6.33438998       6.17587005       7.14139000      -0.40455722       0.38852273      -1.12726023
Li       0.66302999       8.09097999       3.81258999      -0.25336283      -0.02562329       0.27998753
Cl      11.05589996       3.49362001      10.71389997      -0.23625298       0.47987740       0.49100521
Cl       0.68526095       9.12119000       1.67439995       2.61449017       1.26890391       0.22823986
Cl      10.31490003       8.71950995      10.79729997      -0.46971198      -0.13884076      -1.31062931
Cl       5.00837998       7.24576998       1.38515995      -4.07128514      -2.15097124       0.31224600
Cl       7.92071995       3.02245003       7.03118995       0.21574820      -0.82795226       1.48089910
Cl       6.31251005       5.15913996       4.90804002      -0.45193014       1.37843154      -0.24876256
Cl       0.94153301       8.84619999       7.87116996      -0.07851414       1.96592442      -1.48843259
Cl       6.60910004       5.56495003       9.03916996       1.49704403      -0.97384297       1.53629753
Cl       9.39872005       0.09051554       0.66027902      -0.02416595       0.39875733       0.59242205
Cl       2.17466995       5.20938997      10.60300002       0.68520744       1.28634176      -0.70905800
Cl       7.85066002       6.34903995       0.93251394       1.13186806      -0.04784664      -0.76615002
Cl       5.89596002       1.40435998       9.24142004      -0.54203222      -0.15008247       0.49027103
Cl       7.47134001       9.83838998       8.06850003       0.20776477      -0.14016127       0.00205363
Cl      10.82419998       5.47899005       8.77589001      -1.16643544      -0.43881511      -0.35120075
Cl       2.68120002       0.48560294       7.33685001       2.34978765      -1.42197644       1.82488467
Cl       3.48719004       3.27097005       7.31830001      -0.30328890       0.71105025      -0.14456731
Cl       3.62186002       0.72466001       3.76415994      -1.33336380      -2.53085802       1.30688114
Cl       1.84424005       1.15006001       0.52188395       0.11907444      -0.72176080      -0.35911117
Cl       7.43819001       9.24570000       3.36098001      -0.00281365       0.20588630       0.44169494
Cl       4.20919000       8.11946999       5.45235005       0.24521752       1.01737217      -0.11998026
Cl       0.00485661       0.25007504       5.08548002       0.05002364      -0.21428029      -0.84435749
Cl      10.16820001       7.07685000       6.23669000      -0.33489669      -0.07188812      -1.20219471
Cl      10.48210002       3.76906998       5.50631001      -0.78285014      -1.30069720      -0.38967347
Cl       2.11090001       5.85679999       4.71869000       0.42968522       2.04819327      -0.00605619
Cl       1.90818998       3.62248001       2.94540995      -0.03595153      -0.94065453      -0.48635129
Cl       6.16845002      10.47440004       0.42462295      -0.45402731      -0.34134485      -0.78352467
Cl      10.34620004       0.32918798       8.63833998       0.02166982       0.47943541      -0.00130202
Cl       6.91911996       1.26915003       3.95357003       0.64434253      -0.60245763       1.37328677
Cl       2.98667998       9.10674994       9.97848004       0.15772754       2.17182224       0.96270629
Cl       4.03944001       6.51552996       8.42489996      -0.78569977       0.18716552      -1.78522104
Cl       6.43158002       2.68743006       1.47082999      -0.97750978      -0.00395478      -1.18327589
Cl      10.14840005       7.76791004       2.72183000      -1.06743699      -2.47718989       1.76017487
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.23429162 stress="-0.016169806364459464 0.0002949494667847796 -0.002606603133376592 0.0002949494667847796 -0.012829662849365677 0.0024385436969172384 -0.002606603133376592 0.0024385436969172384 -0.014585484750321481" free_energy=-225.23429162 pbc="T T T" config_type=melt 
Li       6.82691998       7.64355000       4.58017995       2.68941152      -3.72938553       2.11163432
Li      10.26250001       0.25596894       2.34708000       0.44056679      -0.87516309      -2.75351105
Li       8.72388999       0.86435903       5.43777001      -0.21889084       0.27106628      -0.58931193
Li      11.45979996      10.18619996       8.42927003      -0.04782753      -0.32184901      -0.75657355
Li       3.44043000       4.74646004       9.13902006      -0.32410748      -0.42787646       0.55905015
Li      11.39440003       4.20975003       0.23611602      -0.41957613      -0.28604197      -0.74970966
Li       3.60226998      11.31079998       8.37229003       2.66721124       1.87344316      -0.84163888
Li      11.30660004      10.12920001       4.95514995      -0.03118605      -0.17789672      -0.57239478
Li      10.17519998       6.28592003       7.23387005      -0.00901498      -0.05211840      -0.08616410
Li      10.31079994       8.35556996       1.36192002       0.16211567      -0.09039230      -0.07808886
Li       5.88664002      11.05769997       3.54620999       0.19912503      -0.10506416       0.26048879
Li       9.80697006       1.40738002       9.58308998      -0.54571402       0.28098434      -0.12722566
Li       2.62928999       5.44507997       1.59432998      -1.64131803      -1.26481331       0.18521283
Li       7.54224004       4.16843998       9.19232999      -1.80529107      -1.18056231       0.31232703
Li       4.63291002       2.57553994       3.15079998       0.20627431       0.54842799       0.31312619
Li      11.30019999       3.48316001       3.99272994       0.22543433       0.79233878      -0.08766112
Li       8.49031996       3.07933005       1.68489997      -0.28852072      -0.88169162      -2.41998636
Li       2.16313998       0.61118003       3.44303995      -0.42725326       0.03363808      -0.08662703
Li       6.22222999       5.58092000       1.93905997       0.47568173      -0.66327782       0.23777226
Li       5.78148001       1.42444999       0.40099805      -0.77832579      -1.05403095       0.04059080
Li       1.81804004       8.92852005      11.39639997      -0.02852540       0.41641526      -0.52026806
Li       7.56288996      10.66390000      11.26840002       0.20048909      -0.02677167      -1.36934055
Li       4.28501005       4.42856003       6.12572999       0.22522819      -0.33110289      -0.87418583
Li       2.68964003       8.41957996       5.95831997       0.05654200       0.60601862       0.40107255
Li       8.29682996       6.86313003      10.71960001       0.34200679      -0.32483546      -0.30507717
Li       4.15594002       8.68735998       2.02891000       0.53966022       0.12544606      -0.22112717
Li       0.95940399       6.95501004       9.05036999      -0.35394906      -0.99361349       0.82701457
Li       1.11925996       0.56761405      11.08349999      -0.19433212       0.51065139      -1.17980372
Li       4.37050996       8.52449005       9.18402997       0.80281225       0.36768283       0.81438619
Li       5.97933996       1.46977000       7.18200003      -0.89855503       1.71409753      -0.51043885
Li       8.44550001       4.73474000       5.26037999      -0.12034432       0.57429090       0.75584494
Li       7.39590000       8.90988005       7.71168004       0.08287117       0.27286927      -0.34514491
Cl      10.45529997       1.53651997       3.69454001       0.65217086       0.48264306       2.41164829
Cl       9.51274997       9.88539995       2.73744000       0.77736591      -1.99639845       0.83146598
Cl       0.55034896       5.02529002       2.05558004       0.02791399       0.30768054       1.09128055
Cl       5.06214998       3.28796997       1.08139998      -0.52790172       0.03602174       0.43944562
Cl       6.11724000       4.60267000       7.27596001       0.15508544      -0.18973796       0.75769859
Cl       2.98386997       7.05249998       9.67518002       0.70525482      -0.31532718       0.42745208
Cl       9.89517004      10.80889999       6.42517997       0.16161243      -0.14918945       0.86564099
Cl       4.33500004       6.28856003       1.31422001       0.72910576       2.56256591      -0.68863188
Cl       6.98651996       8.43318004       9.86721003      -0.14809545       0.21828901       0.29418547
Cl       0.71202305       8.09997005       7.34981004      -0.48554707       0.18953635      -1.26019567
Cl       8.73809996       3.85057998       3.41778002      -0.03161906       1.12237525       1.58793772
Cl       9.09463002       5.32151005       9.11056995       1.75162888       1.20270168      -0.49773700
Cl       6.59171996      11.17349998       7.72474003       2.23930324      -0.81569602       0.60910161
Cl       1.12399001       4.49450005       9.84944005       0.59125322      -0.24588303      -0.65863179
Cl       2.04197997      10.67700000       9.10189000      -3.30364737      -0.88488102       2.04912963
Cl       8.05895005       5.20375997       0.69250500      -0.10228662       0.51990894      -0.07024521
Cl       4.14262999       1.99074002       8.57547995       0.00262398       0.83788090      -0.18069990
Cl       1.23030997      11.18949998       1.47781002      -0.04101831      -0.67272266       0.82185269
Cl       7.03143999      10.80419997       1.74775002      -0.71791889       1.04282146       0.14423054
Cl       5.64599997       5.30777997       4.13379997      -0.16283599       0.04272986       0.56305641
Cl       4.31688006       9.61566997       7.43229003      -0.37673744      -1.89184653      -2.24982486
Cl       5.78685000       8.81762997       3.78393995      -3.60209945       3.16218275      -2.01455761
Cl       2.03625000       9.87680999       4.23077999       0.23980867      -0.38369312       0.42140023
Cl      10.80550002       4.45643004       6.02821998      -0.10315004       0.03101961       0.17352730
Cl       2.52434001       2.76552003       4.18084995       0.41807938      -0.17229212       0.05469556
Cl      10.55979998      10.96409997      10.18090002      -0.93121098      -1.43341474       0.12450656
Cl      10.59479997       2.04246995      11.45890002       0.86033971       1.40426885       1.32031021
Cl       6.39873004       1.51430002       4.59986996      -0.23366245       0.02392597       0.27163491
Cl       7.60148997       1.93037004      11.03219997       0.63851045      -0.03849890      -1.23224529
Cl      11.20009997       7.30308003      10.94530004      -0.18363369       1.00184651       0.74474632
Cl       4.23077999      10.60249995       0.14256406      -0.19086994      -0.71730454       0.20859125
Cl       8.46910003       7.32533999       6.00464002       0.00947925       0.11760400       0.29498934
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.53103019 stress="-0.01356910604471604 -0.007049046617819677 0.003592630484849976 -0.007049046617819677 -0.018798963284685076 -0.0038900825783414156 0.003592630484849976 -0.0038900825783414156 -0.012077975579457412" free_energy=-224.53103019 pbc="T T T" config_type=melt 
Li       4.10572005       3.38720994       7.48356001      -0.97856663       0.19180011       0.11491087
Li       2.16537999       0.85511996       6.91703003      -0.39773959       0.52457122      -0.07858554
Li       5.69122002      10.28529995       9.49245005       0.00285211      -0.75784148      -0.27792612
Li       1.31863995       5.10070997       4.06288996      -1.92242150      -0.81050712       0.95734414
Li       0.24821794       6.41989998       0.91403295      -1.84261094      -0.50226851       1.21299232
Li       0.82049096       4.65736000       7.74907996       0.19530801       0.18938409       0.07857800
Li       3.72804998       4.83541002       1.59196994      -1.30054167      -0.97573127      -0.87092018
Li       8.69904002       7.25284997       9.99250005       0.52702319       0.95180933      -0.06344458
Li       3.51108997       7.45235997       8.56417996       0.12541122      -0.54897694      -0.38846541
Li       3.62600001       0.62219205      11.06270000       1.95727727       0.84591868      -0.19697648
Li       6.17293004       7.87472996       1.89159005      -2.99200919       1.68471264      -0.74064718
Li       7.92971999       1.00598003       8.33078005       0.73744739      -0.45245288      -0.98962424
Li       5.73298003       6.75711994      10.82480002       0.14127729       0.56841820      -0.56202663
Li       9.93702005       9.40792002       0.34520300      -0.45610437      -0.07404265      -0.05109267
Li       5.56991005       5.46715995       3.61326995      -0.15332932      -0.24877211       0.36483996
Li       7.18677995       3.00560006       5.65240999       0.21669138      -1.67977612      -0.13280785
Li      10.20170001       1.63900995       6.17783996       0.11291452       0.11290357       0.20476777
Li       3.60075004       1.58376003       2.80423995       0.23751640      -0.03287450       0.12831734
Li      10.41269997      11.23429998       3.40336999       0.67162891       0.14398506       2.91939982
Li       6.61338000       4.21916002       9.01700996      -0.99270229      -2.92206295      -1.88874982
Li       9.63869999       2.96995004       9.46575995       0.17663104       0.24984547       1.29305174
Li       2.10206999       8.71022996       0.67328101       0.49995024       0.67687751       0.66390051
Li       6.50654999       7.55981994       6.28952004       0.53614932      -0.35946822       0.11379483
Li       0.69327700      10.43459995       9.38361999      -0.02287106       0.11699669       0.13795503
Li       9.11550005       5.10970003       6.31626002      -0.29946467      -4.09563249       0.88896487
Li       5.49281999       0.40819200       4.73397006       0.41209489       0.02309938       0.30059637
Li       1.66814000       3.08467997      10.81799999      -0.31813942       0.02748905      -0.30441464
Li       0.08427381       1.08850003       0.78540201       0.77856775       0.76156562       0.14420489
Li      10.11680002       3.31166997       2.52760997      -0.14503842      -0.01300904       1.60938944
Li       1.98638004       9.75723996       4.56745998      -0.09446722       0.28051391      -0.37985590
Li       9.64787004       7.67169997       3.57579999       1.04015740      -0.38712952       0.73227006
Li       6.60712004       1.96098999       0.61620001      -0.10822700       0.06484921       0.63221694
Cl       6.08660997       1.02888004       2.55898002      -0.00041511      -0.55833948       0.51288065
Cl      10.85180001       1.42721001       8.71562000       0.73363990      -2.11583274       0.19327689
Cl      10.42680000       2.94213999       0.59330802      -0.24218736       0.08185206      -1.32223137
Cl       1.83634999       0.05631988      11.44449997      -2.07488589      -1.24717597      -0.01999860
Cl       4.38865000       2.81833001       0.84466099      -0.72942590       0.19645816      -0.78924518
Cl       1.40935004       1.87091995       2.70232995      -0.20600313       0.25655327       0.10393572
Cl       8.88847005       2.27247001       4.29171997       0.48349815       0.15802632      -0.29967987
Cl      10.91800004       8.27386999      10.07530001      -0.32420204       0.43017081       0.11381178
Cl       4.87398996       2.52677995       5.70929002       0.09044036      -0.61564111      -0.47772565
Cl       1.27052001       3.08256000       6.40925998       0.00162449      -0.07805480      -0.73113430
Cl      11.31430002       4.41740998       9.62173996       0.32522993       0.98047600       0.22140910
Cl       5.25838005       6.07904996       1.38038003       1.31725069       0.04214384      -0.59366756
Cl       7.92562001       7.83686000       2.45733003       2.78375695      -0.19523646       1.22425102
Cl       1.89082997       6.69166005      11.40860003       2.24515180      -0.57470884      -0.73668133
Cl      10.77939998       5.37288000       3.21463997      -0.06615825       0.51163217      -0.43748212
Cl       6.53348004       4.90788995       5.73484997      -0.36963065       2.83235004      -0.12614720
Cl      10.19190000      11.25699994       1.51451004      -1.75116676      -0.89639227      -2.05974243
Cl       7.43133001       5.55995997       9.96438998       1.32814053       1.64792907       1.85406538
Cl       7.51786996      11.44437672       6.48002004      -0.41288084      -0.37612479      -0.05888914
Cl       7.34736998       1.92652997      10.05450003      -0.75420011       0.25878194       1.03542129
Cl       9.10377003       6.84353998       5.83886997       0.16215641       4.67971522      -0.82420286
Cl       3.36409004       9.26813995       9.32612995      -1.21656834       2.63322204       1.30069220
Cl       4.15277003       9.17712996       2.41705005      -0.04279343      -0.07761105      -0.27064320
Cl       2.82871997       5.59024000       8.08313005       0.41598408      -1.05128721      -0.28912459
Cl       7.50656997       9.02561001      11.10780002      -0.41392139       0.20005399      -0.66250728
Cl       5.66264003       7.91956997       8.36103005       1.31421371      -0.42259850      -0.57080457
Cl       0.56111988       8.85090997       2.87961003      -0.34762028      -0.36537258      -0.01943903
Cl       3.11982005       5.34536000       3.47759994       1.93334688       0.48027867       0.66919683
Cl       3.64310001       1.63955003       9.09339004       0.02285211       0.30509687      -0.45706904
Cl       0.07743651      11.37290003       5.78473002       0.07079901      -0.84045675      -0.45956543
Cl       8.65464998       3.15599995       7.60474995      -0.72981975       1.07948293      -1.33958106
Cl       3.43651002      11.25179998       5.48276994       0.10912915      -0.91358476      -0.25533671
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.85851938 stress="-0.0006830224869050842 -0.0013426944520797243 0.004449448199063373 -0.0013426944520797243 -0.004907583719498999 0.000837399143503967 0.004449448199063373 0.000837399143503967 -0.009107843804832032" free_energy=-227.85851938 pbc="T T T" config_type=melt 
Li       4.03407002       1.59266995       7.32411996       0.07609545      -0.35810730       0.03724975
Li       0.51006095       2.20262996       8.36018995      -1.64338888      -0.95531163       2.14278783
Li       3.64455999       7.87415996       6.60899995      -0.11656682       0.01689174      -0.35007724
Li       0.29613703       8.39387005       5.90532003      -0.65326805      -0.48507246      -0.58609931
Li       8.67900997       7.30674997       7.33699997       0.05138750      -0.36412251       0.64082120
Li       3.10455995       4.60824003       6.10182995      -0.61101967       0.41559834       0.61861679
Li       5.92882995       8.26772995       1.47903005       0.39494960       0.40870076       0.33105267
Li       6.14054998       9.77955999       8.04885002       0.12178055       0.60208803       0.24916702
Li       4.36667997       7.01456996       9.36506998      -0.70766875      -0.03222732       0.74439635
Li       3.70202996      11.06440004      11.09259999      -0.10598658      -0.64415276      -0.55651763
Li       9.09578997       8.90998999      10.49000005      -0.12133455      -0.22436004      -0.09629369
Li       9.53542001       0.50654303      11.19019999      -0.47259062       0.59365310      -0.01962151
Li       7.81329999       4.27879996       0.42838805       0.23179608      -0.08482331      -0.05490524
Li      10.98849997       5.13389998       1.77237002       0.11082635       0.25087696      -0.01448946
Li       6.94765995       6.14669002       4.73117002      -0.01336344       0.21949754      -0.35078610
Li       8.56942005       2.13388004       3.41349994       0.84583197      -0.09375442      -0.68747955
Li       2.36001996       2.48676996       4.27628000      -0.92503656      -0.51016372       0.60418420
Li       1.07786004       0.15731996       5.82908005      -0.51898348       0.13720485      -0.33742539
Li       6.52865002      11.45530000       1.02269002       0.44980847      -0.38125524       0.35703672
Li       4.83387002       4.18215998      10.74989998      -0.60352544      -1.10024681       0.22698071
Li       8.59797998       4.08987000       8.41133004      -1.97974240      -0.15459448       0.91823430
Li       1.48573000       9.27471999       2.49204995      -0.51196009      -0.58281678      -0.01090689
Li       6.79956002       2.46324996       6.11806004      -0.02521096      -0.44852906       0.10416936
Li       0.46453905       5.16282000       9.13980994       0.79690896       0.87943374       0.90758893
Li       9.97609994       5.01624001       5.00528004       0.08130385      -0.60736374      -0.30012265
Li       4.75294997      10.95340001       3.82932004       0.65472280      -0.07885202       0.73915273
Li       2.94257002       5.55325004       2.03503995      -0.26355067       0.86400265       0.02944826
Li       1.10810005      10.26580001       9.16598003      -0.01035206       0.15045804       0.24609181
Li       1.31646002       2.08592003       0.88576204      -0.46383433       0.11900348       0.45402296
Li       9.37214000      11.09559996       6.97253996       0.50826333       0.51158374      -0.05860668
Li       8.22432997       9.04387994       4.32465995      -0.03177836       0.21950869       0.37093289
Li       5.57458002       3.68153997       3.54765002      -0.04448456      -0.51911962       0.17361968
Cl       3.09169004       0.49366302       5.07575005       0.53761709      -0.42145382      -0.13421823
Cl       8.25510996       9.35605000       7.45160998      -0.13308638       0.59328671       0.02631975
Cl      10.17379996       0.77672401       8.95530004      -0.47507325       0.73978252      -0.75128245
Cl       6.69853002       1.39573999       4.17638003      -1.43767356      -1.68221487      -0.91497877
Cl       5.28380002       5.85135996       3.14648998       0.06549956      -0.05343315      -0.15512336
Cl       1.65555004       7.86558995       4.40793006       1.11399807      -0.29268828       0.16257703
Cl       6.50764998       4.48267005       9.73404004       1.69250854      -0.02164388      -0.72257665
Cl       1.00444003       7.08419001       1.30069996      -0.10557598      -0.20115956       0.18698993
Cl       3.09421000       3.45809003       2.59373995       0.51289743      -0.53518778      -0.75011092
Cl      11.39749596       2.68550004       3.45987995      -0.07718422       0.21459979       0.31787026
Cl      11.24089997       3.54839004       0.21093805       0.27730152      -0.06423823      -1.02340885
Cl       7.67381994       1.89115005       0.83336397       0.30446517       0.31131133      -0.12192391
Cl       6.95741995       9.80117005      10.94959995      -0.25635110      -0.23309367      -1.02442005
Cl       4.44026001      10.74039999       1.68730002      -0.52181175      -0.10683859      -0.21711262
Cl       1.46973997       2.78799999       6.83056001       1.82025368       0.64935378      -2.42053033
Cl       5.72482996       8.57717999       4.63147996      -0.00567105       0.52836668       0.04967718
Cl      10.81339994      10.62300003       4.59603000      -0.94400283       0.59850497      -2.28847970
Cl       7.93032003       9.79151001       2.34083999      -0.04780223      -0.01656618      -0.18477179
Cl      10.48839999       4.31153999       7.98063996       0.81557677      -0.46325264      -1.50754714
Cl       5.58377002       7.64865997       7.73315000       0.29430289      -0.40285896      -0.19918154
Cl       2.61111005       6.07142003       7.98050996      -0.35859685      -0.19997098      -0.41387618
Cl       3.05129003       0.57506996       9.21875997      -0.32752120       1.46567413      -0.21584104
Cl      11.41209996      10.94830001      11.33883312       1.01359318      -0.69495450       0.89590058
Cl       4.80667996       3.34217000       6.06408999      -0.28521909       0.81981115      -0.30133055
Cl       9.26218001       6.76168995       9.51494996       0.06046357       0.33587029       0.23415316
Cl       9.42180005       7.16156002       5.24475005       0.00864931      -0.21635896      -0.09103064
Cl       3.81008998       5.74587001       0.01262882      -0.22707791       0.98845580      -0.26107294
Cl       8.02303005       3.73258995       4.88659000       0.81235122       2.00249076       1.28634071
Cl       3.02197999       9.15438999       9.84105004       0.27228475      -0.96700925       0.23213873
Cl       0.10368203      10.07450004       7.03226003       1.18469259      -0.13365113       3.71411541
Cl       8.74828002       5.18034005       2.33654994       0.07080766       0.36067445      -0.57769510
Cl       6.44199004       0.93392095       7.57429004      -0.15464425      -0.66523638       0.69820719
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.75357782 stress="-0.01785712342108344 0.009670738998964677 -0.005267360776857492 0.009670738998964677 -0.021855117847441756 0.0012087565346153876 -0.005267360776857492 0.0012087565346153876 -0.009985698737765529" free_energy=-223.75357782 pbc="T T T" config_type=melt 
Li       4.25231002       3.56398994       6.83466995       0.66564393      -0.45078104      -0.37540563
Li       4.97798003       6.42098003      10.74269996       0.23204569       0.16517626       0.21580473
Li       8.59892005       8.74507999       0.08484335      -1.24271913       1.31968187      -0.74570680
Li       0.84018304       7.54599001      10.85500003      -0.64125929      -0.16415547       0.26110550
Li       5.03325002      10.36609996       8.97011005       0.37853398       1.11581963      -0.39079660
Li       6.77551002       1.80155005       6.16857006      -1.07843405      -0.25960854      -0.42080362
Li       6.61783994       6.85182005       2.36177996       0.17358644      -0.07377241       0.82734289
Li       4.25763002       9.30818995       0.74488896      -1.54501081       1.82214462      -0.15814115
Li       5.54230005       2.88159002      10.31160004      -0.26062039      -0.07560099       0.01250584
Li       7.06862002      11.40559994       1.97667003       0.69198037      -0.28598154       0.22324385
Li       3.05562994       1.54833002       0.67219694       0.02319664       0.19389249       0.35244009
Li      11.30330004       4.35026003       4.46831001       0.26786749       0.10775368       0.02126569
Li       9.03357000       4.99883998       1.23707000       0.20153400       0.25206335      -0.11298361
Li       2.86018999      10.70420004       5.74068002      -0.30863351       0.03640454      -0.63038563
Li       5.01300994       4.28067001       2.63139002      -0.28471466       0.21703358       0.69755863
Li       1.81344000       8.02211005       3.72374996       0.08693128       0.34413512       0.01023225
Li      10.43269998       1.22503995       1.43828003      -1.00864907      -4.87975909      -1.02295256
Li       1.94348002       1.77335996       3.99383006       0.15699825      -0.37905584       0.20520662
Li       0.78990495      10.32650005       1.29308997      -1.96196569       1.82245969       1.60309349
Li       0.57823295       0.89190804       8.47556004       0.44066731       0.06187159      -0.24432625
Li       9.24766004       2.89864004       7.40947004       0.05998091      -0.15692605      -0.22191687
Li       9.72147003      10.93169997       4.36958995       0.39000126      -0.18682456       0.05164842
Li       9.32857000      10.25300002       8.01427994      -0.63455551       0.00249450      -0.00599077
Li       7.30784000       7.38539000       8.84007004      -0.89096595       1.14412667      -2.93294954
Li       1.46449999       4.62657004       1.33903995       0.23725037      -0.07832318      -0.12280614
Li       7.98700000       3.50791001       3.57321995       0.09191444      -0.12524809       0.13522613
Li      10.75909995       6.76017999       8.62262004      -0.29269656      -3.29936533      -0.27490197
Li       5.92648000       8.41388004       5.47835998       0.16811717       0.33949354      -0.23397869
Li       3.41180002       7.17058998       7.95975995       0.02039157       0.13117780      -0.24263308
Li       7.99346001       5.88975005       5.55752003      -0.08835206       0.15143127      -0.28808695
Li       2.01752998       3.69906003       9.28773997       0.36826401      -0.49728048       0.17951966
Li      10.08070003       7.44408999       3.53008995       0.69149598       0.33470323      -0.93243959
Cl       2.37725995      10.95069995       3.70504003       0.46777559      -0.62628915      -0.81443982
Cl      10.56819997       8.61978997       8.70489001       0.65949824       2.31265296       0.44473431
Cl       8.07590996       7.84623996       3.91571004      -1.92865432       0.76416738       0.65776716
Cl       8.54579996       1.86334000       5.22639000       2.13664480       1.66156647      -0.08472565
Cl       9.34440997      11.01829999       0.50212802      -0.37175166      -0.07751458       0.26728681
Cl       0.93992801       6.10274995       3.04057001       0.44123074      -0.27770810      -0.14977908
Cl       4.76018004       8.37925997       9.28170001      -0.83338550      -3.40371284       2.52117802
Cl       0.76864501       1.51651996       1.99655001       3.23185164      -1.29621760       0.21899644
Cl      11.34060000       3.51820000       6.51877997      -0.02542144       0.17040390       0.16516863
Cl       3.05340003       3.35751998       2.70261002      -0.03716134      -0.15985066       0.26580482
Cl       2.81148996       1.54358002       9.84245005      -0.20986238      -0.18251992       0.26642963
Cl       5.36873005       0.57755106       0.82054404      -0.66914812       0.12144008      -0.54788200
Cl      10.10349997       7.86107004       0.92333598       2.32799461      -1.53546218       1.17722400
Cl       2.19704995       0.88230200       6.78168996      -0.56539191       1.41583261      -0.00403309
Cl       8.33933997       5.90402996       7.76559001       0.67712922      -0.87490256      -0.96160250
Cl       0.94149300       5.24165997      10.31329996      -1.80660931       1.30136764       0.29563065
Cl       5.79362997       3.90250996       5.03522004       0.26511301      -0.29271668      -0.19613885
Cl       6.70434000       4.69751995       1.36329000       0.66223720      -0.33635206       0.09709397
Cl       5.60858996       7.97873999       0.89908502       0.62340794      -0.59533224       0.63800178
Cl       9.51581999       5.45215997       3.81650000      -0.62216217      -2.54144044       0.13006865
Cl       2.84105003       4.88937995       7.66874001       0.25097330       1.07742233      -0.41106991
Cl       7.61087004      10.99659994       4.15165995      -1.44713260      -1.08816841      -0.87844718
Cl      11.19950005       9.04404996       4.33186995       0.47415487       0.87575674       0.50150381
Cl       4.89890000       6.90974000       4.06712005      -0.52818428       0.23394445       0.27327799
Cl       7.66170999       7.03492994      10.59669994       0.86975118      -1.65272735       2.90260703
Cl       6.59358004       2.57533003       8.09493998      -0.60296556       0.32992199       1.34516812
Cl       7.09685998       9.48587999       8.13344001       1.10333684       1.00408983      -0.91312803
Cl       3.87340995       9.68697000       7.15607998      -0.00057257      -0.54500465      -1.40334117
Cl       3.62864000       4.49099003      11.17110004       1.43974549      -0.00451164      -0.09526379
Cl       1.98077000       9.13580994       0.41784102       1.90980775      -1.38374762      -1.14506630
Cl      10.03349999       2.92639002       1.50868000      -3.17967443       6.54304393      -0.01617112
Cl       9.81631000       0.83774401       8.58653003       0.17960076       0.41338754       0.01415831
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.27474342 stress="-0.024601982495736592 -0.0005001902659145331 0.0008799000757457565 -0.0005001902659145331 -0.011270210047743572 0.0015747327212528005 0.0008799000757457565 0.0015747327212528005 -0.014873579872923834" free_energy=-222.27474342 pbc="T T T" config_type=melt 
Li       9.56765997      10.07600002       3.90689000       0.62115161      -0.05855767       0.68455138
Li      10.88549995       1.27027995       6.18266997      -0.53882235      -1.62659998      -0.78229097
Li       1.33771995       7.56579994       9.77037000      -0.03801779       0.03272651       0.12313235
Li       1.20572000       4.93513997       6.66877998      -0.94844226       1.10654356      -1.88611075
Li       0.20353499       2.74161001       9.75699004       0.10022201       0.47472807       0.06808354
Li       2.40481996      10.51399995       9.14624003       0.22666250      -0.04868241      -0.63883559
Li       7.81680004       5.56078999       0.41617595      -0.85306086       0.18315930       0.55783263
Li       6.43268001       9.01149003       3.38537004      -2.26841537       0.30698622      -1.09264909
Li       7.23752005       8.79581000       0.64562905       2.95118466       0.63175008      -0.58198016
Li       5.09146001       5.35336000       3.43519002       0.02083329      -0.13259337       0.07992177
Li       5.64721002      11.26449999       8.96828998       0.46985263       0.18662224       0.22400680
Li       0.61069796       8.05517005       4.80221004      -0.14011104      -0.52561018      -0.20660153
Li       8.62492998       0.75411599       0.92836204      -2.07012871      -1.58963279       1.63683110
Li       6.49971005       1.04757003       5.26121998       0.09140852       0.30636071      -0.00478438
Li       3.18700005       3.97394996       0.11383503      -1.32769523      -0.30028294       2.16217089
Li       4.40979002       8.47034998       6.81504998      -1.05394489      -0.99060117      -0.67520284
Li      10.06339998      10.51630003       9.16149004      -0.35487008      -0.17145622       0.08591018
Li       6.90705003       2.77617998       2.81552997      -0.46863812      -0.28646058       0.15144321
Li       1.40108005       5.86570005       2.63368001      -0.71155806      -1.03705952      -0.90660881
Li       1.96959003       0.58731702      11.23560003      -0.70269391       0.78824143       0.87836283
Li      10.18069997       3.38517996       1.57281004       0.50205079      -0.07565478       0.20236832
Li       2.14689005       8.95559994       1.61451995       0.20814145       0.22684723       0.33529377
Li       8.31185001       2.68406999       9.55919005      -0.08527698      -0.44955206       0.08882986
Li       4.91047996       6.96250000      10.33430000       0.26621734      -0.13567166       0.21236160
Li       5.04380002      11.09669996       0.67612495      -0.22025340       0.13078147       0.25828705
Li       8.31194997       8.62025003       6.89185997      -2.25787185       1.64406448       0.36405535
Li       9.54306003       6.35803998       9.02489005      -0.39889082      -0.05507699      -0.02943010
Li      10.65180003       6.99507002       0.89409301       0.30811461      -0.29935575      -0.75703151
Li       5.36451005       3.83088996       8.21879995       0.56318633      -0.34433382      -0.77249699
Li       2.16920997       1.77973995       7.74915998      -0.06973634       0.45245673      -0.34552897
Li       2.99568999       1.58865000       3.40764995       0.25417576       0.05493220      -0.78763720
Li       9.22566995       5.52473001       4.58043996      -0.44305951       0.42792648       0.15580946
Cl       8.04182998       9.69955995       2.64696997       0.48786308       1.08217639      -1.69352583
Cl       0.77188597       3.64402999       0.41547697       1.49886140      -0.76570598      -0.15517518
Cl      11.23369994       2.99745996       7.02664001      -1.68192278       0.85223933       0.05518389
Cl       6.53227996       8.08306998       5.06293998      -0.45986660      -1.63326424       1.55294324
Cl       9.69391999       7.48233001       6.21848003       1.66260908      -2.17588611      -0.59040458
Cl       9.30877005      10.82670000       6.29080003       0.42319977       0.29545014      -0.14393416
Cl       7.04757000       5.81827003       9.99423999      -0.24885634       0.34727643      -1.38755622
Cl       9.74122998       5.07440002       0.21221987       0.54134180       0.19156262      -0.94253828
Cl       6.29278003       0.42094704       2.66255005      -1.52036985       1.39481808       0.60981268
Cl       2.56729002      11.29289804       1.96806998       0.07879647       1.25587766       2.06881069
Cl       1.52046001       7.30296997       6.69048003       0.03234559       0.00761575       0.24316979
Cl       5.94353999       9.29001999       7.78489002       1.49171510       1.30449398       1.09126631
Cl       3.43445000       7.99459004       9.13293000       0.00822399      -0.13973372      -0.61243689
Cl       7.06806997       1.64216996       7.96027997      -0.07780411      -0.40561298       1.03946470
Cl       4.16982005       4.04388001       9.93916994       2.03285503       0.77767701      -0.50558348
Cl       2.42010999      10.05729995      11.11390005      -1.10011346      -2.83717982      -0.67932055
Cl       7.12181004       4.96485997       2.32126003      -0.20528326       0.39527780       0.79278178
Cl       4.00581000       3.52559997       2.43789005      -0.22361296       0.25174834      -0.04328975
Cl       2.48934002       7.29742000       3.49565997       1.29011789       1.31903662       0.97123670
Cl       5.39505994       8.78803000       0.97900401      -3.45958521      -1.41431209       0.83772876
Cl       1.95734996       4.06908996       8.20901003       1.48699869      -0.48045186       2.10609252
Cl       1.40234995       7.15827001       0.59098903       0.03387525      -1.04230276      -0.80842887
Cl      10.24390002       8.25279005       2.41690996       1.91645021      -0.18393979       1.35019062
Cl       6.99657998      10.83399999      10.87140003       0.82606229       0.42739052      -0.39918586
Cl      11.12929704       5.01385005       3.74216996       0.20809303      -0.44618169      -0.00705906
Cl       6.42666000       3.42604003       5.74438997      -0.41842184       0.63246985      -1.05038502
Cl       0.33547201       0.49775497       9.25414997       1.27687818      -0.51951150      -0.91901579
Cl       8.98997994       1.94074006       2.76329997       0.67789086       0.14368820       0.82902841
Cl      10.01789997       8.21969003      10.07060000       0.26802856       0.52849905      -0.22744710
Cl       3.84882996       0.88218805      10.26489995       1.02152636       0.76696886      -1.46453804
Cl       2.63030997       1.18655998       5.44278001      -0.27872879      -0.26690830       1.38398862
Cl       9.80611998       1.53728005      11.12759998       0.77911865       1.50977938      -2.10393724
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.70004275 stress="-0.019203303356553385 0.0032066607534409477 -0.005056298409818864 0.0032066607534409477 -0.02368378229177566 0.0004991244595746882 -0.005056298409818864 0.0004991244595746882 -0.019564598423829405" free_energy=-221.70004275 pbc="T T T" config_type=melt 
Li      10.68299995      10.59380005       5.57652001      -1.58994317       2.90645775       1.63815349
Li       6.13399998       7.33596004       0.13328899       2.42937698      -0.59761885       1.44650415
Li       0.63016901       4.17652998       0.66578302       0.03413086       0.17556517      -0.08493219
Li      10.79029999       5.22271994       8.08425000      -0.36710488      -0.49528648       0.58656683
Li       3.82545005       9.90195001      10.91740000      -1.14459132      -1.16212707      -0.76374107
Li       9.37384004       7.35287994      10.91700001       2.84104716      -3.15426720       0.75847726
Li       2.42407995       4.85591996       6.30272999       0.02177048      -0.95668803      -1.02504934
Li       6.64208002      10.67470004       1.85261998       1.61167808      -0.12366907       0.91410977
Li       8.67763999       4.96474005       2.75694005       0.02873257      -0.13835520      -0.97630761
Li       5.53282001       1.89095000       0.04917408       0.87642134      -0.95280074       0.58078140
Li       9.37319001       3.81909001      11.15239997       1.55889737      -1.41274698      -0.64276796
Li      10.80929997      10.90270004      10.74790004       0.05285888       0.18368781      -0.61330535
Li       4.14022994       6.10172000       2.89380005      -0.44565343       0.09613952      -0.12794314
Li       1.25189996       9.92102004       7.71661002      -0.47151428       0.03767589       0.10191553
Li       5.81991000       4.97567996       9.31560000       0.54712172       0.27200985       0.10078476
Li       2.26276996       1.81018999      10.29069997      -0.90129754      -0.02154664      -2.28396835
Li       2.29549005       6.63892000       9.24636997       1.29534560       2.06440445       2.23189189
Li       9.97498000       9.07305998       3.22676001      -0.14138369      -0.37628400      -0.41168999
Li      10.53769994       2.82761997       4.02441997       0.79451009       0.85058097      -0.02661816
Li       1.39722003       8.41222998       1.04323997      -0.66104022      -0.76560254      -0.51670705
Li      10.55399997       0.63748104       1.95308995      -0.15985485       0.19893454       0.15980458
Li       2.89755002       9.09265002       4.50990999      -0.22679238      -0.48079538       0.18053305
Li       3.66261004       2.53177001       2.29960997       0.27254262      -0.07212472       1.63110804
Li       0.07713661       6.50628000       4.30657997       0.26295335       0.07274886      -0.04394281
Li       6.45608996       1.62055005       7.57990995       0.15654848       0.92159386       1.62078578
Li       8.24660002       5.05919001       6.32884000      -0.30367222       0.37074066      -0.51957199
Li       5.78936996       7.26280005       6.89676003      -1.14083327       1.00637832      -1.03841996
Li       7.50076996      10.27869996       9.63531998      -0.30787805       1.18073555      -0.71228923
Li       6.44165998       2.91971001       4.60372001      -0.26891134      -0.08522746      -1.08786463
Li      10.19959998       1.88101998       7.66421001       1.57013356      -2.38134571       1.54219693
Li       1.72638003       0.22033899       3.90358003       2.28862585      -0.78303838      -0.15416558
Li       5.52975996      11.20020005       5.32365995       0.13825042      -0.47202674       0.35493922
Cl       8.44613995      10.44350002       3.83316001      -0.88878832       0.67008250      -0.33116625
Cl       5.15049005       3.99895998       2.64286003       0.53342857       0.88980343       0.23949834
Cl       0.82088304       4.34952998       3.78629002       0.68799930       0.36518132       0.21535027
Cl       5.08943003       8.97574005       4.97824004       0.45890650      -0.18704546       0.30977187
Cl       1.49193997       5.50653001       8.01037005      -2.00460420      -2.79512368      -0.39123286
Cl      11.14369995       2.19623002       9.78280003       0.81573702       0.15581160       0.79365579
Cl       7.90826997       4.95529005       0.28915505      -2.63455868       1.71854373       0.69936902
Cl       2.08205003       6.01160996      11.26730003       0.68247891      -0.21779498       1.22216232
Cl      11.46260000       0.99815704       4.00263004      -2.08037882       0.23184177       0.24831238
Cl       9.95800002       2.87182005       1.83142001       0.94372890      -0.11537082      -2.10791888
Cl      10.39580001      11.26010000       8.06777995      -0.31253314      -1.49821113      -0.65472161
Cl       7.49155004       6.88165997       7.88402004       0.65318249      -1.13469030       0.30616601
Cl       9.41334996       3.40864001       7.00559996      -0.08262203       2.90223702      -0.03581458
Cl       4.13421005       1.21412000       4.35929996       0.18157322       0.11819277      -0.49841234
Cl       6.49727000      11.25479995       7.71201996      -0.23963840      -3.52293676      -0.18687815
Cl      10.78999997       5.50722004      10.50940002      -0.93272658      -0.00251250      -0.84948379
Cl       9.33968004       6.16902003       4.41825995      -0.10291978       1.31216459       0.81069350
Cl       4.87177001       3.19141001      10.10690004      -0.52224555       0.55246541      -1.22658483
Cl       6.35835995       3.24874998       6.66737996      -1.08578068       3.16257737      -0.55334096
Cl       0.05997916       9.18006997       4.73068004       1.73454842      -3.77724071      -1.58634150
Cl      10.24269994       7.86868003       1.42063995       0.26218721      -0.79196417       0.40487906
Cl       3.26232002       8.19284998       2.11230003       0.52716040      -0.03420960       0.81496826
Cl       2.58180001       2.12822001       0.68884594      -0.75470992      -0.08457557       1.22821786
Cl       8.09841996       8.61305998      10.63250002      -2.71712003       1.91923978       0.02766852
Cl       5.09511998      10.93969997       0.59593804      -0.65363893       1.03094476       0.24946925
Cl       1.27935003       9.69039999       9.89752996       0.97027003      -0.37546401      -0.11658124
Cl       4.75429003       7.76237004      10.38909994      -1.99980598       0.45403394      -2.31738136
Cl       7.75337001       0.66186304      10.92970002       0.42358639       0.41869013       0.37201880
Cl       8.57896005       3.32555997       4.18644005      -2.78087817      -0.60379542       0.75793286
Cl       0.42849902      10.38120002       1.27316998      -0.05582905       1.49321354       0.52784992
Cl       1.77879002      11.16109998       6.07188995       1.26646254       0.11222752       0.63902445
Cl       2.49911000       6.87858995       5.88225998       1.05705359       1.72758189      -1.83041841
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.81767764 stress="-0.020013950836449506 0.005698922348174612 -0.007623382535629121 0.005698922348174612 -0.01583843424037061 0.0038365460462971702 -0.007623382535629121 0.0038365460462971702 -0.016181706094958892" free_energy=-219.81767764 pbc="T T T" config_type=melt 
Li       3.25753999       2.99058999       2.74236001      -0.23579117      -0.78961028       0.03375443
Li       7.86448995       2.90794995       1.17178000       3.35467260      -1.32150174      -2.06549290
Li       1.21557997       9.82339000       1.68607999       1.68956984      -2.94346459       1.48080977
Li       9.45464005       8.82315999       7.71867004       0.61774656       0.22069905       1.27260893
Li       4.21640997       9.29391005      11.44640005       0.10799458      -0.59843176       1.45073648
Li       9.48855999       2.74461996       9.31973999      -1.52056805       0.96318524      -1.77261769
Li       5.52553996       5.03431998       7.91094998      -1.29188342       0.42248765      -2.92467499
Li       0.13941700       8.10815004       5.12417999      -0.16782421       0.38144920       0.59012548
Li       9.80647996       7.91897004       2.28078000       0.24769320       0.27345723       0.25841594
Li       4.26761002       4.59701994       0.16650697       0.29021018       0.53293760       0.22929920
Li       0.96280395       2.16043006      10.77530001       0.74806998      -0.03910117       0.62533426
Li       9.45303999      10.91590001       0.17704001       0.25783928       0.34425900       0.06256892
Li       6.50518001       7.29716996       2.82129995      -0.95181606       0.32740505      -0.11139151
Li      10.84279998       0.39327995       7.66302999      -2.56151599       7.43890328       2.22870395
Li       3.65384995      10.27380001       4.58982003      -0.48760611       0.67279972      -0.29311080
Li       5.71403004       2.90907999       4.36960004       0.26959268      -0.37322450       0.14510031
Li       0.45732699       5.92999999       0.74741695       0.43260742       0.45161914      -0.00493185
Li       2.72951004      11.29879997       8.27184001       0.22708644       0.22858194      -0.01412712
Li       3.27565997       6.64978000       3.76004002       0.11891075       0.56634685      -0.02499312
Li       1.49836994       2.11999004       5.78729997       0.04140882       0.38825119       0.72984884
Li       0.88386103       4.40367004       3.84141005      -0.80782940       0.28562124      -0.80340928
Li       0.44736097       8.40655000       9.92415002       0.20124775       0.13781259      -0.56993508
Li      10.81890005       0.96367500       3.09380004      -0.13686261      -1.50542267      -0.90541458
Li       2.14159000       6.30888998       7.96400999       0.60373205       0.24531665      -0.04232587
Li       6.55280996      11.13309997       2.28989995      -0.24619396       0.28212134      -0.05460469
Li       8.76984994       4.62166998       4.43657998       0.26585013      -0.09845071      -0.06891725
Li       8.87592996       5.65311000       7.40219996      -0.40515270       1.13093386       0.06410070
Li       5.12254999       1.24525996      10.29990005       0.46608248       0.00082995      -1.28169303
Li       6.86762001       7.21499996      10.75069996      -0.28980650      -0.90794728       0.32071924
Li       6.97717003       0.62119305       7.51741999      -0.79757760      -0.11362684      -1.68363816
Li       8.61910005      10.20479995       5.01228999      -0.53514550       0.79667189       0.31234098
Li       5.61302996       8.53610004       7.85206003       0.00983285       0.14548976       0.37815929
Cl       8.43214000       0.94374103       1.56654997      -0.73858410       0.62114441      -0.54514400
Cl       8.42879999       6.32326997       2.95181997      -0.20393131      -0.27772917      -0.28041040
Cl      10.99149994       2.76545996       4.00027997      -0.67423061       0.90386273       0.75006537
Cl       1.54041003       9.14566005       3.61398005       0.56467719       0.25398024       0.84434866
Cl       6.32734002       4.65072998       9.56410994       0.97274504      -0.28733418       3.14651384
Cl       2.36387001       4.90309994       5.11104995       1.58440540      -0.33233732       0.64608957
Cl       0.60128395      10.73429997       7.64622003       7.17700420      -7.23367700      -0.29972507
Cl       4.75228997       8.46213995       4.71253002       0.85029881      -0.14801810      -1.01461068
Cl       1.49171997       1.59813005       8.82861997      -0.06065298       1.68041987       0.17831183
Cl       4.40892000       6.90029000       1.47021998      -0.03039350      -1.07012254       0.73975366
Cl       7.74401997       1.17283002       9.22491996      -0.20514491       0.21113148       1.69459561
Cl       8.86033006       8.40739997       5.87081003      -0.64412701      -3.55942292      -1.45327760
Cl      10.38129999       1.86611997      10.73239999       0.25315333      -0.39413106       2.03675991
Cl       4.39414002       0.74950895       0.69187802      -0.26304725      -0.07843002       0.99719229
Cl       3.96354005       9.83491997       9.55741996       0.51013629       0.95625153      -2.40969129
Cl       9.63932995       3.77096995       7.42808998       0.83790040      -0.65902333      -0.28555739
Cl       9.28914996      10.39570005       3.11716997       1.03491096      -1.64437390      -0.27783797
Cl       2.46429997       1.08336002       4.24834006      -1.09631132       0.24896813      -0.92990185
Cl       6.94052997       4.29391000       5.66168998      -0.35537097       0.18283268       0.11998858
Cl       7.76717002       8.09201005       9.09388003       0.28144997       0.16057281      -1.18591638
Cl       4.36602995       6.92653999       7.09188002      -0.50279790      -1.20516567       1.24992657
Cl       0.06354054       6.50650000       3.68762005      -0.49457998      -0.72160971      -0.95303581
Cl       5.20044003       0.59219106       4.42323006       2.27275203      -0.22935112      -0.35983878
Cl       6.44986004       8.94838994       0.44643798       0.61097218       1.10101336       1.04993953
Cl       1.95043998       4.03038999       1.06120003       0.13712585      -0.10549764      -0.00030914
Cl      10.56309997       7.72149002       0.07356101      -0.70621602      -0.08925773       0.48984213
Cl       0.10491994       7.08142001       7.79581995      -0.56720853       0.26888506      -0.07511578
Cl       6.40182001       3.63449997       1.89482000      -4.40252257       1.96575633       2.05047870
Cl       9.56294999      10.90319999       6.84199001      -4.80419785       0.09525500      -1.76381865
Cl       0.45009704      11.15660002       0.75636196      -1.75590071       2.87996095      -2.00909024
Cl       4.14377000       1.85990003       7.44298001       1.07552483      -0.26455734       0.16930122
Cl       2.27230996       7.57219999      10.73270001      -0.17241328      -0.77639368       0.11882477
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.43628159 stress="-0.01632783766807041 0.001173554866292554 -0.004868133743023596 0.001173554866292554 -0.006365821188245365 -0.004825803697060164 -0.004868133743023596 -0.004825803697060164 -0.017976714118833313" free_energy=-221.43628159 pbc="T T T" config_type=melt 
Li       5.16463995       6.60749997       6.85334996      -2.29467443       0.86504826       0.07477581
Li       7.16970001       3.72071995       0.23672798      -1.43832045       0.57699116      -0.51297787
Li       6.77231000      11.10799996       3.16559005      -0.07475388       0.12025458      -0.37071015
Li       5.40106998       1.31485995       0.07921370      -1.66513060       2.01761578      -0.63249154
Li       2.38611003       1.76222998      10.35619998       0.19622068      -0.56376409      -0.01001661
Li       7.26790005       0.02607963       8.99457001       0.02866736       0.05575887       0.21931749
Li       0.72936105       6.39056002       8.68286002       0.31851941       0.13669130       0.44216036
Li       9.05221000       2.79576005       2.63175997       0.12573200      -0.61088079       0.57539527
Li       0.33495497       4.83598002       4.47086001      -0.39342967       0.02331862      -0.08033332
Li       3.84349001       5.10276001       2.47729003       0.65818543      -0.41389119       0.24478885
Li       0.51097305       4.05532996       0.84452800       0.24868587      -0.12504834       0.47009523
Li       0.55874700      10.92399998       7.57622005      -1.04418831      -0.40879122      -0.73656911
Li       6.22205000       7.93119005      10.69880002       0.51620519      -0.60537480       0.26097113
Li       9.05431003       4.92744996       6.35659995       0.11807038       0.22876274       0.15127627
Li       3.81091002       1.24428997       6.50987004       0.05084830      -0.17622996       0.45107282
Li       3.27974997       8.61545005       5.53988006      -1.19197009       1.58915435       0.57271606
Li       8.86373002       1.56548000       6.09234004      -0.44888538       0.66962637       0.46235585
Li       3.25668006       8.41209000       1.79109004      -1.10074330      -1.80468829      -1.90500802
Li       5.75004003       2.96521002       8.17144995      -0.31815101       1.16487983       2.12012841
Li       5.99977997       3.88820001       5.05740995      -0.03832067      -0.49571745       0.05373819
Li      10.99209998       0.37493194       4.22893000      -0.12890237       0.30418126      -0.74504991
Li       3.68349005       5.60387997      10.35830001      -0.11156836      -0.31374531       0.23664419
Li       1.59516997       3.46223001       7.88582005      -0.16220539      -0.34279945      -0.16166541
Li      10.84979995       9.60067996       9.96390000      -1.54364370       0.44282485       0.56419317
Li       9.40142000       0.51673901       0.28316795      -0.59478360       0.32536903       0.48045476
Li      10.01569997       8.19570997       2.14221996      -0.25471348       0.42353213       0.08013523
Li       6.10150998       7.69335003       3.43963999      -3.37107043      -0.25230370       0.54502575
Li       3.36292997       0.18972696       2.78528995      -0.40004848       1.38751838      -0.71712935
Li      10.19299999       2.93954001       9.44525001      -0.46428935      -0.83415060       1.22171644
Li       3.15523998      10.05729995       8.93472005       0.22943497       0.61569455       2.25560982
Li      11.09669996       8.44566005       5.14378001       0.23299631      -0.12620481       0.35655442
Li       8.79490994       8.20562004       7.20307000      -2.64503682      -2.88716178      -1.48704812
Cl       3.89953005       7.16478000       4.46840998       1.04947103      -2.95867624      -0.70387850
Cl       2.64005002       6.09082000       1.10630005      -0.81754116       1.09078115      -0.54144024
Cl       3.76012004       9.88550003       7.10053004       1.82077018       0.53678340      -1.62699251
Cl      10.20869998       0.55154296       9.83454004       0.57023793      -0.23070144      -0.70035746
Cl       2.86162005       6.90812996       8.30095997       0.96516194      -0.72953139       0.36607163
Cl       6.94236998       5.83573999       6.78249005       1.67977752      -1.11416507      -0.32664592
Cl       4.40996004       1.44497001       9.24913997       0.94529334      -0.51791468       0.06959373
Cl       8.30124004       8.27853997       9.16093001      -1.79203782      -0.32167042       2.78039607
Cl       7.64100000       8.24608998       4.21297997       3.95825056       1.80269865       1.95880400
Cl       0.04355750       6.92701003       3.18609999      -0.17183226       0.11777549       0.29994140
Cl       0.17263498       2.72499999       3.05288998       0.76874325      -0.07853742      -0.37202492
Cl      10.04039999       9.49304998       7.41339999       3.06742317       3.63132481      -1.30790999
Cl       5.71086005       2.20963004       2.62097999       0.07644629       0.32517797       0.27188505
Cl       7.73038000       2.20353999       9.11909995       0.13981471       0.47092937       0.75843547
Cl       1.42246999       3.86704005      10.22130003      -2.77279479       0.96846262      -1.73988444
Cl       1.82131997       1.02784001       7.91339004      -0.01317016       1.92256147      -0.24446378
Cl      11.44039999       6.31465995       6.71963003      -0.44002019       0.83511357      -1.54505157
Cl       9.14554999       3.32743003       0.62078503       1.30998048      -0.02623683      -0.73187720
Cl       3.64226002       3.29964004       5.49794005      -0.61640555       0.64350419      -0.09722595
Cl       6.03541003       7.00360001       1.66901999      -0.22797373      -0.90223180      -2.75847029
Cl       3.54990000       3.29342995       0.10544398       2.24012949      -0.87891814       1.99689983
Cl       6.27525997      11.17550003       0.68167400       1.85742303      -2.30104164       0.23039528
Cl      10.54370000       3.71724994       7.61778999       0.08192327      -0.73160871      -0.97876232
Cl       2.69522003      10.45850000       0.13548096       0.37340029       0.38339116       0.15321257
Cl      10.40860000      10.47019998       1.41258996       0.09868965      -0.95495417       0.53462048
Cl       3.97617999       9.76396995       2.91404001       1.86739964       1.22428445       2.49211422
Cl       1.16673996       9.67307999       9.10202998       0.11995714      -1.69230480       0.24086994
Cl       5.97660000       5.31608000      10.26159995       0.08971388       0.14598361      -0.29624378
Cl       6.22382995       1.97615001       6.57835994       1.03028787      -1.48226575      -2.89976718
Cl       9.18016994       3.90074996       4.40114997      -0.56248621       1.31076521       1.17161685
Cl       0.92427697      10.55029999       5.31989004       0.04104099      -0.32970023      -0.74893718
Cl       8.62910997       0.90650298       4.02670996       0.22419008      -1.14554864      -0.18504943
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.14127902 stress="-0.01265160273021505 -0.004397671185890769 -0.004374824403878856 -0.004397671185890769 -0.014935072693828188 0.0012122044004301076 -0.004374824403878856 0.0012122044004301076 -0.021932553130412025" free_energy=-225.14127902 pbc="T T T" config_type=melt 
Li       8.71136996       2.29092005       0.45921595       0.56301761      -0.68429597       0.49430000
Li      10.06309996      10.24240004       1.79500005       0.29357769       0.14020935       0.32443060
Li      10.17489996      10.61489995       6.12496005       0.00312878       0.04898671      -0.39130120
Li       8.65726005       9.28443000      10.33790001       0.24025232      -0.12035318      -1.01542800
Li       3.05833999       9.02224994       3.76237002       0.28145058       2.60339823       0.24556423
Li       6.39772003       5.83704004       9.39245998      -4.33894572      -1.29990492      -1.03107156
Li       2.38972999      11.06749998       5.99223005      -0.74246022      -0.55129687      -1.03767267
Li       5.96095997       9.47891005       6.51585004      -0.48624399      -0.31542659      -1.11175068
Li       7.79185995       6.88154005       4.48637004       1.89076771       0.92121347       3.13865914
Li       1.45393004       0.49373697       1.59739003      -0.34580636      -0.10040526       0.09328932
Li       4.33879999       1.45922997       2.63680999      -0.27168160      -0.28753956      -0.01497336
Li      10.65030004       5.27985998      10.49160001      -0.06852549       0.39919871       0.98779334
Li       5.86594998       4.66070001       2.54035997       1.24541692      -0.03102598       0.15417103
Li       7.37801996       1.41525001       4.75558997       1.68500655       1.18133491       2.76388621
Li       0.92564902       1.91711000      10.40439994       0.79844179       0.98641648      -0.32840356
Li       3.35998996       6.82537999       6.23190997      -1.09171347      -3.15228026       0.84959386
Li       4.13519002       9.66599999       8.96653996       1.94858945      -0.01771355       0.32884260
Li       4.15200995       2.85127995       7.96000001      -0.60070096      -0.10998001      -0.00604478
Li       2.47584003       4.89873996       1.99372005      -1.03527911       0.84062778       0.26885955
Li       1.80456000       7.90881006       0.91903298       0.13591570       0.24512180      -0.05489086
Li       0.12981199       4.36683004       6.86098999       0.80963147       0.12652417      -0.70006792
Li       1.10939999       9.43149000       9.58727994       1.10771942       1.54326050      -1.61786099
Li       0.07824085       7.08816995       4.07778997       1.86793020      -0.43058247       0.65252457
Li      10.32910003       3.34910004       3.02469003      -0.34310520       0.29706182       0.02544812
Li       5.14602001       2.53515002      10.90689998       0.12204244      -1.29945258       0.70646555
Li       2.58152006       3.31747995       4.87991000       0.32461433      -0.73124989      -2.49497858
Li       8.65046999       7.27609002       1.41146004      -0.21659561      -0.45236239       0.11831212
Li       6.48224995       9.91281001       2.35464998      -0.66324444       0.42157364       1.36670256
Li       7.93973002       4.03504999       6.91778002       0.25416782      -0.67043291      -0.53413623
Li       9.63227002       7.06854000       8.06675998       0.50033763       0.50348003       0.43942186
Li       2.85441005       5.64101002       9.60621996      -0.50172291       0.47045548       0.54426231
Li       8.09703003       1.05664000       8.71390002      -0.41014264      -0.31819567      -0.34693873
Cl       6.36745995      10.12869994       8.38528995       0.60700491       0.23817215       1.68102626
Cl       7.96814000       9.58000001       0.95102199       0.64728280      -0.18745279      -0.76364007
Cl       2.33961996       3.56055995       6.76552005      -0.08182744      -0.58266323       2.08550994
Cl       6.43738002       0.83665995       3.25200997      -1.29487024      -0.86030793      -3.12010326
Cl       9.67021002       9.33555003       7.83119997       0.22901087      -0.13219895       0.63436107
Cl       6.91903994       6.41388994       2.92974000      -2.22476822       1.00348954      -3.80701294
Cl       3.15589000       1.48669999       0.40590705       0.12589956       0.87678046      -0.77142426
Cl       2.89341004      10.25319996       1.77751003       0.19418919      -0.67201338       0.15707455
Cl       2.44255005       7.32864996       3.19031999      -0.68898196      -3.55094002      -1.58080350
Cl       1.83451995       6.26244004       7.79615998      -0.61962256       0.73716412      -0.47533471
Cl       8.30099998       4.27029002       4.18695996       0.65668793      -1.43844449       0.72104545
Cl       6.08906000       2.82225996       7.20624997       0.54052258      -0.12828405      -0.31586781
Cl      11.32380001       0.33180103      11.02320005      -0.72854888      -0.86990914       0.20113434
Cl       4.59110002       4.27074997      10.00250000      -0.05403703       1.19861832      -0.64834550
Cl       9.20661001       4.25720997       0.73719597       0.63474236       0.90806155       0.34319168
Cl       9.22283002       1.56259995       6.94676997       0.36470856      -0.21002619      -0.77771866
Cl       3.40437999       0.94488298       4.65568003      -0.21426418       0.62242113      -0.39435382
Cl       2.98804996       8.38488997       9.92163005       0.21803237      -1.50844892       1.26931097
Cl       0.01891996       8.39622000      10.75249997      -2.71702262      -1.45008759       1.94853924
Cl       7.23354000       1.56856997      10.65360003      -0.75705277      -0.26284807      -0.03856177
Cl       8.06339005       6.16339003       7.05725995      -0.79854073       0.19265916      -2.68017445
Cl       8.08051001       6.27145005       9.73841997       4.68110600       1.83825683       3.42885983
Cl      10.85430002       4.10477001       8.76648999      -0.39816742      -0.66887311       0.45562136
Cl       1.47217005       5.61736002       0.27084201      -0.23647006      -0.29334834      -0.98293351
Cl      10.56990001       1.06175994       2.74104998      -0.03830452      -0.30045441      -0.07464577
Cl       3.74646999       8.54926000       5.74760994       2.10834858       3.07502838      -0.02630654
Cl       3.29864998      10.96540002       7.79108004      -1.05257173       2.07916603       0.36293658
Cl      10.03960002       7.85488999       3.06502997      -1.41514716       0.60501499      -1.13745444
Cl       7.36638005       9.57741000       4.84210997       0.28199117      -0.30334968      -0.48653278
Cl       0.81914700       9.37586004       4.73888995      -0.72247306       1.12603528       0.92581385
Cl       4.05198995       3.80329005       2.61967994       0.23010021      -1.07063701       0.61614522
Cl       0.82963304       4.48417004       3.67593004      -0.43279722      -0.16694567       0.43363559
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.03438845 stress="-0.00862692308111353 0.0016631877568338562 8.274542162137136e-05 0.0016631877568338562 -0.015299308891276016 -0.005351958928047791 8.274542162137136e-05 -0.005351958928047791 -0.014239372771903576" free_energy=-224.03438845 pbc="T T T" config_type=melt 
Li       3.32859996       5.46455996      11.15349997      -0.22284951      -0.08264422      -0.12575470
Li       2.34760999       8.90793995       5.24798997      -0.44301647       0.06736550       0.18071993
Li       8.94049002      10.31759998       0.08198646       0.12353964      -0.40058342      -0.22437468
Li       5.97080996       8.47065998       0.01821995       0.60179349      -0.01470662      -0.54989315
Li       5.30925004      10.62689995       3.53908999       1.31377912      -0.26027847      -1.60491718
Li      10.39250002       6.85903005      11.29240004       0.21919683      -0.16896361      -0.39361637
Li       4.24910002      10.16869996       7.04396999       0.62396395       0.39500342       1.53531615
Li       5.50159005       2.25641004       2.81240000      -0.34348954       0.18922757      -0.66996707
Li       7.14275998       9.74214998       7.40530999       1.07197700       0.48988844       0.73005485
Li      11.25575114       8.69750002       8.58000995       0.96808119       1.23839706       1.04983057
Li       3.91102998       7.34203003       8.22200995       1.24937884      -1.29623179       0.27846220
Li       6.14907000       0.53761696       9.89541996       1.32137283      -3.03921112      -1.79121655
Li       2.60010996       9.31450998      10.80740000      -0.17425997       0.49395673       0.11346345
Li       8.19583997       6.35685996       7.84943999      -0.08904588       0.12295650      -0.09902188
Li       3.82389996       1.09676005       0.58434502       0.77757253      -0.46086427      -2.17270330
Li       2.90415000       1.27162001       4.78525001      -0.13562646      -0.17588786      -0.35537109
Li       9.21638996      11.44570005       5.43231003       0.56805100      -0.37141601       0.32228672
Li       0.37192303       0.63860695      10.30110002      -0.02611868      -0.72474802      -1.09503401
Li       7.55184998       4.36798999       3.66074996       0.24984774       1.44625426       1.89825983
Li       0.71830295       5.00583995       4.71148000       0.04521462      -2.13231687       0.51910783
Li       0.38691796       4.71297999       8.39987997      -0.10458385      -0.13409547      -0.51119700
Li       7.03382995       2.55741996       7.09012002       0.36989307      -0.58315890      -0.59977455
Li       3.62652003       2.79608999       8.49909002      -0.44625659      -0.52194065       0.06385045
Li       0.44188494      11.28260003       1.90892003       0.38205421       0.07044087       0.05359705
Li       3.97407997       6.35778995       2.47210004       0.39232146       0.54824768       0.17094983
Li       0.24640097       1.74758001       6.82471999      -1.19913874      -0.75611220       0.42274014
Li       7.37334001       7.97442002       3.10476000       0.67627889       0.52996336      -0.47525301
Li      10.24109999       8.55967002       5.24579995       0.63751070       1.01480838      -2.83178459
Li       9.32990995       3.19034005       9.78145997       0.29803214      -0.00351595       0.07546922
Li       1.61365004       3.31965002       1.43807001      -1.14837821       0.04740006      -0.43852478
Li       4.92097998       4.92783000       5.32598995      -0.30635964       0.02816950       0.42178664
Li       9.51881996       2.19157999       2.72615995      -1.10600957      -0.63741148       0.04979430
Cl       0.01311995      11.27011714       7.99564005      -0.12231333       0.13460704       1.24664349
Cl       5.55741995       1.96086996      10.86550005      -0.23914020       3.82626428       3.28572714
Cl       3.52519998      10.44090003       1.13441000      -1.14922751      -0.43390323      -0.81982692
Cl      11.20299998       9.55881001      11.00180003       0.71660776      -0.64246135       0.06687429
Cl       2.70244001       8.80772999       7.68425003      -1.92393489       1.29754612      -0.15845007
Cl       5.00442996       2.06412001       4.82107004       0.20936612       0.83849929       0.50996418
Cl      10.00090005       3.37757995       7.61541001       0.43138168      -1.74634479      -1.11679192
Cl       1.91226003       2.70003996       6.13011003       0.55935285       0.77777419      -0.11848059
Cl       4.08929002      10.63779996       5.07160996      -1.76406991      -0.47498094       0.09483792
Cl       6.06061001       8.14276001       6.95453003      -0.88176440      -1.09397585      -0.18836603
Cl       6.62348003       4.70871998       6.80686001       0.28378067       0.11723084       0.28246058
Cl       7.51350998       9.04848996      10.04189998       0.25892423       0.61638038      -0.16243647
Cl       0.11180505      10.82899996       5.09722001       0.36756375      -0.36541394      -1.37704450
Cl       8.51576997      10.22460002       3.70613005      -0.29869721      -1.04314982      -0.07684767
Cl       8.94169996       7.38178002       1.28217999      -0.45439199      -0.01307009       0.72571910
Cl       0.69211796       6.83569004       4.03926002       0.26386263       2.29471017      -0.39673673
Cl      11.07417414       3.48668000       2.95632005       1.21206275       0.81816777       0.05770485
Cl       9.86255003       5.51532001       9.27204996      -0.96270340       1.73028513       1.55804302
Cl       4.41323997       0.60762702       8.69210997      -2.82929598      -0.76038225      -1.28001905
Cl      10.07960004       8.07984003       7.08440003      -1.54763507      -1.30469182       1.14331257
Cl       2.60392000       1.53412004       2.02252004      -1.65481594       0.03736246       3.58474781
Cl       1.26239000       5.13289995      10.30309996       0.65564865       0.49604140       0.85562920
Cl       2.95918004       5.63366004       7.03578999       0.29294091      -0.46288194      -0.10274268
Cl       7.34991001       3.12582997       2.21739996       0.09414449      -0.82217063      -2.48830221
Cl       2.01705995       1.92018999      10.55289997       0.31574783       0.67395661      -0.42458921
Cl       4.08600000       7.65020995      10.83849995      -0.48191881      -1.11344031      -0.61399780
Cl       3.42272995       4.39429994       1.72599999       0.95754646       1.13046558       0.04806703
Cl       8.39666000       1.78156999       4.80073000       0.01172224       1.06776704       0.31426347
Cl      10.08789995       1.06904997      11.44976815      -1.00618738       0.48002862       0.87423417
Cl       6.95650005       0.33798601       7.78867002       2.18088519       0.50246682      -0.85766274
Cl       5.69279005       8.94949005       1.99615002       0.78420236       0.03796610       1.19305078
Cl       5.86434005       6.58177997       3.88109996      -0.42437070      -1.51864528       0.39372971
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.49042932 stress="-0.018434829928583116 0.016684619612444666 0.0020441969427594333 0.016684619612444666 -0.03253320866957442 -0.0051303578664727454 0.0020441969427594333 -0.0051303578664727454 -0.002632744558395693" free_energy=-219.49042932 pbc="T T T" config_type=melt 
Li       3.10044003       2.65947005       0.48027802       2.74361890      -2.71238705       0.55245267
Li       5.00120002       0.08954852      11.29130004      -0.08641967       0.63119011      -0.18259795
Li       1.58934004       0.75776106       3.02065999       0.57495684       0.16179287      -0.21409213
Li       3.49375002       5.18558003       6.25753000       0.17178648      -2.66203359      -0.44271758
Li       6.73189004      10.47740001       2.66827003      -1.47697146       1.04346361       0.54023429
Li       6.53801004       4.46204994       0.46322605       0.65633405      -0.75050055       0.49328643
Li       3.65813003       2.64027002       4.85379998       0.74180011      -0.13768908       0.56155665
Li       0.92433097       8.10047998       4.71584996       0.12734647      -0.02373828      -0.39226344
Li       8.18659999       3.29144996       9.64840003      -0.67748635       0.50910831      -0.44727756
Li       9.18457005       7.16996999       9.82563998       0.00651456      -0.46596173       0.19790187
Li       9.48421996       0.77914698       4.02226995      -0.64943789      -0.25403009       0.03285623
Li       9.70949994       9.44393001       1.06244998       0.61304693      -0.72643928      -0.40638162
Li       4.76498999       9.61556003       7.69059998      -0.13496471      -0.56828582      -0.17775871
Li       1.29737005      10.50739997       9.11925002      -1.47533587      -0.08897435      -0.29718007
Li       7.50572998       3.21310995       4.64707998      -0.47767681       0.03300978      -0.16699545
Li       4.76464996       7.92118999       4.69467004       0.25066756      -0.43748204       0.21201759
Li       1.57458001       2.86142000       8.75312001      -0.14480868      -2.80017695       1.60756233
Li      10.12080002       1.53193999       7.43108995      -0.39842789       0.21400235       0.33964560
Li      11.39969997       5.12280003       6.28417001       0.28749896      -0.28283610       0.76058130
Li       1.13523004       6.14617997       0.16821103      -1.15006813      -1.27884295      -2.10679048
Li       9.63847999       1.16702003       1.11450996      -1.63438216       0.10629298      -1.55781875
Li       8.40149999      10.25700003       9.04252005       0.27361019       0.14858999      -0.07977505
Li       6.61459005       7.86832005       0.42691099      -0.09283148       0.03528619      -0.19490802
Li       3.76998999       5.67170999       2.25333005       0.15296872      -0.11985548      -0.38602862
Li       9.05251002       6.75181003       3.73200997      -0.11085721       0.26109082       0.08378793
Li       0.62947897       3.97528005       2.74384005      -1.30288304       0.21197925      -0.23001149
Li       7.52810997       6.05550004       7.02678996       0.28656649       0.51856486       0.20841351
Li       5.22969000       6.17302003       9.05625999       0.06187989       0.05666600       0.13188754
Li      10.42190005       8.89987999       7.25521001      -4.72078673       0.15404497       0.34877282
Li       1.86215001       7.41889998       8.08957997      -0.84092108      -0.25948607       3.46581759
Li       5.55559999       1.73354005       7.83304997       0.16790810       0.79671410       0.00792451
Li       2.79343005       9.54774996       0.88497501      -0.59257602      -0.17290066      -0.03145055
Cl       7.04550001       1.60978005       2.67043999       0.82408550      -1.03827244       0.57403696
Cl      10.75069996       2.98859004       5.78510995      -0.37218550      -0.37642745      -0.16147829
Cl      10.95560001       1.32749003       2.54682995      -0.86357081       7.36418665       1.37900591
Cl       2.49746006       3.37064004       3.27828002       0.76998763      -0.85618539      -0.02552241
Cl       8.53110001       7.81583004       5.84532998       0.16467196      -0.31619401      -0.27164514
Cl       8.69237996      10.20979998       2.71194000       1.52433169       0.29194916       1.68170654
Cl       6.62181002      10.31799997       0.52168894      -0.10826239      -0.95487894      -1.46278396
Cl       2.57656004       0.66104896       9.38731997       0.52171521       2.10702310       0.25181565
Cl       1.77246002       4.48326998       7.87273002      -2.31553969       3.96369464      -0.86956792
Cl       6.52933994       4.19850001       6.66447996       0.30542199       0.19049471      -0.42195416
Cl       4.73667001       9.93800001       5.16638997       0.05251972       0.76054379       0.48589480
Cl      11.18549998       6.14243001       9.66275996       0.16136195      -0.74692345       0.05306251
Cl       0.26400105      10.68390001       2.38002995       2.81648058      -7.09615793      -0.56872264
Cl       6.36616999       4.41048006       3.02800997      -0.20889389       1.24184022      -0.15246534
Cl       3.73600998       0.05161666       1.70675995      -0.48652094       0.29636603       0.01022897
Cl       0.51170998       8.12609003       6.93124997       2.69599007      -1.28666141      -2.49285071
Cl      11.29250000       6.16242004       4.36221005      -0.14433489      -0.31073847      -1.00283522
Cl       1.88678996       7.33987005       1.47874997       1.23801820       1.48690792       1.60806167
Cl      10.47960000       8.86763005      10.42549995      -0.63285374       1.72555462       0.14074927
Cl       8.40817002       7.23257998       1.54225005       0.29778404      -0.34468255      -0.08579534
Cl       1.76987001       3.88323002       0.24220195      -2.80064851       2.44893486      -0.68029040
Cl       7.76124001       1.23707000       7.36921001      -0.42388711      -0.68468383      -0.13302987
Cl       6.92029998       8.14184001       8.61125000      -0.65715195       1.64381756       0.02007391
Cl      10.61729999      10.80559999       7.59312998       0.14338445       2.06432899       0.43672772
Cl       9.73441996       1.96938001       9.95502000       1.22076700      -0.75012923       0.59525794
Cl       3.59633996       6.16831005       4.39216002      -0.13968011       0.12451940      -1.71760038
Cl       7.47887995       5.53694004       9.64050000       0.77384158      -1.00871283       0.10914602
Cl       6.27582997       2.46544995      10.55659996      -0.91582217      -0.42691963       0.11472772
Cl       3.33301004       6.87544003       7.07460999       3.64872202       2.55813638       1.03797862
Cl       5.15856996       5.99787002       0.16519902      -1.40485902       1.07499491       0.00325478
Cl       2.89374995       9.25258005       9.54846005       1.17419855      -1.67983412       0.34258371
Cl       3.70482003       3.05060997       7.03354999       1.99125952      -2.60606732      -1.02842231
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.94354033 stress="-0.010084259525602485 0.00026589326948690925 0.004870352587034829 0.00026589326948690925 -0.013343472912072092 0.006035929219321186 0.004870352587034829 0.006035929219321186 -0.008334711077816272" free_energy=-224.94354033 pbc="T T T" config_type=melt 
Li       4.02972999       8.10781998       3.00128995      -0.25010273       0.26759641      -0.64969006
Li       6.58533000       3.65542996       9.32955994       0.53270534       0.23119033       0.38652606
Li       9.29706995       9.33077997       8.11190001       0.52050389       0.30919646       0.76037357
Li       4.32028999       8.64589001      10.16289995       0.61836613      -0.93280177       0.44461749
Li       0.32092601       7.23332997       9.61702998      -0.33986883      -0.54741608       3.13216259
Li       6.38156996       6.49568999       1.07041995      -0.08810465      -0.06354035      -0.53794120
Li       8.16492001       8.71105000       4.38193996      -0.23217619       0.17791001      -0.17392880
Li       2.33440005       8.72327000       7.02022998       0.40083562      -0.00258076       0.42065667
Li       7.94198000       0.32091203       4.89106004       0.45020657       0.69328804       0.30469307
Li       1.42668999       6.43149999       1.55326997      -0.85139298       0.26589913       0.42648849
Li       3.82349997       1.08499001       8.86215001       2.23561547      -0.06433564      -0.66537564
Li       3.52561006       4.87023999       3.83934005       0.27288717      -0.11190896      -0.31898919
Li       0.38496296       7.13744996       4.99317995       0.12969557      -0.59193394       0.04479459
Li       8.71072005      10.05660005      11.41199999      -0.82438832       0.44379604       0.47883184
Li       0.93923396      10.83100002      10.14539996      -0.03293998      -0.15815957      -0.17855639
Li       2.88564001       1.00745995       5.61389001       0.02747406       1.75857075       0.23601723
Li       7.80402997       6.87992004       9.41869002      -0.78840726      -2.21196533       5.06427609
Li       0.71013397       3.88935000       6.82634000       0.06838820      -0.08201464      -0.14601274
Li       8.67553996       5.34553999       6.99402000      -0.02646537      -0.14571327       0.37193848
Li       0.53734502      10.77689997       4.47486001      -0.18365938       0.48776913      -0.21523088
Li       0.09142431       2.96935998       3.67690003       0.34197288       0.20887787       0.49467064
Li       5.21869999       2.67065999       1.46810000      -1.21127651      -0.16491901       0.01803847
Li       9.23484000       3.82357999      11.24180003      -0.27029123       0.38790510       0.47055886
Li       8.46083005       4.58120004       3.49771998       0.18783295      -0.92042933       0.30282220
Li       5.40638000      10.12139995       6.37483997      -0.66827011       0.14680417       0.77490432
Li       9.15863005       1.29974006       7.71829997      -0.05426583       0.47303525       0.00879119
Li       2.73087005       4.30445003      10.80140005       0.03336599      -0.03996529      -0.29509502
Li       9.16301995       7.54481996       1.77364003       1.64525567       0.84055140      -1.10926642
Li       3.87318995       5.53509005       8.31396998      -0.25642615      -1.06437710       0.41838043
Li       2.11625004       1.18475000       1.51971999       0.20571830       0.54884355      -0.47536312
Li       5.76894004       3.23818003       5.69471995      -1.21377591      -0.82112080       0.66650599
Li       5.75261995      10.34889999       2.06431995       0.33228827       0.51790537       0.14045303
Cl       1.96652999       1.15991998       9.28996003      -3.31867177       1.00679350       0.86958111
Cl       7.85072995       6.45712002       2.79362001      -0.90310167       0.67014638       1.02042051
Cl       0.29719404       7.54985003       7.78189004      -0.34251013       1.93425295      -4.20961381
Cl       2.94890999       7.03443996       4.49087997      -0.57952713      -0.18036834       0.32096369
Cl       3.86270002       0.00619816       1.60535002       0.86138551      -0.32044674       0.05874391
Cl       3.29939000       6.24020002       0.65035405       0.78023267       1.03620821      -0.23357744
Cl       0.52129801       8.53078004       1.70225001      -0.03454710      -0.20241154       0.56427601
Cl       5.95945001       8.88616997       0.45065695      -0.36422980      -0.53328164      -0.29637373
Cl       4.46897001       3.33425001       9.50593996      -0.33597630      -0.78922067      -0.49552411
Cl       1.64809000       5.11427003       8.43887996       0.41166909      -0.73085510       0.98241700
Cl       8.02186001       7.60140994       7.81691995       0.28004447       1.13534267      -4.72128894
Cl       0.60731703       0.98664804       2.92785997      -0.98735848      -0.83867820      -0.16877073
Cl       8.97748995       3.76872995       9.03093998      -0.27806563       0.10934809      -0.52364933
Cl       7.77434001       2.65606998       5.89240002       1.84594718      -1.33318384       0.83258262
Cl       6.25076000       4.30059998       4.05160005      -1.55292977       1.18225710      -0.67124977
Cl       6.25136004      10.55780004       4.48676005      -0.18878447      -1.32404541      -1.35869332
Cl       2.56918002      10.51329994       5.32781002      -0.22541600      -2.36237540      -0.00125387
Cl       9.24582003      10.04769999       6.06105001       0.37793265       0.61300120      -0.98229434
Cl       9.30452998       6.54268998      11.21609998       0.21785123      -0.44093885      -0.34171218
Cl       5.93370995       5.75832996      10.42469997       0.92088411       0.33394142      -0.32647134
Cl       8.42334002       9.63636999       2.23994997       0.50143674       0.63467414       0.23282406
Cl       5.06689000       1.05465003       6.36172002      -0.50130188       0.03750245       1.26773352
Cl       2.82029006       3.26027996       5.06424003       1.06534224       0.94225189      -0.12277262
Cl       2.58673997       3.39023995       1.32442001       1.20863937      -1.11585556       0.12898786
Cl       4.55580001       7.36618000       7.75821997       0.19161141       1.21587309      -0.67987522
Cl       3.33065997      10.06859995       9.03633003      -0.25602696      -0.12074862      -0.49334913
Cl       7.24004999       3.15990995       1.44647000       1.49921741      -0.07361633      -0.90873226
Cl      10.31680000       9.55824998      10.24339995       2.50805781      -1.49427529      -0.55934191
Cl       0.53971996       1.90795004       5.89048996      -1.75950569      -1.09477109       0.86906907
Cl      10.12539995       4.87541004       5.43727005       0.64733382       0.70677453      -0.33539488
Cl       0.15211988       4.72360004       2.27806996      -1.18520080       0.45881425       0.25213876
Cl       8.67612005       0.23072506       9.64717003      -1.21573280       1.10193359      -0.57085100
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.47015824 stress="-0.01708736058470889 0.006056493818487256 0.003421617279162835 0.006056493818487256 -0.020906874782178824 -0.002135082353337508 0.003421617279162835 -0.002135082353337508 -0.010973293088761566" free_energy=-225.47015824 pbc="T T T" config_type=melt 
Li       2.21127001       3.28282996       6.16741996      -0.86280160      -0.57402062       1.36033042
Li       6.46895001       9.83451998       7.34424000       0.02821768       0.27067419       0.02024713
Li       1.17028999       7.22611000       7.58792004      -0.87600363       0.11715533       1.16208820
Li       4.30708005       8.34592001       3.26655000      -0.08452772       2.88564030       0.29112766
Li       0.80239803       0.96364405      10.61000000      -0.15019957      -1.77702936       0.43717300
Li       8.91179997       4.97324001       1.33849998       0.66445449       0.12694062      -0.40378832
Li       3.79725996      11.44931233       0.61827401       0.06350489       0.05701032       0.37944491
Li       9.56058995       4.91843995       7.77004996       0.08855520      -0.84258120      -1.36185651
Li      11.04120000       0.77501698       3.57752995      -0.00122729       0.15434445       0.48392734
Li       5.14025004       4.10603005       3.45150999       0.40727285      -0.06907968      -0.37596561
Li       3.12357002       3.92910995       9.86898000      -0.96450184       0.56213523       1.09897661
Li       6.86291003      11.45758793       4.56059999       0.39268615      -0.37064707       0.26958598
Li      11.41499996       5.73970005       4.15151997       0.07961512      -1.45493714       0.73596000
Li       6.14356004       6.67646999       1.16203995       0.10575787       0.11372527      -0.37010351
Li       8.49646997       3.54017004       4.76380997      -0.89834407      -1.38399732      -0.59743057
Li       1.96485001      10.74739997       7.95890999       0.12346157       0.95571872       0.91450682
Li       3.33965003       0.60503300       3.67890995       0.03126850      -0.15282347      -0.56925408
Li      10.56749996      10.53829998       6.56053001      -0.22406567       0.62458879       0.34171132
Li       4.40637997       6.19909003       6.62123005       0.09755691      -0.27809293       0.37591750
Li       9.99758996       8.74684996      10.18060000       1.09297429      -0.13122025      -0.28848697
Li       1.04925001       7.12908997       1.05799003      -0.36848657       0.10609508       0.06121059
Li       8.04761004       1.23878998       1.11300000       0.36219085      -0.58522050       0.00499523
Li       4.82369994       2.05936004       6.17417001      -1.49678793       0.25381422       1.40936371
Li       7.21161995       6.17783996       8.91851999       0.19333119      -0.10990061       0.70748788
Li       5.82575999       2.23167001      10.16729994      -0.01428384       0.74102673      -1.00646582
Li       9.67874002       8.63952000       2.92661002       0.07677835      -0.21986741      -0.34755894
Li       2.80583005       9.25424994       5.38394005      -1.39884624      -0.45979971      -0.35574116
Li       9.06210998       1.64830003       7.99706999       0.99808509      -1.75671351      -0.24900834
Li       1.92538996       3.44848996       1.71390001      -1.69003232       1.56813664      -0.23124808
Li       3.18341001       8.77815994      10.64750000      -1.62145787       0.50977023      -0.56941860
Li       7.16344005       7.59893997       4.75329000       0.15983967       0.35794184      -0.21567899
Li       6.65949999      10.20310003      10.94060003      -0.33991534      -0.47276593       0.31555622
Cl       2.50605001       7.09328003       6.09164004       0.85080745      -0.35794525      -1.77769461
Cl       9.79698994       4.92809998       5.34934005       0.80596223       0.97412425       1.18506679
Cl       6.40353002       2.24621004       4.99134005       1.61774377      -0.03950002      -1.30999747
Cl      10.65569994       1.15863999       5.74674003       0.15990756       1.04788751      -0.54926472
Cl       8.48664004      10.52460005       6.48074997      -1.18364222       0.00386331       0.31233888
Cl       3.98946996       3.46214999       8.12904002       1.30334662      -1.21065132      -1.54667932
Cl       7.91533002       9.77234999       3.45541003      -0.73156227       0.02539787      -0.20580567
Cl       3.14762999       1.99075000       1.70417005       2.64243614      -2.39576905       1.63461163
Cl       9.95576002       6.15196003       9.25201005       0.11627837       1.31670121       1.04006172
Cl       2.22169001       5.82521005       8.92344997      -0.24723709       0.40845932       0.72771180
Cl       6.02092996       4.99565004      10.63360002       0.14826055      -0.33451853       0.29420108
Cl       0.08991985       7.43626997       3.23238002       0.61762387       3.31137685      -0.70612904
Cl       6.35737998      11.19010908       9.11323001      -0.06960843       0.41537019      -1.93930359
Cl       1.00006997       9.73947995       6.40278002      -0.22370359      -0.88125475      -0.21190890
Cl      11.36759998       0.24972206       8.92889000      -1.21547503      -0.33681429      -1.10503432
Cl       8.07705994       3.15052002       1.96419999      -0.58235117       0.46241769       0.85842052
Cl       8.03357994       3.36484004       7.93820000      -1.03053331       0.86510554       0.14205447
Cl       2.80078003       1.08785998       5.72579995      -0.30352550      -0.82450408       0.56929425
Cl       8.45558995       6.55177004       2.72408996      -0.97839941       0.34965869       0.11898132
Cl       0.90850602       8.93985994      10.92909998      -0.84049079      -1.13646667       0.46076051
Cl       6.02693002       0.80931294       0.23059196      -0.09956844      -0.08884571       2.08286832
Cl       4.95848996       8.14355002      11.17410002       1.25194011      -0.31122319       0.84662826
Cl       2.92198006      11.01249998      10.13589997       0.49493591       0.47773113      -0.61202519
Cl      10.14730005       0.54720396       1.69785002       0.13071600      -0.39888301      -0.63991337
Cl       4.73020003       9.62650005       5.25335995       2.64914696       0.66894978       0.56069923
Cl       3.15532997       9.85993996       2.64669999      -1.24941887       1.54436410      -1.05128683
Cl       1.43358002       2.72223997      11.06319996       0.14314953       2.68899551      -0.65457919
Cl       4.77018996       6.58854000       3.30698004       1.59008373      -4.04692610      -0.16216063
Cl       3.58405003       3.85957004       4.86048996       0.57728505       1.36569651      -1.01036374
Cl       0.22959399       4.70826003       2.25141001       0.05005155      -0.79399092      -0.69020306
Cl       8.10951005       8.62506996      10.97996711      -0.00778461      -0.38354548       0.51261644
Cl       6.77519005       7.65152994       7.26922005      -0.36044384      -1.15128233      -0.60157060
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.46166072 stress="-0.007263477920548622 0.004617998161966439 0.0011410893632233434 0.004617998161966439 -0.009898226814769909 0.0016282801884210346 0.0011410893632233434 0.0016282801884210346 -0.012693886919810934" free_energy=-226.46166072 pbc="T T T" config_type=melt 
Li       0.98178604      10.55530002       8.88686000       0.07878621      -0.36950365       0.11074440
Li       9.10677998       7.74036000       6.46697002      -0.27938867       0.07639135      -0.33774063
Li      10.34679996       6.80232004      11.19440005       0.13817466       0.07095077       0.13229735
Li       5.33450000       7.83862997       2.24060000      -0.87420009      -0.43908205       1.30811227
Li       0.75131595       3.03807997      10.18700005       0.50684395       0.77092226       0.14705285
Li       6.71901004       5.50843996       4.92989002      -0.03700626       0.13110227      -0.37147729
Li       3.66645000       3.71969997       6.68961001       0.32521258       0.34581106      -0.24495999
Li       3.03627996       6.16362998       8.73673996      -0.30349744       0.19776653       0.59496610
Li       5.63115006      11.09199995       8.58591004      -1.52908310       0.26071937      -0.11250902
Li       3.53848995       9.10214004      10.63159996       0.27730726      -0.75580754       0.76640421
Li       6.47835004       5.95827996      10.28500004      -0.36117233       0.84380351       0.01560793
Li       1.19539997       8.15497005       1.93457995       0.13187134      -0.09122318       0.20330395
Li      10.37479998       6.10106998       3.57818994       0.24934585      -0.00092868       0.00113257
Li       8.13476998       8.76613001       9.97899995      -0.41011069       1.13272874       0.25266471
Li       0.19941703       3.54985999       6.25793997      -0.76265305      -0.38159232       0.57291372
Li       8.96388002       0.15102206       7.25600001      -0.08973007       0.35331869      -0.33445650
Li      11.29159994      11.14420003       3.91726999       0.04577097       0.68439454       0.24331353
Li       3.16534001       6.53001003       5.17178002       0.27476570       0.12408660       0.30206595
Li       5.73031998       7.85890994       7.16790997       0.16591406       0.41683638      -1.06972523
Li       3.26711003       1.38417998       8.78055999      -0.04208286       0.46392823      -0.25255830
Li      11.23537911       6.26297003       7.93908000      -0.39360831      -0.46469346      -0.70785328
Li       6.44689996       0.35926795       0.81365103       0.94285373      -1.30231737       0.30965219
Li       5.31172002       0.89342396       4.70845997       0.16488423       0.64362335      -0.29198635
Li       8.59923004       4.27079996       8.14469003       0.25622076      -0.22071356       0.12687315
Li       7.37032995       4.38056998       2.08158000      -1.38266724      -0.15740565      -1.62712054
Li       8.61520002       2.10079998       4.24414998       2.09943076       0.56267229      -4.15599385
Li       2.85134003       9.68034995       4.62824004      -0.03598804      -0.36265266      -0.27196749
Li      10.95890000       0.08380916       0.76165398       0.18820737      -0.56617001      -0.60555540
Li       1.61969000       4.15562005       2.57317005       0.47608676      -0.33322305       0.25690031
Li       4.76393998       2.77494000      11.10609998      -0.00404760       0.15088773      -0.04428256
Li       3.10782005       0.66187794       1.78182003       0.62783463       1.00089146      -0.99770449
Li       8.58196002       8.92963002       2.40119003      -0.18326766      -0.14774054      -0.02654711
Cl       9.96545994       9.72224994       6.73520001       1.32832096      -0.21830812      -0.01051345
Cl       4.57603997       5.85785998       7.31391996       0.60114890      -1.69038142      -1.77738644
Cl      11.00370000       1.61072000       5.62054995       0.72886212      -0.79366660      -0.23328147
Cl       1.72884003       4.71486002       5.48838996       1.73471452       0.18855928      -0.76236288
Cl       3.69819000       8.67377997       6.19511995      -0.22700951       0.19855398       0.69302633
Cl      10.50229997       5.69232999       5.99255999      -1.52841706       1.05941393      -0.31634727
Cl       9.34669996       9.71000999       0.32531695      -0.26344099      -0.29095890      -0.14817168
Cl       6.02552003       9.05936005       0.84628800      -0.05942206       2.51132025      -1.54283944
Cl       8.41366004       6.81101994       9.12061003       0.20558243      -0.81782352      -0.31897667
Cl       4.18764999       1.53466001       6.50298001      -0.80040146      -1.33459824       1.31995859
Cl       6.71184005       3.91023000      10.71539995       0.52490164      -0.23211567       0.12911151
Cl       6.88081998       8.29416005       4.85212001       0.54380233      -0.71407351       0.36372988
Cl       8.04506004       1.99378001       5.93338001      -2.18504683      -0.74328912       4.83075886
Cl       5.81406998       0.71037196      10.40429998      -0.18671000       1.10649934      -0.74956355
Cl       0.35241988       5.57072997       1.53684005      -0.78744142       0.77282208       0.17018602
Cl       5.26811998       1.31185000       2.16068995       0.60614306      -0.33980584       1.77600916
Cl       3.25072998      10.77579997       9.50114995      -0.33827972       0.66707289      -1.18012859
Cl       7.34587997      10.17910001       8.16498994       0.81298841      -0.78330644      -0.06596064
Cl       1.12806005       9.58949003       0.23423599       0.49494476      -0.15002327      -0.18347809
Cl       3.12457005       3.91410000       9.44402998      -0.30440140      -0.89622562      -0.07805287
Cl       0.54481905       0.96493195       9.91118002      -0.50398170      -0.16494182       0.25419232
Cl       0.53973705       6.59149996       9.74609003       1.36082377       1.05687824       0.98771422
Cl       5.49664997       3.66146006       5.07863997       0.17341157       0.97451996      -1.03907967
Cl       2.19939004      11.07170003       3.22659996      -0.90548859       0.20684869       0.63651266
Cl       4.79862997       7.95525999       9.02191003      -0.12428513       0.63262257       3.06309935
Cl       3.26755003       7.72359005       3.18992000      -0.40637234      -0.33016714      -0.56535493
Cl       6.92645997       6.55676995       1.80895999       0.95522307      -1.36846557      -0.30419868
Cl      11.00849998       8.93180996       3.44465000      -0.64741311      -0.75552348      -0.10715576
Cl      10.91929997       3.93316005       8.65037999      -0.87028722      -0.29246442      -0.44727380
Cl       3.30888002       3.23195000       1.35072996      -1.23629443       0.34082019      -0.06278626
Cl       8.62492998       4.60957001       3.56978995       1.26715766      -0.32514104       1.54006580
Cl      10.25160001       1.47853995       2.26715998      -0.22433966      -0.11243309       0.23698029
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.8276865 stress="-0.02073595752096996 -0.0018017822707702314 0.003949249700598303 -0.0018017822707702314 -0.01679769791333108 0.004075193018819515 0.003949249700598303 0.004075193018819515 -0.011614102514308765" free_energy=-223.8276865 pbc="T T T" config_type=melt 
Li       5.26735004       5.93719004       1.93320997       0.30032558      -0.61255212       0.03655216
Li       2.78913003       1.32742996       1.29211000      -0.85636321       3.08228226       0.00642865
Li       7.98753997       4.70660998       4.82511005      -2.39461538      -0.32935504      -0.09899925
Li      11.00049998       4.69272994       8.32992998      -0.98950684      -0.14956675       0.11788581
Li       2.76530003       7.10199999       2.76478001      -2.48922944      -0.30957004       2.96652093
Li       7.87634000       1.52662997       9.26794999      -0.07854240       0.52395842      -2.41072355
Li       9.99919003       6.34430004       2.16383999       0.15150372      -2.70770529      -0.12547469
Li       2.92121000       9.80686997       0.20782298      -0.11368075      -0.25984700       0.69638274
Li       2.57687003       0.74028605       9.29178996      -1.62347616      -0.86132141      -0.36604858
Li       4.37432000       9.94492994       3.19093000      -1.12591188       0.06989186      -0.27547298
Li      10.17980002       0.38196700       1.14896001      -0.63492623      -0.17563376       0.35912914
Li       0.85833203       3.77441004       0.49111302       0.39654544      -0.61264935       0.19699493
Li       4.67099997      11.35889997       6.64660004      -0.87205164      -1.54056482       0.70887384
Li       4.65767997       4.16038002       4.29763004       0.57074709      -1.59114407      -0.04441777
Li       2.04289998       1.71528994       5.97110998       0.32607902       0.28773105      -0.20654948
Li       5.82877005       7.99865997       5.70481000       0.27103812      -0.01947219      -0.29018585
Li       5.60038004       2.39662002       0.22083001      -0.05767292       0.16523585       0.29543136
Li       5.80368002      10.16429997       9.39737001      -0.33713623       0.20977628      -0.66988644
Li       1.51764002       9.14922005       7.32268005       1.22390624       0.23805010       0.25984501
Li       7.25949994       6.96706003      10.70900002       0.18314851      -0.49228258      -0.04795575
Li       2.34452003       6.81281995      11.20910000      -0.37160366      -0.38839096      -0.57158706
Li       7.52977998       4.73503004       8.08420001       0.21537176       0.15862092      -0.00204887
Li       4.19032002       3.81680999       9.10779995      -0.18855523       0.37263054      -0.04874673
Li       1.62760001       6.10868994       5.71888000       0.12507962       0.06421542       0.03895016
Li       8.39556000       4.17203002       0.70344204      -0.32692966      -0.08907305       0.15778375
Li      11.13569995       3.59594995       3.81739994       0.43536329      -0.35000218       0.26328974
Li       0.87088702       9.89530004       3.79486002      -2.30546273       2.24590565      -2.19984610
Li      10.71380000       8.38118998      10.80599998       0.17198896      -1.40874019       0.25612940
Li       9.84009002       7.79719004       5.30068003      -0.83577198      -0.31959782      -1.13705032
Li      10.24259997      11.35280005       8.60820004       0.30720021       0.22967291       0.09826347
Li       7.85444999       9.13711997       2.07416995       0.00216249      -0.03401337       0.13579587
Li       6.80005998       1.13498001       5.14014996       0.00092563       0.02798092      -0.03250525
Cl      11.23949995       8.36277996       6.59786997      -2.68180464      -0.75370218       3.13560873
Cl       0.78048601       0.95195404       1.25583003      -0.26417902       0.57565943      -0.18383887
Cl       9.56685002      11.40720460       3.55825998       0.00427731       0.25165601      -0.15524349
Cl       3.92412998       6.05444005       4.34425997       0.00958133       1.27946435       0.40765269
Cl       9.87188001       2.38572001       8.33885996      -0.10532957      -0.46701854      -0.02081310
Cl      10.43990000       3.88806004       1.78836005      -1.36465951      -1.05089157      -0.69025465
Cl       2.14321002       8.69852997      10.05270002      -0.38191189      -0.05368295      -1.17013517
Cl       9.27615004       5.85034996       9.51946001       0.03782254       0.22449461       0.08697580
Cl       3.43572999       3.82026005       1.17833998      -0.32551608      -0.77965474      -0.49493318
Cl       4.39084002       9.26051999       6.93307004      -0.06306270      -1.07716251       0.48886152
Cl       7.96348997       6.77529002       5.73088001      -1.98388995       1.41732740       0.97114053
Cl       7.64630005       6.47747004       1.48354995      -0.51937911      -0.46060885      -0.25397252
Cl       1.82183002      11.44429659       7.31189996      -0.46434789       0.26983155       0.48436540
Cl       1.61771000       3.77437003       5.17363001      -0.24534290      -0.26285432      -0.51187204
Cl       0.88210505       5.82748995       1.04125998      -0.05092508       1.70157676      -0.22793328
Cl       3.69872000       7.32898001       1.22062001       4.53789607      -0.31690951      -3.72923925
Cl       1.61019001       4.66568995       8.29067995       1.24446899       0.20389763       0.45154218
Cl       6.29965000       3.50954998       2.50421000       0.40944738       0.06497381       0.29496787
Cl       1.68264002       8.79984004       5.01011005       3.96263859      -2.20669982       1.65621519
Cl       9.82988004       5.12036995       4.61657995       3.55990771       0.08526286      -0.42133202
Cl       4.23372998       1.70203001       9.67570004       0.96106559       0.47276924       0.67820006
Cl      10.00530004       8.23891999       2.34100003       0.54681022       2.88110750       0.35519463
Cl      10.72860004      10.39089995      10.69230000      -0.48945300       1.33263421      -0.65439006
Cl       6.47582996       3.88904998       6.20539997      -0.20867430      -0.52106807       0.28479713
Cl       6.30118002       0.19191996       7.79790002       2.37200907       0.52191562       0.74881332
Cl       6.79310001       9.10189998      10.89080000       0.29676630      -0.11530104       0.51851415
Cl       2.22833998       9.25371995       2.33122994      -1.26427361       0.53025939      -0.56528642
Cl       7.71495997       1.27341004      11.15360005      -0.10591313      -0.18976839       2.61972586
Cl       3.89190000      11.30323413       1.42267004       3.47763007      -0.82416472      -0.38967055
Cl       6.30179003       9.63522001       3.84709002       0.85533959      -0.24848947       0.30597389
Cl       6.27933002       4.35982995      10.04790004      -0.13257553       0.34857729      -0.04148481
Cl       4.47679003       1.36802005       5.42607999      -0.70437216       1.74209883      -2.04490781
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.82979729 stress="-0.017316376290740593 -0.0011688117063304486 0.0024740708349749504 -0.0011688117063304486 -0.014650973116983334 0.005046625793330263 0.0024740708349749504 0.005046625793330263 -0.02026359204005182" free_energy=-222.82979729 pbc="T T T" config_type=melt 
Li       6.83201001      10.16700004       7.70335995       0.35953187      -0.58614277       0.70510448
Li       3.14796005       2.69790004       3.57318005       0.62217771      -0.13605273       0.17626950
Li      10.60059998       8.53707003       6.06302003      -0.07169980       0.73693583      -0.00866254
Li       1.87199003       6.86234002      11.12939999      -0.01170051       0.23465384       0.11345058
Li       0.57395999      11.33180002       5.26751994       0.92617226       0.82072105       0.71626024
Li       4.50530994       9.32031996      10.51670002      -0.09627651       0.07700094      -0.81205701
Li       8.98190003       3.69827002      10.54950001      -0.50782534      -0.02023683       0.59365816
Li       7.36375003       4.76257997       4.02254005       0.20833568      -0.12501372       0.50599510
Li       4.30498999       3.52256996       0.68923195       0.56486240      -0.76003511      -0.84329844
Li       6.34340996       8.40654003       5.49429005       0.10218506      -0.55858805       0.65846202
Li       2.51685005       8.43354999       7.41369004       0.01370533       0.01975083       0.08618280
Li       2.11011001       0.35483495      10.62239999       0.88729125       0.64174408      -0.21373642
Li       8.41445004      10.66050004       3.42077002       3.51413973       2.69702568      -1.15202043
Li       6.82950002       2.67458995       6.65165006       0.27050722      -1.50015389      -1.39308061
Li       0.10112905       1.87996000       8.83199001      -0.33063390       0.42526719      -0.66020094
Li       2.01019995       5.91430998       3.54577997       0.65252612       3.03141649      -0.69327845
Li       7.51923995       2.55022005       2.11298995      -1.84261418      -0.55248173       0.44157546
Li       8.09110002       7.70976000      11.23114111       0.35065333      -0.02990315      -0.11708014
Li       0.18434505       2.05107997       2.42198004      -1.03326320       0.55234828       0.47653879
Li       5.17368000       5.48934001       8.37934997      -0.10436260      -0.29750726      -0.08859011
Li       4.82958995       6.86806998       2.26205001       2.60982876       0.53883797      -0.33320166
Li       8.20979005       5.67329000       7.46078003       0.41328145      -0.81105414      -0.53459552
Li       4.39116997      11.43405257       5.56254998      -0.26429824      -0.52357389       0.17633960
Li      11.23359997       9.78369997       9.26646995       0.05343329       0.24558032      -0.12903186
Li       2.28799000       9.34149002       3.29771003      -1.58474203       1.32756587       0.20578907
Li       5.86800999       1.84022996       9.59011999      -1.93790816      -1.32369137      -1.11760373
Li       8.92707005       0.16664604      11.05909999      -0.60774442       0.47011825      -0.14718098
Li      10.64659994       9.36874004       1.60184000       1.07852610      -0.52824951       0.52632256
Li      11.13720005       4.24566005       5.63555005       0.08292730      -0.29728038       0.28211992
Li      10.36029995       5.57194003       2.30868005       0.81681786       0.16269130       1.06780864
Li       9.25729004       0.60325695       6.46104000       0.03796039       0.25851583      -0.20718773
Li       5.82233997      10.28419995       2.58003004      -2.31787309       0.69818033      -2.96668286
Cl       8.79325003      10.12450000       1.19579996      -1.60751591       0.45277008       0.24063998
Cl       8.21931997       2.02234005       4.23833999       0.95345801      -1.33184784       1.28006643
Cl       8.55071998       8.54574998       6.43791002      -0.63099545       0.29487853       0.36507664
Cl       0.84889704       7.60093005       5.50706000       1.45387691      -1.10567354      -0.37139425
Cl       5.91166001       3.46569005       3.21128999      -2.41623549      -0.13829273      -1.03912820
Cl       1.49939004       4.11788996       3.98045995      -0.91379140      -2.43588138       0.09741120
Cl       6.89553003       3.16763997       8.56201000       0.40112708       1.33946492       1.41007517
Cl       6.38894997      10.44970001       9.94775004       0.25978502      -0.24687690      -0.09853217
Cl       8.85814003       5.57609996       0.97385700      -1.61999468       1.24524528      -1.39789078
Cl       4.94956994       9.25743999       6.96900001      -1.60292199      -0.80590064      -0.48321332
Cl       1.03504003       1.07071997       0.82747603      -0.01911578      -0.26440344      -0.06146937
Cl       9.80157004       3.77920005       8.55141001       1.27944220       0.60209481      -0.34709225
Cl      10.47749998      10.47440004       4.25573004      -0.31061659      -0.29706506      -0.76628200
Cl       9.35693000       5.25871996       4.75525005       0.69510826       0.52678271      -0.20461161
Cl       2.15778995       9.94674004       9.67653005       0.87012562      -0.49148620       0.81567187
Cl       6.32307003       4.54033997       6.10366996      -0.80459586       2.35716918      -0.90139903
Cl       0.50780501       2.11494999       6.34348000      -0.28917246      -0.35205496       0.03120967
Cl       6.15025999       0.43604699       6.64595999       0.82743763       1.60582609      -0.23088477
Cl       2.94300004       0.18003998       3.75606994       0.01697619       0.14824529       0.19415032
Cl       4.64839001       8.75319005       1.11704999       1.80014935       1.48265230      -2.40005721
Cl       6.96504002       9.72113000       3.92448996      -1.80391193      -2.78461630       2.85865702
Cl       3.55372001       7.91481000       3.20573004      -1.20727772      -1.18421950       4.80809019
Cl       9.63026996       0.45799604       8.89612005       0.31885524      -0.39377396       0.05147371
Cl       3.85847004       5.40835003       1.53839003      -1.85899263      -1.96703092      -1.35497039
Cl       6.61824005       1.84974004      11.36158915       0.53269274       0.11768368       3.03829751
Cl       0.71777697      10.29060000       7.22411005      -0.43091115      -0.06488873      -0.62474784
Cl       0.58941395       7.20838003       1.90135005       0.31834136      -0.49276144       0.60148057
Cl       3.38327999       2.48773995       9.80879001      -0.16814248      -0.25445027       0.46983782
Cl       6.85613005       6.88696002       8.46778004      -0.20681421       0.55733956       1.45335193
Cl       3.21524998       6.74821999       9.18956996      -0.09362765      -0.10160058       0.02259496
Cl      10.83310005       8.55427000      11.06590003      -0.24861443      -0.33481488      -1.51582842
Cl       9.27075002       2.67756997       1.35357998       3.65195108      -0.57090270      -1.25497086
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.85025173 stress="-0.02379921906547396 -0.002690204846359471 -0.005774478812067808 -0.002690204846359471 -0.01036627811464817 -0.004548632725873315 -0.005774478812067808 -0.004548632725873315 -0.009620410689992264" free_energy=-223.85025173 pbc="T T T" config_type=melt 
Li       8.28953994       3.99724997       9.51208997      -0.13739039       0.62321776      -0.39921880
Li       6.00059004       0.05874400      11.41939996      -1.68193624       1.43990910       0.78573816
Li       6.20129003       3.48945000       6.00677994      -1.29126855       0.13913716       0.28525468
Li       3.56063997       4.35717001       8.66286001      -0.40057960      -0.26668271       0.46676983
Li       3.71669003       9.60040001       9.35894003       0.63323396      -0.35708647      -0.66368853
Li       9.33310997       2.02266999       4.52752004      -1.13129008       0.29710122       0.47504278
Li       0.12008696       3.07983998       8.80469998      -1.35474954       0.49677162       0.95331152
Li       8.18843004       9.36233002       9.37270003      -0.24377449      -0.24683495      -0.07777392
Li       9.60157005       9.91554997       5.98385001       1.11027356      -1.82654449      -0.08235383
Li       4.27749005       9.96864002       2.17447002       0.08173110       0.01213195       0.23476459
Li       6.18128004       6.82424995       8.06873997      -0.32614399       0.10886911      -0.87211132
Li       2.30629995       8.86106996       6.57359998       0.85935514       1.32146757       0.36126648
Li       0.48595295       9.70388004      11.18119996       0.14208348       0.03595506       0.25628092
Li       0.25278405      11.08490001       3.07364996       1.44420092       0.59636402      -0.39481057
Li       3.08999000       5.91301004       0.55219597      -2.05423328       2.56068578       1.73166891
Li       4.74754995       1.29070999       3.49943997       0.65011925      -0.03513104       1.14864637
Li       8.87503001       9.82335996       2.39826996      -0.06434512       0.49340651      -0.51173568
Li       7.57013000       4.66822998       2.96604004      -0.35377808      -0.34185089       0.29859927
Li       2.57798997       1.98341997       0.44973396      -1.23869108       0.90626764      -0.65957821
Li       9.09217001       6.04831996       6.63413997      -1.62550148       1.03163398      -1.07028048
Li       2.35498003       1.34129005       6.31240000       0.51812703      -0.30464469      -0.13110690
Li       5.95064005       7.82477998      11.40382034       0.19771393      -0.28160105       0.51035433
Li       6.31244998       8.23311998       3.67279995      -0.30278782      -0.13760842       0.44858335
Li       0.79777999       7.53557001       3.76016006      -0.07226028      -0.49970943      -1.89546636
Li      10.40869997       5.30958995       1.87705999       1.12829972       0.41146558      -0.30430765
Li       9.85540996       1.47540997       0.98687206      -1.11565128       2.25665512      -0.83911206
Li      10.43629999       0.39111205       8.28925999      -0.70207012       0.16185164       0.24832587
Li       1.12746001       5.46323997       6.89954001      -0.31402307      -0.13032599       0.08776371
Li      11.19969998       6.56274995       9.77612002      -2.79592976       1.79526759       0.32141230
Li       3.80287000       5.72328996       5.06918996       2.55762268       0.85307788       0.80350664
Li       6.42950005      10.58400004       7.03618998      -0.46793807      -0.11539272      -0.75313723
Li       0.76433800       3.63706005       4.23495001      -0.76583458      -1.07065779      -0.79871570
Cl       7.86778994       0.31851095       0.36221095       1.64926898       0.49086864       0.64924522
Cl       4.92330000       5.07523003       7.10595001      -0.37572113       0.62589901       0.86082884
Cl      10.29350000      10.15439999       4.07628999      -1.00991486      -0.78665603       0.18908095
Cl       0.87304299      11.45260005       7.38886999      -0.13048746      -0.70295704       0.16461959
Cl       7.80978000       6.76146995       9.48728001      -0.49390904      -0.50279553       0.58190316
Cl      10.58480002       5.09946999       4.02418002      -1.07853414       0.11222805       0.51955968
Cl       0.74610200       7.48559997       1.29580001      -0.65718296      -0.11775287       0.21569463
Cl       0.49096697       3.01627995       1.38504003       0.67169556      -0.14972798       0.30187280
Cl       1.94758996       0.03479203       4.27930003       0.68944152       0.36110312       0.16607198
Cl       6.07816996      10.51850003       3.95217998      -0.65831396       0.22864247       0.22141805
Cl      10.34000004       4.89458003       7.55185995       2.98681285      -0.03589060       1.72586760
Cl       3.91150999       4.53360000      11.12240001       1.97548162      -3.00920812      -1.87873291
Cl       5.89865997       6.05684996       4.39367996       0.84528037       0.26687572      -0.90121277
Cl      10.19590000       8.77400999      10.00629995       0.82155650       0.21174482      -0.12082090
Cl       2.13148000       5.02757004       4.50996994      -0.44042914       0.06072160      -0.38189914
Cl       9.53594003       2.30373998       9.83332999       1.09703881      -0.82423859      -0.49086437
Cl       5.81005003       9.84695999      10.38930000      -0.26088723      -1.79432795      -1.88226231
Cl       8.56491000      11.25552208       6.85426997      -0.36293063       4.29957003       1.72908925
Cl       1.27790003       5.55476000       9.52812001       2.90134859      -1.05455229      -0.29957762
Cl       6.68327003       2.55520002       4.22935005       1.04319167      -0.45517234      -2.57323165
Cl       4.69077001       1.87428002       6.37629994      -0.79403091      -1.06002981       0.41834677
Cl       2.64137002      10.93819998      10.46949997      -1.11521060       0.25232267       0.42232493
Cl       4.51518000       8.68611003       6.87400000      -0.20842497       0.23749686       0.88083725
Cl       1.70277003       3.10918006       7.56124002       1.24849956       0.31225103      -0.98614290
Cl       7.93086997       8.66066999       6.64117996      -0.56354162      -2.66947708       0.13268952
Cl      10.85220000      11.28740001       1.19139997       1.20713403      -2.07550329      -0.68187243
Cl       8.10355997       3.79394999       6.56277999       0.30341666      -0.18994080       0.41984500
Cl       3.86405005       0.95584398       1.59283997       1.29158049      -1.00492261       0.21945760
Cl       7.14023004       8.70841998       1.70109006       0.47473225      -0.93711513      -0.64533201
Cl       3.90448995       7.59400001       1.78043996       0.67235037       0.64090897      -0.12437715
Cl       8.97667003       4.00925995       1.15287002      -1.57944325      -0.11915007      -0.12231187
Cl       0.85467905       7.77804997       5.74637994      -1.03245176      -0.53838051       1.30599276
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.91208117 stress="-0.011017954413281624 0.00302932844418647 0.0005950132573548536 0.00302932844418647 -0.005865964312540792 0.0030731687918036563 0.0005950132573548536 0.0030731687918036563 -0.017601320949196565" free_energy=-227.91208117 pbc="T T T" config_type=melt 
Li       5.60262005       4.67798998      10.67629999       0.23592049       0.58373731      -0.64254907
Li      10.23929998       6.70359998       9.25475999       0.03355030      -0.35235931      -0.43500036
Li       9.42550003       1.73009996       5.47482004      -0.70553120       0.11750656       1.31906645
Li       8.31184003       3.48149000       8.45731005      -1.31500307      -0.59552373       0.25439888
Li       1.75396997       7.69998005       3.09986005       0.20041994      -0.06752793       0.27677780
Li       8.62939004      11.08040005       2.18123004       0.46657747      -0.02499262       0.41293826
Li       6.48308994      11.23310002       7.21671995       0.35878109      -0.22307559       0.00406790
Li       6.27375001       0.85469005       0.20506204      -1.09182439       1.05989373      -0.30700805
Li       0.36857901      10.69870005       0.45248505       2.13141034       1.29799181      -0.40249166
Li       7.05368998       5.10180997       4.73160004      -0.48465792       2.13395865      -5.05166164
Li       5.34530004       3.08323994       6.76478003       0.23250824       0.06103400      -0.47877675
Li       3.05723001       0.70387699       7.54414002       1.20857024      -1.11147532      -0.36730759
Li       1.90505003       7.76889998       6.96580996      -0.08450318      -0.30374787       0.02647208
Li       2.18762998       5.98460000      11.29589997       0.04213054      -0.08107019       0.00567271
Li       4.77624000       7.13214005       3.33525004       0.22264330      -0.39237961       0.02386056
Li       8.08859003       3.54839004       1.64276003       0.09271403      -0.58745676      -0.26898171
Li       9.45012003       8.64902996       5.66123003      -0.26108030       0.27950749       0.02636539
Li       1.57049001       4.33422001       8.32381000      -0.15474654       0.88453137       0.11770019
Li       3.29603005       2.26109996      10.22640003       0.22752769      -0.05774858       0.42808230
Li       8.81682002       0.29265900       9.80048999       1.79000608       1.37192148      -1.24795219
Li       0.40614299      10.24849995       8.45960004       0.26480489      -0.09532638      -0.42550174
Li       6.56585001       8.90982995       9.49045997      -1.07268151      -0.38183645       1.76147290
Li       5.66133000       6.61771005       7.20557999       0.21646646       0.29780081      -0.05640538
Li       0.68636003       3.15465003       2.94045004      -0.06013688       0.66985789      -0.16373590
Li       8.94642003       7.71496994       0.75896996      -0.05107288      -0.69473159      -0.14994970
Li      11.21689996       2.64023998      10.75350000       0.23983345       0.09616910      -0.29284034
Li       0.52588499      10.91150002       4.57733004      -0.91366750      -0.15016831      -0.56797141
Li       3.92180996       2.12397995       2.33192995       2.90128314       1.06828012      -1.02925619
Li      10.31829999       5.26289995       4.52037000       0.34878947      -0.30452140       0.05086009
Li       2.98056998       4.72329005       4.92497001       1.78072250      -0.29332074       1.06961331
Li       3.45893002      10.60040004       5.19517999       0.30707411       0.33605448       0.35321973
Li       3.32462002       8.81397997      10.34110004       0.06575763      -0.19296782      -0.54917572
Cl       7.57483998       9.10470999       7.87519002       1.11964897       0.70628819      -1.69738317
Cl      10.01700002       4.48593004       8.19705003       2.34436553       0.92975750      -0.42931248
Cl       9.63976995      11.27030000       4.73879996      -0.22662467      -1.91940704      -0.57995011
Cl       5.00695004       7.23271996       9.77095995       0.29225262      -0.37051013       0.37842500
Cl      11.06499996       0.18501995      10.11560005      -0.14244802       0.64843936      -0.73746961
Cl       8.92736996       5.18101003       2.81226002      -0.46419473       0.99894668      -0.10905769
Cl       3.79375005       8.83621001       4.28586998      -0.08706813      -1.12955109      -0.89696056
Cl      10.30679994       2.58365000       3.88071006       0.55968936       1.12662452      -0.82756455
Cl      10.42869998       9.42085998       0.77400904      -1.99931003      -1.69567251       1.00605728
Cl       5.36726996       2.67944003       8.86263002       0.35559981       0.19568249      -0.20182505
Cl       3.39234995       9.19488996       7.59773003       0.78575484       0.06894139       1.00590645
Cl       4.97116005       4.64834002       3.74812004      -0.00651168      -0.05422083      -0.14605112
Cl       1.37771997       5.19248004       3.91567003      -2.07058417       0.59349899      -0.78447811
Cl       7.26881994      10.94720002      10.58630001      -1.50259856      -2.17974642       0.49427646
Cl       1.72379002      11.15529997       6.24649999      -1.77278762       0.73590816       0.25557247
Cl       7.25169999       4.53070997       6.37667001       0.17417716      -1.83338834       5.18438788
Cl       1.50279997       6.65873005       9.32281998      -0.51154597       0.11734750       0.30913436
Cl       3.56919003       5.55515002       7.07610001      -0.23540688      -0.49322107      -0.61729877
Cl       4.83572001       0.63806400       5.91317994       0.49670908       0.85541983       0.08563392
Cl       1.72067002       3.84441002      11.39319020      -0.57217651      -0.62237343       0.10062858
Cl       8.29809998       6.05785996      10.63060005       0.05042920       0.94100410       0.40571508
Cl       2.74134003      10.95890000      10.83399999       0.02628136      -0.05957836       0.31757001
Cl       4.94713000       2.85989995       0.19249696      -0.17325425      -0.31304982       1.98582044
Cl       3.25673004       6.89537996       1.52639999       0.03085653       0.39760063      -0.24042789
Cl       7.12899001       1.20474004       2.03210005       0.28422790       0.31037218       1.42381286
Cl       2.19545997       2.28129005       8.39766003      -1.38227477       0.82469956      -0.04558471
Cl       2.19613005       1.68964997       2.91596005      -2.10098154      -1.56198441       0.94860471
Cl       8.03817999       1.52632995       7.30044003       0.39183169      -0.67036197       0.38243535
Cl       9.05287998       2.86897003      11.05259997      -0.38281430      -0.43419371       0.09006714
Cl       7.29784005       7.54674000       5.23483001      -0.11426524      -0.24049721      -0.81361037
Cl       0.12391993       8.58958996       4.38834001       0.13868361      -0.22896355      -1.02687466
Cl      11.10590005       8.33998002       7.30524001      -0.47824660       0.00817422       1.08579772
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.66834445 stress="-0.005735093304140168 -0.0037876438410204025 0.001241867921531963 -0.0037876438410204025 -0.012341164009825002 -0.006285103508108811 0.001241867921531963 -0.006285103508108811 -0.015680061089304843" free_energy=-223.66834445 pbc="T T T" config_type=melt 
Li       3.42366005      10.09960005       7.89836999       0.34906973      -0.76678858       2.72179426
Li       8.89358002       6.83434998       0.27492502       0.25022529      -0.56410173      -0.61325334
Li       3.20230005       0.00301992       0.45604299      -1.02167625       1.89984817       3.17675063
Li       3.01147997       4.65863002       7.29104999       0.14478871       0.86815942      -0.43448161
Li       7.24980002      10.89449998       6.32588004      -0.06392871      -0.23558289      -0.26642083
Li       4.09483999       7.52850996       0.84554901       0.01312241      -0.15635898       0.12515372
Li       8.25418995       1.97259998      10.64389999       0.82495747       0.36107603       0.11620794
Li       8.67175996       2.92182999       7.13901002       1.40271485       0.18418280      -0.69937803
Li       0.42006796       1.33396999       9.48114994       1.06419029       0.52267060      -0.99845262
Li       5.71594996       2.86919003       1.68129996       1.83279776      -1.53031957      -2.47377062
Li       4.86861000       1.51675005       9.29301996      -0.30403188      -0.34404040      -0.43830938
Li      10.55780004      11.37609994       6.53288997       1.37280004       2.24572050       1.40316249
Li       8.77132001       8.99505002       3.54538995      -0.01185992      -0.68284260       0.86966887
Li       1.23778995       2.42983995       3.59563995      -0.29339493      -0.03659018       0.10377987
Li       8.89205000       1.35136004       3.46077004       0.43688753      -0.22129958       0.09689557
Li      10.09200003       5.10890005       8.53017002      -0.29413230      -1.39169549       0.72899873
Li      10.62890001      10.86689996       0.62918904       0.26666973       0.24597278      -0.75583528
Li       1.40344995       4.49864003      11.05559994      -0.98857353      -2.07360031       0.05333655
Li       1.07262006       9.05954004       5.62945999      -0.16171409       0.01576578       0.14388611
Li       4.06728995       8.22678000       4.69697998       0.32334668      -0.16383479       0.07049738
Li       6.64651005       5.99373004       2.07789996      -0.48752401      -0.25769880      -0.68266282
Li       6.53358001      10.45230000       1.54921999      -0.08265729       0.10346545       0.22690233
Li       0.90802796       8.45377997       9.82488001      -0.26671760       0.01981389      -0.31892640
Li       6.41356000       7.04941002       6.62180005      -0.25724475      -0.55774562      -0.43128931
Li       2.96639004       4.72133000       3.55930002      -0.24784006       0.74096735      -0.43488714
Li       9.98974003       5.54778995       4.22860006      -0.03043120      -0.37589800       0.14575895
Li       2.26751996       1.47752995       6.46679003      -0.30956161       0.39214042       0.32806719
Li       6.31122995       3.97670001       5.20647999       0.11991449      -0.04521909       0.04311765
Li       0.03827384       6.82963002       1.88308997      -0.05336248      -0.44702048      -0.67334442
Li       4.06938001      11.29870000       4.52427003       1.03000357       0.38705984      -1.25848137
Li       9.19062995       8.56504001       7.95177004      -0.85355958       0.94467129      -0.17634927
Li       6.14716005       5.10484995       9.45272999       0.15543963      -0.95608843      -1.82908281
Cl       2.41017000       3.78040001       5.33488004      -0.06202905      -0.93589857       0.66411711
Cl       3.47703005       2.96649998       8.42149002      -0.46498448      -1.01432315       0.90318369
Cl       3.34020995       7.59088998       6.88261999      -0.34379505      -0.38050116      -0.10365308
Cl       4.88118998       6.22859003       3.05855001      -1.69607674       3.22560878       0.52670523
Cl       3.12332996      10.48610002       6.05635000      -5.55967892      -1.91043422      -3.00215182
Cl       4.97812999       1.53079998      11.45439994       0.84081285       0.77464742       0.90634237
Cl      10.16160002       0.50586102      10.04610003      -3.39271380      -0.59300029       0.82021326
Cl       8.03556005       2.06749005       1.59137002      -0.57609871       0.29022877      -0.19009580
Cl       8.08117998       3.78356003       8.73707999      -1.50595369       0.36790879       2.63925311
Cl      11.46236063       2.42208001       7.39054996      -0.09641333      -0.13690058      -0.04955684
Cl       0.69229096      10.56810000       8.45332002       0.67458172      -0.97056129      -0.83326211
Cl       0.29669098       4.37911998       3.16648002       0.04786333       0.10339013      -0.92045432
Cl       8.62690998       6.05780000       2.32342002       1.13039721       0.36943660       0.45394013
Cl      10.51010003       7.03325994       8.03241999       1.22061451       0.30298012      -0.39911779
Cl       6.22364996       9.04630005       4.39942998       0.73018319       0.25403751      -0.10294094
Cl       8.48247999       4.88241001       5.87401005       0.02918114       0.79764652      -0.77733320
Cl      10.45939994       8.38192003      11.13349996       0.00572341       0.27427969       0.56031206
Cl      10.06430004       4.40873003      11.01039996       0.62933506       0.76871229      -0.05155917
Cl       0.53952805       0.36164897       4.05469002       0.40138674       0.25056425      -0.04028168
Cl       1.74440004       6.46885005      11.09299998       0.93849284       1.68193062       0.43236441
Cl       5.38040000       4.93344005       7.06652997       0.31560166       0.66377736      -0.06990990
Cl       6.79838997       8.86140999       7.66341003       0.80982314       0.43300702       0.81924838
Cl       5.13651005       0.23930596       6.50139003       3.75142719       2.83844034       1.17564325
Cl       8.98590003      10.35369997       1.95131001      -0.95349977       0.28800870      -0.02275045
Cl       4.12077002       9.72526998       2.04760996      -0.06369430       0.27239779      -0.11638364
Cl       8.37946002       1.71466996       5.63077001      -0.66973136      -1.93630310      -1.55734151
Cl       4.78534998       3.65419996       3.08225998      -0.75572071      -2.04236261       2.28042130
Cl       3.62398997      10.69789996      10.33439997       0.58258684      -2.80512510      -4.53113895
Cl       1.02800005       1.80112003       0.00981996       1.25894594       0.36264288       1.21435503
Cl       9.76693003      10.00509999       5.45073003      -1.40512199      -1.99064397      -0.51454035
Cl      11.22966406       7.39572998       3.94404000       0.45382583       1.21505369       0.55148310
Cl       6.11628996       6.01580004      11.22119998      -0.13398868       1.05656597       1.46583611
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.09990604 stress="-0.005481377456135204 0.003427227341051961 -0.00256248728554659 0.003427227341051961 -0.024383929707133573 0.0012489551925934583 -0.00256248728554659 0.0012489551925934583 -0.015427312094754042" free_energy=-224.09990604 pbc="T T T" config_type=melt 
Li       1.97914001       9.07392003       6.46052996      -0.22549851       0.71644562      -0.31482027
Li       7.77658999       7.53000995       2.69677998       0.70679137       0.17616704       0.28305618
Li       5.97444999       5.45387996       0.61803303      -0.03015393      -2.34282390      -0.80866399
Li       0.37381005       2.15798002       8.29355003       1.06263106      -1.37500547       1.36331613
Li      10.34850000       2.17337002       1.41208003       0.54950730      -0.17031859      -0.43178122
Li       4.31558001       3.33696005       3.90091998      -0.63933895      -1.55825368       0.03479321
Li       7.73996998       1.09603998       4.06684995       0.09401551      -0.35695869      -0.51755033
Li       8.81452005       3.34463997       8.61147000      -0.40066552       0.08661011       0.17111750
Li       1.89073000       1.13775001       5.04204002      -0.07805207      -0.20999205      -0.47805013
Li      10.80819998       5.46024997       6.85827995       0.39288213       1.16172108      -0.01982617
Li       7.55738000       0.04971989       8.88611001       0.01891653      -0.67795567       0.07588238
Li       4.94802995       0.98593199       6.90159005       0.54981636      -0.49786080       0.44493478
Li       2.84572001      11.08890001       9.62187994       0.19875200      -0.39554567      -0.25079676
Li       4.80551003      10.55390000       2.47498995      -0.10712524       0.52647627      -0.29717260
Li      10.08220002      11.03390001      10.54880000      -0.10054364      -0.56498923       0.32334228
Li       2.44877000       6.81925003       3.10181001       0.99828023       0.05247964       0.65463486
Li       5.59007996       8.61800005      10.96650002      -1.29598196      -2.84832632       0.43884396
Li       8.83612999       7.07069999       8.91508002      -0.16155508      -0.03443545       0.17026058
Li      11.22129995       5.55968001       0.98761001       0.29301316      -0.02175115      -0.10989143
Li       5.14920995       8.31771995       6.11340004      -0.45496398       0.10981656       0.12694250
Li       1.99642000       4.51286995      10.88010004       1.30162210       0.07323389      -0.00802438
Li      10.40010004      10.42640001       2.95368005      -0.55537565      -0.58102188       0.54130859
Li       0.68234696       7.64413995      10.27239999       1.27039296      -1.02459482       0.05527370
Li       6.76689003       0.82057098       0.16319403      -0.59207962       0.50234140      -0.59184857
Li      10.21180004       3.95677005       4.24470003       0.35722959       0.35706186      -0.00525525
Li       1.87745001       9.32228001       1.56309005      -0.62631089       0.31183121      -0.19764715
Li       2.37921002       1.24546001       0.63235800      -1.14490804       1.28573841       0.26434392
Li       7.33232999       4.35594998       4.98050997      -0.31849560       0.19168849      -0.86681506
Li       5.31177997       3.71515003       8.70357999       0.23975919       0.93791313       0.04091191
Li       9.38827001       8.88241003       6.32880997      -0.13803693       0.07225234      -0.11957913
Li      10.95770004       7.14231001       3.44569004      -0.03774621      -1.78987308       2.10275939
Li       2.70821995       5.26792005       7.34979995       0.17059955       0.00504141       0.12354684
Cl       3.22720998       9.05243998       3.27135995       0.75473665       0.16178143       0.85472607
Cl      10.83530004       3.51873997       7.29311000      -0.57785475      -0.31506696      -0.95583437
Cl      10.89959998       8.37841998       1.98037001      -0.81223771       2.00577654      -1.13972431
Cl       3.85202001       1.43398999       2.20825995       0.63732103       0.93520417       1.11189381
Cl       3.96363005       5.68853004       9.35517000      -0.18328734      -0.78834909       0.06993949
Cl       0.72545196      10.73880004       5.26137004      -0.15108235      -0.46258372       0.77687608
Cl       3.11131998      10.85879998       0.31587600       0.40783379      -2.40398037      -1.05106002
Cl       1.89433001       7.06528002       1.12180996       0.57733613      -0.78456071      -1.50554431
Cl       8.40025004       9.58664998       4.23060000      -0.04177043      -0.42282372       0.63199032
Cl       2.56013998       1.71037005       9.18199999      -0.19030946       0.56980491      -0.19083915
Cl       9.58233001       5.47233997       2.57363997      -0.49869593      -0.57278657      -1.11507889
Cl       0.41210201       5.62351003      10.19910002      -1.43120047       0.32697204      -1.57047479
Cl       1.50912000       5.22081000       4.17435005      -0.92122728      -0.49638443       0.45402923
Cl       4.28627994      10.16640000       7.29912004       0.09788749       0.38439422       0.10727532
Cl      11.26159999       9.32500003      10.35320001      -0.26546834       1.97650676      -0.03717454
Cl       7.28330999      11.45190004       1.97389005       0.11640929       0.09666440       0.98605644
Cl       6.11904001       7.24989998       1.28715996       0.11568413       2.57896281       0.23462894
Cl      10.10000004       1.53598000       9.86225999      -0.83274072       0.17286967      -0.42640415
Cl       8.34575997       9.38087005       8.63234003      -0.09713056       0.14004314      -0.83702102
Cl       5.01787997       5.09802996       3.31723003       0.78433065       1.55657109      -0.46353042
Cl       0.52798799       3.19066002       0.17091201       0.14592946      -0.96457337       1.44684263
Cl       6.48737002       1.92056006       9.03049998      -0.21559182      -1.10145063      -0.08486299
Cl       7.34994004       4.66278994      10.11469999       0.22780537       0.80089391       1.00576100
Cl       9.56549999       6.26402005       5.41353005      -1.32963725      -0.41011737      -1.85294552
Cl       6.35068003      10.28479999      10.76299999       0.94262061       2.86228522      -0.79179018
Cl       3.63891005       2.19603994       5.85068001      -2.18628677       0.81285780       0.40020797
Cl       7.37274995       4.38798003       7.03702997      -0.05701882       0.43003081       0.82177319
Cl       0.28007901       0.33277503       2.18591996       1.46671773      -0.04411441      -1.62192547
Cl       9.78658003       1.84816003       3.45521995      -1.05912507       1.14497339       1.54325753
Cl      10.60160001       7.47697997       7.60560002       1.55129778       0.77596940       1.49934744
Cl       3.11707998       7.24914999       6.47075002       0.25021124      -0.37147308      -0.24007735
Cl       6.19750005       2.41118997       4.83459995       1.47716650      -0.71140926      -0.25786427
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.469236 stress="-0.007079958815237257 0.004715334521750625 0.0027182406755039325 0.004715334521750625 -0.0117050912405874 0.0006827100931318246 0.0027182406755039325 0.0006827100931318246 -0.008024224722228577" free_energy=-226.469236 pbc="T T T" config_type=melt 
Li       3.36800005       9.02258000       3.71038995       0.20562836      -0.29748632      -0.21927643
Li       6.70711000       8.17648002       5.96037999      -0.19190658      -0.89455668       0.67566680
Li      10.06550000       5.55442995       2.61718004      -0.02543751      -0.13143850      -0.20535793
Li       8.08401005      10.94580000       9.98593996      -0.84793981      -0.26044353      -0.28446519
Li      10.46940000       2.47448002       9.89517004       0.01296816       0.08475061      -0.31451283
Li       4.33687995       5.19042002       7.37716003      -0.35045756       0.53817318      -0.28268769
Li       6.41448001       2.52349005       1.72195000      -0.23678188       0.79814642      -0.09230659
Li       6.57428004       3.16959005       8.47223001       0.01691315       0.56775406      -0.45737528
Li       2.66819999       0.70040698       1.72906003       0.30651064      -1.41612074      -3.61995452
Li       1.41429000       5.43437004       9.18045001       0.00439117      -0.04974634      -0.02586682
Li       5.29317998      11.37070004      10.09270004       0.19286941      -0.27381783      -0.00452658
Li       5.21759002       1.66269997       5.33173997      -0.28635365      -0.19371051       0.12383255
Li       8.59732995       0.11211986       5.59314998       0.14251546       0.21521635       0.27563176
Li       9.60335997       0.84649596       1.51970004       0.16897842       0.70451885       0.83450127
Li       7.08759994       4.92412004       4.63516000      -0.44625105      -0.50632355      -2.30345913
Li       4.28765004       5.33502999       3.00747997      -1.11155424      -1.59588430      -0.37014994
Li       0.75543495       0.36826501       5.39745002       0.62584033      -0.32003030       0.22550593
Li       1.42119000       7.24743998       0.89765898       0.00396371       0.58945442      -0.22555118
Li       1.53022998       3.29051997       2.76610001      -0.46715866       0.29470813      -0.15888724
Li       7.28393995      10.18380002       2.48115005      -0.41364063      -1.30401070       0.01544201
Li       1.13081996       7.09891003       5.83850999       0.42305412       0.04998080      -0.15548927
Li       0.14213105       9.39645998       3.01898002      -0.08948637       1.31232609       0.29020244
Li       1.75121006      10.49399994       9.96483996       0.60950470      -0.68837504       0.98931894
Li       4.06495995      10.31860001       6.78462000       0.31904537      -0.31446565       0.30234867
Li       9.81504997       3.12858003       5.12319005       0.09721231      -0.66501711       0.04801611
Li       2.63064003       2.01313997       8.74719997      -0.12137455       0.27986112       0.67219538
Li      10.83170003       9.48614000       7.45011997       0.28911875      -0.25149193       1.22966539
Li       8.69834001       7.27970000      10.38349999      -0.01041773       0.21297116       0.79867202
Li       4.16896998       3.52850995      11.26440002      -0.56130690      -0.42600143      -0.99404874
Li       9.04900998       5.41917001       8.05329999      -0.70572533       0.66833368      -0.38947145
Li       6.28058994       6.63492000       0.95915601      -0.92792717       0.22718267      -0.00634718
Li       5.55763994       7.83589999       9.24327003      -3.47458933       2.06710602       0.50044177
Cl       6.29525998       9.96806004       4.94580003      -0.07353731       1.17425415      -0.79640519
Cl       6.53946004       1.68752999       9.93237999       0.59375896      -0.25439793       0.88751704
Cl       1.59726999       9.95607001       1.40743997      -0.04589746       0.83285430       0.35466073
Cl       4.88188999       4.63142001       9.43433005       0.18536081      -0.07477584      -0.58926894
Cl       9.10615999       5.12473004       4.66108005       1.27381643       0.81891711       0.42001388
Cl       7.36134998       0.74280006       2.15437004       0.55827355      -0.22395585       0.16357891
Cl       7.12468998       9.03620002      11.33376408       0.01429055       0.70923469       0.90190982
Cl       8.87498003       2.11121998       7.36972005      -0.34207669      -0.00495951      -0.69486893
Cl       3.81575001       1.23315999       7.07601001       0.25434716      -0.02448475      -0.36109643
Cl       3.59501997       0.93937004      10.88469997      -0.84145459      -0.61060017       0.57538179
Cl       3.74276003       7.99094004       7.12894999       0.74997049      -0.51861328       0.44596295
Cl      10.67159998       4.53257005       9.00905994       0.52195330      -1.26792622       0.38081213
Cl       9.65162000       0.63836998      10.87730001       0.73994190      -0.02084600      -0.02177187
Cl       9.88534996       9.72939998       5.63016997      -0.41062668      -1.09861316      -0.38736857
Cl       2.09902003       5.53748998       1.95746999       1.27358807      -2.25801528       0.39743239
Cl       2.41781002       1.17261002       3.49195001      -0.29241545       1.58478255       3.11743451
Cl      10.53039995       7.43845002       9.14858998       0.45623041       1.34117633      -0.57882160
Cl      10.43690003       3.02611000       2.58612996       0.52811105       1.37041598      -1.42274298
Cl       6.12907997      10.17049997       8.47736005       0.01838478      -0.17454715      -0.64212466
Cl       2.01167999       5.15006002       6.55322004      -0.11667816      -0.25107151       0.19222819
Cl       5.39240000       4.39345996       1.18408003       0.52891726       0.58127557      -0.01248934
Cl       2.22574997       9.89443002       5.43922001      -0.96946294       0.19472816      -0.70412108
Cl       6.40125000       5.25268001       6.38163003      -0.91354278       0.40471647       2.30779119
Cl       7.12736001       6.94759001       8.93043000       3.39063515      -2.18776479      -1.15889821
Cl       0.48985894      11.25219997       8.45837004      -0.05632497       0.43002811      -0.64309411
Cl      10.45340000       0.89855205       4.31304995      -0.45870646      -0.60299743       0.46026001
Cl       0.31450200       7.39628004       2.97220002      -1.22587402      -0.49932396       1.10820365
Cl       2.87131000       7.98932003      10.87749994       0.36440091      -0.09867874      -0.96837457
Cl       2.07486995       3.54923003      10.54489997      -1.18247530       0.14693013      -0.42258047
Cl       5.66358996       3.21656001       3.89966005      -0.01163153      -0.28572544       0.37859455
Cl       5.30195004       6.99979995       3.21788000       0.77873784       2.14958899       0.45454712
Cl       8.28424998       6.29823003       1.25119995       1.55978062      -0.30316863      -0.01400895
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.05726187 stress="-0.00532999096924533 0.0031899508354129146 -0.00237797421366542 0.0031899508354129146 -0.011669056093618915 -0.0010875985502334451 -0.00237797421366542 -0.0010875985502334451 -0.004083614556011377" free_energy=-226.05726187 pbc="T T T" config_type=melt 
Li       5.35653996       8.40568995       3.33385002      -0.45064747      -0.52005709      -1.42333296
Li       8.89894003       7.33385004       8.46634998       0.06637501       0.07439394      -0.26873096
Li       7.20528995       6.53080003       5.15631001      -0.03978328       0.25999285       0.13944351
Li       6.28699997       0.71993604       9.32989000       1.98199513       0.34763248      -0.75862095
Li       1.34064002       1.26999002       6.79750998       0.13821082      -0.22455361      -0.05899332
Li       4.32965000       8.04592995       6.32397995       0.27897199      -0.57387140       0.56616322
Li       7.33637998       3.74508006      11.17110004       0.50913145       0.06805210       0.64168965
Li       7.67648997       6.99781995       1.05501001      -1.27592565      -0.26403151       1.10037249
Li       1.96995001       6.01942000       0.08447799       0.20412125      -0.26762132       1.66105326
Li       0.50379595       5.14959996       7.74691998      -0.03585448      -0.29057454       0.04278609
Li       6.39780006       0.13511995       2.24323999       0.02808965      -0.44824914      -0.20614473
Li       8.90313000       1.70494997       3.43014998       0.32039650       0.63102013       0.32336618
Li       3.85300995      10.82550003       8.28116999       0.33892641       0.14915066       0.56760106
Li       0.74562302       2.52672997       9.50054005      -0.04199925       0.13041663       0.02707655
Li       5.05476996       3.31575996       6.53881999       0.20028269      -0.36670618       0.10994923
Li       4.82135000       4.52941004       2.16735001      -0.90246343       1.57727802       0.44261768
Li       1.12028005      10.99227206       1.83763995      -0.20241356       0.62755618      -0.38100724
Li      10.68399998       4.17473995       1.10192001      -0.16705948       0.04958205      -0.11623738
Li       4.10618998       2.12352000       0.37344101       0.69372433      -1.02690071      -0.05029384
Li      10.62630003       8.12073002       1.38857997      -0.06664418       0.12495113      -0.12035109
Li       2.05375997       3.35083000       4.76108996       0.14508802      -0.05794361       0.08424246
Li       7.99843000       9.99098000       6.38983995      -1.28942901       1.50100459      -0.00794308
Li      10.61949999       6.08280004       4.23345002      -0.03023773      -0.46450725       0.25145367
Li       1.21791995       8.54938003       8.91129004      -0.83308119       0.08834209       0.02504785
Li       8.81131005       3.11755999       7.87615004       0.25627766      -0.05121628       0.23530614
Li       3.09816002      11.05223208       4.27249999       0.04316093       0.82852206       0.16951806
Li      10.78910003      10.33450005       4.61048004      -0.03190060      -0.02880195       0.33625383
Li       8.07642001       9.86291001      10.89620002      -0.42215632      -1.34804454       0.96156704
Li       4.37638001       4.99767005       9.33093004      -0.09443804      -0.01898541      -0.23149470
Li       2.32455005       7.22633997       3.27342994      -0.14899754       1.39462006      -0.88491634
Li       3.16423004       8.99954998       0.23062096       0.13284917      -0.02390691      -0.19012413
Li      10.95239998       0.06831989      10.10580004      -0.68679324      -0.22412594      -0.06184573
Cl       3.76005997       6.99113995       1.32876005      -0.19075395       0.22342015      -0.17893603
Cl      10.70530004       1.38189997       8.14020004       0.24393745      -0.56007340      -0.80503116
Cl       2.45219002       5.63870995       4.45729995       0.17139352      -1.72656480       1.22473460
Cl       5.38774000       5.52992000       7.31635005      -0.37422753       1.25166621      -1.17598929
Cl       0.61524905       9.27845998       3.16764995      -0.27658277      -0.34292836      -0.06842098
Cl       1.38570003       1.21852996       3.92944998      -0.68725652      -0.17356425      -0.32354917
Cl       3.21877995       8.69355998       9.21610003       2.67398788      -0.09810301       0.84918659
Cl       6.42115004       3.72457997       9.29728994      -0.07969968      -0.69727133       0.63087500
Cl       4.41142001      10.24589997       2.32735995       0.29229712       1.45775074      -1.61250648
Cl       6.75955003       6.08981997       2.93061002      -0.37135013      -0.17932553       0.35219575
Cl       6.20732001       8.85986002       5.09353998       2.17724003      -0.01201913       2.05586912
Cl       8.96380997       6.21126005      11.28019998       0.78007490      -0.44824346      -1.36013835
Cl       2.02007001      10.55890003       7.38601997      -1.91209431       0.35385589      -0.85559726
Cl       9.24215994       8.48643001       6.29859001       1.18159967       0.24266568      -0.21319000
Cl       8.77501999       0.15242104      11.34596012       0.83390714       2.92572184       1.23409831
Cl       8.79757000      11.03940000       3.95464996      -0.41580499       0.36139513      -0.09405625
Cl       1.66043004       6.06018996       9.56250001      -0.33747194      -0.20181244      -1.43204046
Cl       0.68946501       1.26103997      11.42409997       0.75511973      -0.03450289       0.75430826
Cl       8.02590002      10.12489999       8.97786999      -0.80276121      -0.43247317      -3.11502799
Cl      10.03160001       5.94475005       6.56278996       0.78538981      -2.15612520       0.68307098
Cl       7.26865004       2.21474999       6.53653000      -0.12057529      -0.23272193      -0.22335534
Cl       3.49064996       9.00531995       4.64637997      -2.20528833      -1.35755188       0.60083129
Cl       3.84086996       1.31009001       5.83704004       0.98800028      -0.17059452      -0.17533135
Cl       9.67417999       3.92197000       3.64662998      -0.03805315      -0.55893571      -0.44894008
Cl       0.07059807       6.12496005       2.13029998       0.35107713       0.20149735      -0.53439125
Cl       5.90040002       2.96552002       1.54698996       2.04240056      -1.90178370      -0.20128458
Cl      10.39039999       3.79623998      10.00350003      -0.09691766       0.37035907       0.21346674
Cl       4.62389004       0.63719799      10.42029998      -1.13042999      -0.93417924      -0.13671113
Cl       2.31178996       3.37517004       7.37724005      -0.88687556       0.54939082       0.49834882
Cl       7.70295996       9.01091005       1.28987997      -0.26592956       0.54472138       1.11624921
Cl       3.05310001       3.70241001       0.81031985      -1.76980031       2.02225133       0.08544163
Cl       0.52751991       9.19391000      11.27170002       0.06767113       0.06166076      -0.26965068
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.75860672 stress="-0.010060414926009635 -0.0010570306594252857 0.00021675427383692353 -0.0010570306594252857 -0.005619594102867589 0.006084099607652944 0.00021675427383692353 0.006084099607652944 -0.0265455590712362" free_energy=-223.75860672 pbc="T T T" config_type=melt 
Li       6.65838005       0.66254998       4.92180999      -2.99941291       0.83826947      -0.83680735
Li       6.73075003       8.17658996       5.65835995      -0.03055273       0.06444806      -1.85310702
Li       3.16385997       9.05647999       5.09392002      -0.11595823      -0.94915048       0.44690176
Li       2.95000002       4.23782995       0.53431398      -0.12436174       0.34365442      -0.02379816
Li       5.68622996       3.60040004      10.19749995       0.51301648       0.23026546      -0.44894733
Li       6.60876001      10.02690000       1.53643995       0.20157298      -0.25360437      -0.54124289
Li       9.91062996       1.80879995       4.34583997      -0.11990637      -0.15485785       0.07422881
Li       6.54922004       4.73254997       4.63627994       0.20502735       0.69254041      -0.26734915
Li       5.80329998       6.61870997       1.93332003      -0.63069919      -0.09049144      -0.12405243
Li       5.25268998       6.17060004       7.94985000       2.47180091       0.46776789      -1.05957706
Li       0.79703699       4.99975999       8.34254000       0.15607370       0.25401005      -0.35958505
Li       1.31897001       7.14979997       1.43433002      -0.21338785       0.61893179       0.07763139
Li       1.05914999       1.17302995       9.47797995      -1.77783981       0.35183355       0.25311029
Li       9.68037998       4.53694001      10.79579998      -0.46875691       0.18258684      -0.26826508
Li      10.53090002       6.23599997       5.08456001       0.35919746       0.26207474       0.90029270
Li       0.23570996       2.11758999       1.59924999      -0.20152207      -0.28364157       0.17638100
Li      10.14939996      11.28480002       6.93140004      -0.41065183       0.11121499       0.09850242
Li       4.23553996       2.53912996       3.13351998       0.29588766      -0.16846847       0.31846247
Li       7.89410998       2.71599996       2.24993994      -0.60633131       1.57133941      -2.02958005
Li      11.08810003       9.18735999       4.49033003       1.41757883       0.21592722      -1.28294020
Li       3.56903996       8.22433995      10.46650000       0.57999989       0.06930295       0.21745675
Li       0.63743805       8.24859997       7.71182999      -0.42596156       0.29462693       0.00016872
Li       8.70911998       8.13314997       8.17232995       0.84915509      -0.19356832      -0.16277729
Li       2.78154996      11.10619995       1.09559998       0.68616596      -1.16936084       2.69258072
Li       9.41342998       6.31208003       2.38050995      -0.51858985       0.19448778      -0.08013060
Li       1.59384997       1.87925001       6.21181000      -1.26354157       0.61021792      -2.29227594
Li       7.09738998      10.75609998       8.12117002      -0.00467240      -0.53313179       0.81717472
Li       3.74654003      10.98749994       8.18607000      -0.38268500       0.42730130      -0.24558562
Li       8.27025003       2.85530002       7.06221000      -0.84484525       0.83023885      -0.41123741
Li       2.48016000       5.42320005       4.89960001      -0.22366797       0.24721561       0.40073206
Li       8.28988995       0.69132498      11.37859996      -0.15743118       0.53753660      -0.07072159
Li      10.12410002       9.18970994      10.67110003      -0.20577973       0.37506602      -0.91970406
Cl       8.92178995       4.84165003       5.15386995      -0.38116352      -0.39366478       0.14781545
Cl       3.57173005       5.57388999       8.59128002      -1.98276890      -1.22605470       0.15605117
Cl       1.41874995       7.39061004       5.90572002       0.29845904       0.04283724       0.31877630
Cl       7.23103001       4.75637000       8.74565997      -0.18266644      -0.19982948       0.27616779
Cl       9.73559998       1.86708997       8.19345002       0.63581052      -0.30924192       0.47843203
Cl       0.63041400       3.92205002       6.10277002       0.40931891       0.26730738      -0.12677480
Cl       4.44748996       4.48171004       2.26366005       0.94583106       1.04969692      -0.63369357
Cl       2.31481997       1.39851996       7.89238002       2.17950017      -0.62835451       1.28833437
Cl       2.41364000       2.42103997       1.77673998      -0.45118301      -0.92093919       0.70683549
Cl       9.86585002       8.83683000       6.00861996      -1.67729822      -0.94786753       0.32597379
Cl       6.72065000      10.73869996       3.48329998      -0.55737727      -1.29938988      -1.05809186
Cl       5.65512003       3.18991003       5.79392002      -1.39440985      -0.47060258       0.83448446
Cl      10.65339998       6.96153000       8.77777004      -0.03508079      -1.67183567       0.59980844
Cl       2.32853997       0.35809195      10.85970004       0.11349538      -0.45503337      -1.61831978
Cl       8.18725002       4.66162002       1.04935995      -0.04849699       0.47210684       0.03322099
Cl       7.62059003       2.08860003       4.02330999       1.13929107       1.37563084       0.95881458
Cl       2.42198004       6.54439002      11.01469998      -0.96671071      -0.46680318       1.36512677
Cl       9.44862005       1.52148996       1.76574000       1.65626134      -1.49170568      -0.39883868
Cl       2.46972005       9.34660997       3.24084995      -0.77564873       0.79292230      -1.99004036
Cl       7.98124998      10.12529998      10.65140004      -0.33699599      -0.10254908      -0.23107524
Cl      10.65590000       8.35351005       0.96588704       0.14591816      -0.12064685       0.36317612
Cl      10.74910001       9.95097001       8.60562000       0.70319054       0.94401247       0.99469276
Cl       4.48875002       9.56321000       6.61122998      -1.04686904       1.60021608       0.54559528
Cl       0.25268500       0.12712798       5.37565000      -0.10927867       0.51040355      -0.81737367
Cl       0.01772733       6.73516000       3.22995006       0.24126087      -0.88772706       0.10507032
Cl       7.17022003       7.23754000       3.43642002       1.15103405       0.10555489       0.11019201
Cl      11.27289998       3.10770999      11.25829999       0.62819801       0.66225222      -1.36361918
Cl       5.79894000       1.63588994      11.23310002       0.39725294      -0.10237190       0.08638734
Cl       7.70101000      11.42900003       6.25309998       2.44253542      -1.11206252       3.10736089
Cl       4.99188002       8.75992004       0.75353796      -0.43061658      -0.31500981      -0.50056511
Cl       4.40434002       6.50024005       4.68986995       0.22228347       0.10642412       0.57393689
Cl       6.60483005       8.30190004       7.68783995       1.05800293      -0.80225826       2.16619946
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.84620947 stress="-0.010842589302873443 -0.004990858071569734 0.003408688486087788 -0.004990858071569734 -0.011535946998634422 -0.0030544549998217027 0.003408688486087788 -0.0030544549998217027 -0.012675886376284341" free_energy=-225.84620947 pbc="T T T" config_type=melt 
Li       7.22386999       3.22821998       4.24070003       1.54728147       0.90197281      -1.38227700
Li      11.29612409       6.70314004       4.40684003      -0.22338124      -0.42773858      -0.17745249
Li       9.85208005       1.37923005       7.34194004       0.59723662      -0.44849215      -1.03487453
Li       9.19128995       5.44151000       1.15943997      -0.14557086       0.20488463      -0.04874547
Li       0.10109397       4.18038003       9.96545994       1.27932277      -0.73861241      -3.88016325
Li       5.99616001       9.86339999       4.80520003      -0.94137832      -0.58527898      -0.35962737
Li       6.81003998       1.95839998       9.81060996       0.35315538      -0.09681939       0.05591258
Li       4.33407006      10.81299996       7.30348999       0.39080763       1.39754591       0.31273084
Li       4.08437998       1.76293996       3.34511998      -0.77356077      -0.02297610      -0.26094496
Li      11.01450004       0.82268304      10.91269998       0.67481016      -0.19211630      -0.60131869
Li       1.81024995       2.72192000       5.96298995      -0.05473790       0.17005183      -0.16622092
Li      10.21440002       4.64796996       7.13460005      -3.11342729      -0.19778250       1.03594064
Li       5.31576003       4.58882998       0.45402504       0.30307415       0.88613077       0.54689040
Li       2.48539998       6.49234999       0.19891993       0.25785583       0.07209080       0.42576296
Li       1.51783996       3.06422999       1.92023000       0.24553891       1.82024333      -4.57807086
Li       6.97424997       6.58911000       2.79384001       0.11587224       0.16177815       0.21076337
Li       7.62590005       9.84450996       9.04819005       0.64807562      -0.01506077      -0.08059090
Li       2.07533002       5.50540995       7.28357000       2.16539012       0.95437913       0.99326169
Li      10.41669997       8.30905994       0.29887802      -0.25414106       0.12798266       0.05239624
Li       6.27174995       6.28791000       6.10941001      -0.13217328       0.05548111      -0.13030141
Li       0.52002101       8.85130996       8.58359002      -0.20808711       0.15706179       0.20476602
Li       9.93733004       9.51650005       5.83697997      -0.24045189       0.17761594       0.32788837
Li       2.20724995      10.01459998       4.78565000      -1.32518533      -1.88592243       0.24203717
Li       4.12799997       8.00980005       8.79241004      -0.24373402      -0.29483926      -0.30586060
Li       5.72403996       8.79645005       0.36133794      -0.27381403      -0.68899457      -0.00096585
Li       7.97318004       6.08827000       9.13183998      -0.43790714       0.88477161       0.22359686
Li       7.40578003       0.50834097       1.52284996       0.60253912       0.48830880       0.22449592
Li       3.45871002       5.99062998       3.39297006       0.16574299       0.42257108      -0.29775610
Li       6.09548997       2.57775003       6.72035996       0.25149392       0.33466478      -0.33935075
Li       2.41295994      10.07080006       0.06645809      -2.24816915       1.27657995       2.94467255
Li      10.85629997       1.27933994       2.90428001       0.02266790      -0.05978410       0.44241278
Li       3.62578998       2.73219004       9.75879004       0.05563416      -0.50739871       0.42574315
Cl       9.72067005       0.76968998       1.07386003      -1.14771145       0.23636703       1.06262213
Cl       8.73691995       4.11813002       8.96616003       0.88952299      -0.51512900       0.00168286
Cl       7.52731997       4.35708001       5.87864002       0.66410981       0.70073562       1.21302346
Cl       9.17676001       7.80604001       8.39674002       0.67113735       0.55946646      -1.08504687
Cl       0.46012301       4.94481995       6.36032997      -0.19566155      -0.00457878      -2.75179478
Cl       5.25558001       1.30081999       8.28337996      -0.62650772      -0.21768677      -0.16983749
Cl       6.96677996       4.25679003       2.25891006       0.94088910       0.07228310      -0.14144826
Cl      11.34719998      10.63659999       7.30675995       0.20159129       0.12809107       0.19450731
Cl       5.81288996       1.96649995       4.54142002      -0.92922602      -1.66910071       0.19206979
Cl       7.26865004       7.93050999       4.79628002      -0.37002826      -1.33118526      -0.93121736
Cl       3.47004005      11.43209997       4.62966001       1.64014631       1.67073792      -0.19627092
Cl       0.98842501       8.27057997       5.12550996      -0.61109833      -0.09687909       0.35281533
Cl       3.58411996       9.58066998      10.22879996       3.17053473      -0.65583802      -2.42739080
Cl       8.18933996       7.67661998      11.23245114      -0.03548785      -0.39714965       0.67586821
Cl      10.23330003       1.30135996       5.13772996      -0.23146468       0.50594816      -0.34095122
Cl       1.76957996       1.32429998       0.23262801      -0.00169531       0.19396335      -0.14598108
Cl       7.50827998      10.58489999       5.92536005       0.95002912       1.29107736       1.30917182
Cl       3.92529006       4.89897005       5.32277995      -0.32631010       0.06188035       0.08689118
Cl       0.30319696      10.10760005      10.94049995      -0.81242747      -1.15448441      -0.28865085
Cl       2.13174001       3.51793002       8.40888000      -0.34020095      -0.43123211       0.06409594
Cl       5.73230995       6.48328999       8.28235998      -0.03390172      -0.11557783       0.51268909
Cl       1.42971003       2.26750001       3.52755004       0.16102755      -1.34457874       4.01048131
Cl       6.57854005      10.71740001       0.08491994      -0.03003800       0.26480978      -0.54700257
Cl       3.10634998       4.27941995       0.77673203      -1.10099933       1.18647918       0.68041224
Cl       3.18310001       8.13051995       2.35355995      -1.34922656       0.53591270       0.23805730
Cl       5.32751000       6.71083004       1.22673999       0.66809358      -0.13613386      -0.64365906
Cl      11.07246814       4.55297005       0.19040197      -1.06846551       0.72585160       4.11271386
Cl      10.20259995       7.16486002       2.52315999      -0.17486779      -0.24755135      -0.23988929
Cl       1.78962995       7.01952998       9.55828999      -0.22326273      -0.52129914      -0.56116028
Cl       8.66111996       0.88032797       8.89662998      -0.63125997      -0.73988150       1.34287130
Cl       3.69325005       9.01202002       6.73020995      -0.00560204      -1.33745350      -0.16115039
Cl       5.23009996       2.63670004      11.28789996       1.22758188      -1.55016279      -0.44327230
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.70004263 stress="-0.0073635644452914 -0.0020636513834218096 -0.0026240557473000423 -0.0020636513834218096 -0.0229700284426969 0.00025345080856144274 -0.0026240557473000423 0.00025345080856144274 -0.024852488285666042" free_energy=-221.70004263 pbc="T T T" config_type=melt 
Li       7.96154999       3.90995005       1.42400001       0.16456514       0.53030293       0.52250427
Li       5.56377998       6.79838997       0.34199002      -0.03978401       1.07104484       0.09139257
Li      10.21899995       1.55062998       4.59531005       0.21616207      -0.10569701      -0.33777408
Li       9.21030999       3.64513996       5.94447995       0.02222390      -0.25685036      -0.98487499
Li       0.87637795       5.25489995       5.22807995       0.65131617       0.22620552      -0.40611991
Li       3.39338002      10.21510003       6.33521999       0.14665927       0.20816262      -0.63494869
Li       3.91314996       3.92843998       1.13521996       0.39372360      -0.01340346      -0.02328053
Li       7.58902004       9.31639001      10.36099996       0.55920433       1.10532149       0.19996579
Li       0.15330895      10.55930002       8.92582996      -0.23669722      -0.35296880       0.28309056
Li       2.70847996       0.70951501       9.44151999      -0.72416281      -0.80099615      -0.08125991
Li       1.47997998       8.55383000       0.49718703       0.97931309       0.20739871      -3.05406835
Li       6.88446001       4.81308001       9.08144999       0.83182000      -0.30451718       0.70885367
Li       2.50135998       4.45023004       9.84774999       0.24828454      -0.06484663      -0.27159997
Li      10.76280005       8.97259001       3.86007997       0.42249340      -1.33441970       0.33267324
Li       3.27018005       8.00943995       3.20562996      -1.01147975      -3.16930079       1.75430742
Li       9.33231997       0.05360640       2.25194998      -0.90320895       1.07451322      -2.97947807
Li       6.30306005       1.41859002      11.31439999      -0.38865836      -0.29605374      -0.49861616
Li       1.25653004       1.58175997       6.51684995       0.93268816       0.78968029      -1.21910566
Li       8.76245995       7.66347996       1.62021002      -1.49818731       3.77558882       1.78416637
Li       3.04900004       7.71432003       8.52108997      -0.36261564       0.06582721       0.23222731
Li       9.68797003       2.41673995       9.06354004       1.81021322      -0.11518055      -0.94268699
Li       6.98756997       1.14521004       7.98862999       1.00335048       0.54705381       1.54354314
Li       8.20686001      10.73579995       6.34235994       0.60391514      -0.45058887      -0.15468798
Li       6.41392995       8.43305003       7.20663998       2.41194290      -0.68699792       4.19130999
Li       2.31598004      11.02180004       2.65522999      -0.45197797       0.18445782      -0.24063408
Li       6.23810000       5.99256997       5.02632995      -0.01161769       0.15988908      -0.13892360
Li       0.59932195       5.38799004       1.44278997       0.21237262       0.16707678      -0.24861544
Li       6.11552999       9.75682999       2.95808004       0.13332041       0.44469257      -0.10372412
Li       6.53670001       1.64583005       4.66193001       1.25997746       0.59759291      -2.00416927
Li      10.23899996       6.70935998       7.90007003       0.10156726       0.30914769      -0.56570638
Li       1.39710997       2.66088004       2.63081004       0.36837174       1.78694478       1.33409485
Li       4.14434998       2.91206001       6.00281995       0.11164856       0.17009473       0.31502883
Cl       7.14948000       0.91486102       2.70894003      -0.70416899      -0.67412065      -1.23452920
Cl       8.92045998       3.29449005       3.66630005       0.42856115       0.47728673      -0.73239717
Cl       5.90855995       3.61061001       4.83110002      -0.63329735       1.70703948      -0.25419325
Cl       9.33520003       6.04572995       1.09818999       1.85078860      -4.50495850      -1.39551391
Cl       9.11763998       4.49077003       7.84102005       0.59771444       1.42420952       0.58429743
Cl       5.43828005       8.49707998       5.70242005      -2.80742688       0.78581250      -2.91254425
Cl       8.80605001       1.38462995       6.28764002       0.86057141       0.41952884       0.67074046
Cl       2.71493000       3.77754999       7.50821005      -0.28272680      -0.39185273       0.10602911
Cl       6.00851999       0.91050998       6.33794998      -3.55961665      -2.27673334       0.48406935
Cl       5.93835000       4.75184998       0.38613896       0.33134122      -1.27130045       0.08988873
Cl       0.40733997       3.29517998       5.13657001      -0.55065328      -1.45195212      -0.43365196
Cl       2.62362996       4.98094997       2.67588002       0.10165956       1.08557667       2.17137915
Cl       7.04351004       7.46444000       9.82195995      -0.29092693      -0.99725023      -0.12416812
Cl       8.76499998       7.83608995       4.50212998      -0.04160375      -0.47669845       0.05592265
Cl       1.97734997       0.23734499       4.87602005       0.64175448      -0.24929064      -0.05544806
Cl       2.37894004       6.82690003      10.75909995       0.35966476      -0.49131773      -0.64451769
Cl       1.13508995       1.15894001       1.45984996      -0.92443812      -2.85923386      -0.39405337
Cl       2.06971997      10.02809997       7.99407999       1.56445071      -0.78507334      -3.39084466
Cl       0.82235001       7.03325994       6.17379995      -0.20281742       0.98800920       0.87122523
Cl       1.85365005      10.07039995      10.49370004      -0.51944099       0.75668142       2.98717242
Cl       7.77873003       2.48692003       9.60814998      -1.64369323       0.32454478       1.66159680
Cl       0.97639898       8.49424005       2.27808005      -1.70960862      -0.60552033       3.62652599
Cl       0.21473502       1.13771000       8.11354995      -1.17303262       0.57273116       2.06020326
Cl       5.75795004       7.63458000       2.80133995       1.20103917      -2.41815472      -0.50416710
Cl       4.00918004       1.92740996      10.51619995       1.43558413       0.24278296       0.37228211
Cl       1.93152002       3.64899001       0.39571095      -1.68012174       0.48123393      -1.89037180
Cl       9.90899997       9.66986002       7.73627998      -0.75003736      -0.64952636       0.02428651
Cl       5.42942000       5.61068001       7.92268000      -1.00272806       0.63584918      -1.24043730
Cl       6.63562001      11.04529998       9.42288996      -0.44294394      -0.61508583       0.14688198
Cl       9.74504999      10.73040005       3.87893000       0.65435776       0.40399827       3.00854281
Cl       3.82413005       9.43877005       2.20885999       0.81315793       4.70604883      -2.29217537
Cl       8.63651005       9.74570999       0.79172204       0.12189362       0.23756114       0.17508538
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.60279866 stress="-0.01442139712940193 0.0003187973119623742 0.0025081400001914196 0.0003187973119623742 -0.014899130457964552 -0.002486702719460878 0.0025081400001914196 -0.002486702719460878 -0.032776859297683744" free_energy=-220.60279866 pbc="T T T" config_type=melt 
Li       9.02100997       2.08272001      11.31130005      -0.17302811       0.20663141       0.14002813
Li       9.43874002       5.08784005       0.96662201      -0.42224024       0.46134460       0.36617183
Li       8.12182005       8.27886005       7.32973998      -0.16757283      -0.38898283       0.11756539
Li       8.50269003       7.81224000       3.52032995      -0.53151773       0.92865019      -0.27674285
Li       0.12186404       1.48838994       7.38957000      -1.11585116       0.30035311      -1.60561998
Li       3.68156003      11.34230004       6.87581995       0.22990845       0.43669718       0.53241209
Li       0.75398701       6.56087004       8.08149995       0.33958019      -0.06641290       0.05656628
Li       0.03161986       8.58346001       1.32974999       0.07872360      -0.72600006       0.43386488
Li       1.56095001      10.65940004       3.32770001      -0.42216280      -0.24879418      -0.04990404
Li       5.60747999       0.72411500       0.18083801      -0.96172016      -0.10960071      -4.84014441
Li       2.98478998       8.31343999       5.17306001       0.38397992      -0.89309587      -2.35868608
Li       8.94125996       5.57899996       9.26358003       0.20518634      -0.65983659      -0.32314027
Li       1.10756995       4.98497004      11.28279996       1.04915364      -1.75008413      -0.11378486
Li       9.38876000      10.98879999       6.17911994      -1.80843687       0.35264157      -1.02402737
Li       3.93898998       5.99532002       3.86291004       0.22134449       0.76272297      -1.06768000
Li       2.25146997       1.47175997      10.81680002      -0.28491277       0.33870765      -1.41229962
Li       4.04239997       8.06230003       8.43750998       1.52503637       3.27298520      -1.36263954
Li       7.19705000       0.48079402       8.65872003      -2.05723873       2.57786552       0.49011602
Li       7.91072998       0.07786986       2.35691005       0.71845907       1.03749072      -1.58457095
Li       0.95624397       9.76822996       8.32410005       1.05134463       0.70895466       0.34859936
Li       4.96030005       4.54790995       9.47740995       0.08396242       0.17669526      -0.03450291
Li       7.36335004       2.54466996       5.43989995       0.59195663      -0.79797820      -0.89781644
Li      11.11440001       7.38573004       5.46815000       0.53526089       0.40693755      -0.69937697
Li       3.34942998       6.88543000       0.49575800      -0.04287909      -0.09981095      -0.68785883
Li       3.05950006       2.31453004       2.90591997      -0.18305833       0.00679136      -0.13313450
Li       5.78738996      11.13419996       4.87911002      -2.03589205      -0.19689330      -2.05212380
Li       2.17122001       3.84954005       6.60347004       0.73491301       0.40582242       0.10484880
Li       4.51887001      10.53310002       2.21738999      -0.57383591      -0.41531561       0.05577655
Li       6.14806997       3.84194004       2.09248998      -0.45393385       0.59578534      -0.52979969
Li       6.36923004       5.42537998       5.99747003       0.49135992      -0.55799698      -1.44528861
Li       8.81287997       9.48050003      10.02659998      -0.08336784      -0.34531756       0.72608044
Li      10.51869996       1.93287006       3.83936000       1.15713384       0.01814550      -1.42089162
Cl       3.25841999       0.78035497       1.00621000       0.02847651      -0.29089184       0.12027691
Cl      11.06690005       8.77963001       3.72627004       1.04088449       1.33196228       0.41453096
Cl      10.01719996       6.58333005       7.03139998       0.84919190      -1.02098746       1.65503253
Cl       3.92416002      10.73600000       9.45796997       0.28352722      -0.10454675      -0.12899750
Cl       6.62888005       3.69608998      11.01579998       0.66689172      -0.30443722       0.25880633
Cl       9.73901003       1.55252995       5.62803005      -0.88160335       0.50830302       1.37262965
Cl       9.57722004       7.14147002       1.96974996       0.24524141      -1.38563283      -2.28033842
Cl       0.69844602       0.86411404       9.10860005       0.34154988      -0.99725440       2.56126557
Cl       0.73147805       1.05474002       2.45997003      -0.69010870       0.37406158       0.53958095
Cl      10.55759998       4.14512003      10.81519995      -0.62395673      -0.61655916      -0.46706472
Cl       3.87616997       4.92277001       1.22985002      -0.85781963      -0.62458178      -0.19130583
Cl       3.07085004       8.48107000       1.90549003      -0.08161222       0.70150824       0.70268304
Cl      10.70809996      10.05689996       7.21142001       2.56594540      -1.74570237      -0.07611081
Cl       5.92616003       6.32268002       7.67353998      -0.42702432       0.63796261       1.12707815
Cl       6.88063999       2.95563998       7.31877004      -0.11157577       1.09563022       1.25951669
Cl       0.82976304       6.93349995      11.23132305      -0.37134382       2.17297889      -0.23076365
Cl       3.40495997       6.48680001       9.12913005      -2.42145956      -2.15694391       1.85993182
Cl       2.89669994       3.52255998       9.49317001      -0.56547723      -0.66311282      -0.06104762
Cl       7.24544004      10.42230004       3.80199998       1.52823625      -2.52700046       0.52648321
Cl       8.94375998       2.11921998       2.30958997      -0.29974252       0.80767605      -0.31588229
Cl       2.69513004       9.36509004       6.69822002      -1.19685851       0.38480671       4.26214754
Cl       6.17146994       6.14539994       2.97487005       0.18252745      -0.38348413      -0.02373946
Cl       4.03021997       4.03355998       4.35097998       0.09028047      -2.03020082       0.87684496
Cl       7.92396996       0.01133531      11.07149998       0.16636035       0.20009791       0.50562043
Cl       2.00657999       6.43308000       5.75940004      -0.49691046      -0.80395501      -0.02867198
Cl       1.64979004       1.86732005       5.99497999       0.59147162      -0.08412124      -0.66354606
Cl       7.74717999       7.28880998       5.27589999      -0.45293757       0.16205725       1.40146002
Cl       5.86602002       0.84305805       1.94322998       1.31956059       1.32022166       5.06527803
Cl       6.15259997       0.03916829       6.64217001      -0.63025627       0.76498125       2.32959723
Cl       3.44588000      10.61570004       4.45542003       1.20895561       0.97942247      -1.52535412
Cl       8.03228001       7.40626004       9.65055004       0.14708311       0.82006548       0.82961022
Cl       8.25994995      10.46259997       8.29728005       0.77284776      -2.26142574      -1.12754822
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.57688399 stress="-0.015147425199527666 0.0012948378056871967 0.003443868496373955 0.0012948378056871967 -0.011663645816195398 0.0015662433201322121 0.003443868496373955 0.0015662433201322121 -0.014640076940011732" free_energy=-222.57688399 pbc="T T T" config_type=melt 
Li       9.85777000       1.12196003       8.55619004      -0.09555187       0.19014511       0.24163002
Li       0.01331989       4.55558998      10.54720005      -3.33412713      -9.34531929       4.79043678
Li       7.73473998       9.59905995       7.36503999      -0.14679813      -0.11346237       0.32875434
Li       7.28804004       6.44706998       1.13396003       0.09049782       0.44363879      -0.53516837
Li       0.03682453       3.76228003       6.87616996      -0.03139450      -0.06651272      -0.09424655
Li       7.29477003       2.99093002      11.16310004       0.35487940      -0.42462876      -0.65067919
Li      10.24799999       7.75532994      10.61860004      -0.17373971       0.26816329      -0.26651106
Li       9.96227998      10.10700001       1.69895999       0.23818371      -0.09691342       0.01245983
Li       0.74527003       7.01889004       2.75981999       0.50079966      -0.29944603       0.15488762
Li       7.00585997       2.12554001       2.49753996      -3.13393092       1.09958525      -0.83236409
Li       3.15867995       8.91969003       6.58641005       0.24561323       0.65273724      -0.00573048
Li       8.66268999       6.12771996       8.46252997       0.58744090      -0.86364397      -1.29391021
Li       2.76941995       2.66560998       8.76741998       1.31835003      -0.33411585       0.10060801
Li       9.33085999       0.13959297       4.50893999       0.84164096       0.40923326       0.20548415
Li       3.06097998       4.00975004       3.39360002      -1.26633573      -0.04065296       0.00913797
Li       3.91370001       0.91307603       0.98526694      -0.07541377       0.32604602       1.24954338
Li       5.67631003       7.32595998       9.47967002       0.77075871      -1.19472282      -1.02058290
Li       5.44971005       0.60915796       8.22344000      -0.17184274      -0.24939443      -0.19537745
Li       6.46600003      10.25539996       3.56244995      -0.41021049       0.52054701       0.41797048
Li       1.44021005      10.82780000       8.99744995      -0.01684911       1.15133678       0.31366755
Li       4.05862995       5.80654001       6.67910999       0.10052577      -0.25757978      -0.18680595
Li       7.60477001       3.74142994       5.86151995       0.98175678      -1.67861259      -0.13974989
Li      11.36610000       8.70479004       6.36656998       0.58571876       0.29326043      -0.20786681
Li       4.24314995       5.10763004       0.89226996       0.99081559      -0.16667363      -0.50098448
Li       1.96586001      10.58719995       2.41624996      -3.16943817       0.69153047      -1.22044635
Li       3.67260999       8.25746002       3.79912004      -0.85251463      -0.27697054      -1.50976733
Li       2.56360001       6.98443002      10.06119998      -0.67477998       0.07689667      -0.43131951
Li       4.50730003       9.28456998       0.71132499      -1.34943257       0.04250195      -1.35555786
Li       1.55485995       0.56368902       5.75475999       0.46653301       0.08804854      -0.06481417
Li       7.07538005       7.00845995       4.98203999      -0.32814780       0.59816333       0.08999007
Li       7.61293006      10.92439997      10.84310000       0.27398445      -0.46606443      -0.53902881
Li      11.15520000       3.19866002       2.44820997       0.07798099       0.02398225       0.39798785
Cl       3.87396000       1.15608999      10.42670003      -0.11444591       0.25618388      -0.63632414
Cl       1.78077001       9.21413001       0.54095501      -0.23655603      -0.04242615      -0.13574458
Cl      11.45649997      10.53530001       3.61615998      -0.66398737      -0.08143092      -0.25298639
Cl       5.57151998       9.26714003       9.01276004       0.57489425       2.10951286      -0.75481411
Cl       9.26218999       3.67396999       7.63257995      -0.12207810       0.19861978      -0.22108540
Cl       8.58151005       1.95365996       3.45555001       3.33005141       0.10940863       2.05264506
Cl       1.57933998       9.05727997       7.97719999      -0.23575886      -1.20560972       0.59139658
Cl       0.74107296       2.47469005       8.80130999      -0.92259573       0.80324518       0.88780887
Cl       6.46504001       5.32483997       6.18296002      -0.41154516       0.95384586       0.33525783
Cl       0.52509200       5.88489997       9.83408996       3.39494200       9.59413972      -5.08519391
Cl       4.90750005       3.15422000       3.68176994       0.89991800      -0.40755457      -0.03275968
Cl       1.70626996       7.68193998       5.16409998      -1.63032632      -0.03931519      -1.15737728
Cl       1.05399003       4.23568005       4.78938999      -0.29446330      -0.11889099       0.51209582
Cl       8.12224996      10.00769997       5.17609002       0.28167460      -1.43303278      -0.43275508
Cl       7.68659998       6.69034005      10.12580005      -0.02023537      -0.51932016       0.67828678
Cl       8.47752995       8.62084996       0.73812699       0.99390926       0.53195206       0.84803808
Cl       4.27262002       5.38853001       8.81226996      -0.63490017      -1.09114153      -1.00697823
Cl       3.27965998       0.40811989       7.37857002      -1.62382931       0.38029757       0.31870599
Cl       5.66329005       8.64400998       2.18695003       2.42802961      -2.23805867       1.14614609
Cl       1.62306004       2.15019005       2.24612005       0.53649257      -0.76188356      -0.40117389
Cl       4.44706005       7.07129005      11.01142807      -0.36755383       0.55185558       3.10173934
Cl       6.80320004       4.19937004       1.18053997      -0.65867665       1.39397749       1.06519199
Cl       4.48338004       7.64060999       5.46995998       2.92341984      -0.49831491       1.33551783
Cl       7.23207005       1.56433002       9.68799995       0.53564234      -0.87629998      -1.83054805
Cl      10.53799996       4.84808000       1.09691997      -0.43684842       0.25625316       0.29712402
Cl      11.19300003       0.43830499       6.93786005      -0.73458380      -0.69424981      -1.06143973
Cl      10.09469998      10.10939994       9.67162999      -0.34774027       0.70996230       0.38443529
Cl       6.85433004       0.61363706       1.05044000      -0.63838360      -0.92627042       0.58602588
Cl       5.66066003       0.14981991       5.88100005       1.03691236       0.10258330      -0.35893691
Cl       3.66213003      10.22949997       3.08070003       1.71095705       1.87343586       1.39334944
Cl       2.52222004       5.68150003       1.84877005      -0.78929621       0.45120444       0.69157696
Cl       9.76132995       7.74074004       7.38127995      -0.95801139      -0.34378109      -0.11887104
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.27780269 stress="-0.00877952467124154 -0.0018929847312873734 -0.0042910467489952284 -0.0018929847312873734 -0.021809715649546944 -8.035085416220798e-05 -0.0042910467489952284 -8.035085416220798e-05 -0.014571108445174487" free_energy=-224.27780269 pbc="T T T" config_type=melt 
Li       6.34876997       9.14889997       3.01577999       0.03067375      -0.22149521       0.02478697
Li       9.76088995       2.69302004      10.97869996      -0.36679384      -0.75915955       1.13190999
Li      10.79909997       2.90623994       3.88052995      -0.57629065      -0.52001222      -0.68218386
Li       2.45000000       7.66547005       8.86189997      -0.06176268      -0.27491498       0.42634655
Li       1.04871004       1.69930002       0.96642895       0.27457274      -0.13418680       0.90255725
Li       5.08235004       4.91851997      11.28029995       0.08008161      -0.03481657       0.75132790
Li       9.60075999      10.36069994       5.76908002       0.32959688       1.15919553       0.07937698
Li       0.29372804       8.08767002       0.42173200      -0.54307118       0.45090570      -0.76560562
Li       7.90034999       6.19519000       2.28758004       0.10350112      -2.09479287       0.60032736
Li       2.65824005       2.68112000       6.29568003      -1.70260579       1.93045151      -0.98786846
Li       5.76266002       8.24468996       7.25348005       0.54419414      -0.01142310      -0.17168681
Li       8.53412004       5.71086005       5.28060997       0.06554315      -0.28294670      -0.26957294
Li       1.66664998       4.29996004       9.39406005      -0.18811359      -0.16245504       0.39765109
Li       9.30686996       3.13530004       7.57818996       0.01556809       1.02442867      -0.92475636
Li       1.00542000       5.09228005       2.82117005      -0.04674849       0.08293272       0.19853530
Li       4.81699999       0.37439003       1.14412999       2.15811015       1.82055375      -0.64020603
Li       5.53030004       3.97217999       6.83162997      -1.99506487       1.18891872      -2.55334332
Li       7.56946003       0.12810003      10.12389996       0.08617667      -0.27126227      -0.71257741
Li      10.85959996       7.02634996       8.05386002      -0.41250845       0.14074209      -0.01724823
Li       3.88214000      11.26470004       9.58202001       0.01761510       0.29678931      -0.40427947
Li       0.61175898      11.02510003       9.90618996      -0.83876272      -1.33745290       0.28820862
Li       8.07632004       5.06808996       9.55154005      -0.28229413      -1.74660116       0.69879873
Li      11.07699997       7.75228996       4.09958999       0.32822401       0.91067959       0.08614086
Li       7.43420995       1.80072004       2.40357001       0.11631936       0.80727406      -0.05737268
Li       2.29458999      10.04709995       6.70601000       0.14578765       0.18451584      -0.40102134
Li       3.64030995       3.32198002       3.21433995      -0.90776148       0.44220008       1.19989847
Li       3.00536997       6.75025995       5.18551996      -1.33317686      -0.84154800      -0.00538822
Li       3.40627000       8.39903998       1.13251003      -1.26718454       0.73267509       0.99562765
Li       6.57193995       0.62562296       6.74026000      -0.23110487       0.20819069      -0.04635618
Li       1.44739998      10.50870002       3.08756003       1.49617676       0.21026465      -0.08254332
Li       7.95748005       8.47072005      10.73969999       0.08796706       0.04137115      -0.03514287
Li       9.47206003      10.73109994       1.66295998       0.23531786       0.23141176      -0.36334462
Cl       2.43725998       4.66171001       4.79115996       0.20015647       0.44173105      -0.26596427
Cl       1.23469001       2.29177998       3.34590001       1.57305049      -0.50182394      -0.17722732
Cl       3.42287004       0.96152706       6.34471998       1.01831011      -3.17721482      -0.07147746
Cl      10.15299998       6.00883996       3.43443005      -0.68381696      -0.16580270      -0.90551702
Cl       9.56030999      10.49939996      10.27190004      -0.02232228      -0.52888784       0.15916696
Cl       4.60505996       7.89947997       5.39773995       1.31805240       0.98183419      -0.15095131
Cl       4.46236005       7.25539000      11.40409996       1.27028119      -1.21997990      -1.56971647
Cl      10.25679997       3.80235996       9.27352002       0.75511109       1.03220656       0.29319996
Cl       7.18191004       1.34949996       0.29438196       1.02996604       2.06972672      -0.48906484
Cl       6.83082002       3.35899004       7.97344005       1.94946636       0.12533789       2.83634384
Cl       8.68160995       8.57905005       6.05081998      -0.47355432      -1.40924345      -0.18266779
Cl       2.31595001       9.85765994       8.93161999      -0.03739281       0.45294588       0.26688788
Cl       4.45309003       2.86682002       1.46173996       0.67312282      -0.44887332      -1.46886605
Cl       1.90085995       5.29875002       0.87833605       0.28378216      -1.41917478      -0.95630647
Cl       8.06406002       8.06773994       1.74385996      -0.02438724       2.52719997      -0.61329571
Cl       0.99498796       1.47439997      10.31520005       0.77326548       1.82439047      -0.76980058
Cl      10.38810003       1.51263999       1.66224002      -1.98206806       0.90954006       0.00847558
Cl       1.39674999       7.61862998       6.86138000      -0.13114385      -0.12729165      -0.92330117
Cl       3.47639000      10.56829994       1.61244996      -1.04594735      -1.63970308       1.45762291
Cl      10.18659995       4.02321003       5.48355995      -0.36217542      -0.11161141       2.15995132
Cl       1.12008997       7.79431996       2.22432003       1.10036522      -0.10958939       2.20568186
Cl      11.38846646      10.12539995       4.37265997      -0.95622478      -0.09882380       1.49427481
Cl       7.65637005       5.00028001       0.43708795      -0.37173882      -0.45174891      -0.59832092
Cl       6.82659004      11.22220001       2.65219998       0.12199194      -0.71205950       1.38758649
Cl       8.53734001       6.89554000       8.96305998       0.14768762       1.78847800      -0.55205718
Cl       0.54436896       7.04303003       9.96266002       0.08259240      -0.29295604      -0.19456695
Cl       8.60804997       1.35028996       7.10899997       0.53089630      -3.23837366      -1.01798693
Cl       5.58172995      10.70079996      10.66670004      -0.21357411      -0.95887944       0.61065248
Cl       0.62976202      10.60050001       1.24938000      -1.61470293      -0.26471817      -2.27998254
Cl       6.66134001       4.38056000       4.33164995       0.06176427       0.28753574       0.21233874
Cl       3.50376006       3.91444003       7.69463002      -0.28183905       1.22610034       1.92418224
Cl       5.96030994      10.29509996       7.79140998      -0.05115639       0.03929537      -0.49029007
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.45050883 stress="-0.015708541026789646 0.0003882265986938561 -0.004148628131074025 0.0003882265986938561 -0.010680524168088025 0.004711276860494306 -0.004148628131074025 0.004711276860494306 -0.009303397070266376" free_energy=-223.45050883 pbc="T T T" config_type=melt 
Li       7.42509000       8.78838998       2.52496997      -0.46385243       0.91470933       0.76016581
Li       3.34423001      10.06870003       2.88870005       0.34990717      -0.42187589      -0.76169047
Li       5.00446997       1.39629004       3.23968002       0.06441877       0.18341134      -0.17033494
Li       3.76610004       7.97811002       4.97250997       0.24201279      -0.13968924      -0.11700520
Li       3.26382001      10.39049996      10.91980004      -2.29688436      -1.12085698       1.49461223
Li       7.16227998       0.43951986       0.85511802      -0.03885223       0.15807818      -0.42675458
Li       9.33719000      11.41480003       9.53779002      -0.15603970      -0.08378728      -0.23533641
Li       6.51811997       2.30188999       8.25286995       0.02323489       0.39563816      -0.68340213
Li       8.14615000       2.34180001       4.89330005       1.15147115       0.27642226       0.33605236
Li       0.26502102      10.45239997       5.17250995       0.30193264      -2.06834143       1.35051500
Li       6.04461998       5.84585997       7.93064997       0.19524373      -0.07801226       0.14891680
Li       7.66430998       4.43225004       0.64244897      -0.36510409       0.43591123       0.06908787
Li      10.61110000       2.92836004       0.62264500       0.31807636       0.13075832      -0.93454587
Li       1.63072999       5.48538001       8.12262003       0.35556862      -0.10413248       0.52492990
Li      11.00880000       2.07027003       6.38295003       0.14700563      -0.28339347      -0.07529874
Li       8.48463998       7.16482001      10.74060005      -0.15928095       0.97309854       0.65482763
Li       4.37455994       6.79289996      11.41850001      -0.16075085      -0.70555995      -0.60754586
Li       9.49822003       5.09577001       8.02279997       0.76669430       0.07715810      -0.63927373
Li       8.42781005      10.11560005       5.76846003       0.34986303      -0.27276003       0.12682921
Li       4.70721999       2.33217002       0.45933897      -0.33218220      -0.29790050       0.06342072
Li      11.23710208       8.95150995       1.18218005      -2.92650031      -1.27104014       0.22821929
Li       2.70481999       2.48486998       9.26276997       0.26714896       0.05097878      -1.95128296
Li       1.76735004       4.78969998       0.57316505      -0.19384732      -0.73796067      -1.15547628
Li       4.37748999       3.82533002       5.18159001      -0.01931404      -0.77109483       0.03387599
Li       0.81609303       3.20861996       3.79276997       0.94364614      -1.16465555      -2.51305001
Li       2.95572998      11.34099999       7.03926000       0.61256464      -1.99924929       0.00123388
Li       7.04393995       5.84356001       4.57532001       4.40669948       0.42363861      -0.14503401
Li       4.04088004       4.99500999       2.60801997       1.47187073       0.58454699      -0.38539567
Li       0.24701993       8.40931003       8.72928004      -0.11409751       0.95729267       0.58332362
Li      10.26149999       0.24967402       2.35218000      -0.09385938       0.11758229      -0.90723542
Li       5.74674003       9.99758996       9.07165996       0.79434192      -0.36844737       0.11990413
Li      10.84469995       6.35253002       3.50418997      -0.29628209      -0.35999765       0.32456425
Cl       0.21202899       6.85627003       7.43406998      -0.69563645      -1.05972214      -0.97980330
Cl       7.52738004       6.96342998       1.79645005       1.28877596      -2.78038341      -1.07450551
Cl       8.92540005       0.89048601       6.87003003      -0.39082612       0.71805060      -0.32007168
Cl      10.78169995       9.93896003       7.13396000       0.23384425       0.03445473       0.64325922
Cl       6.14177998       2.31103000       4.81979005      -1.50252014      -1.00336125       1.37056679
Cl       6.84832001       7.97623997       8.17889004      -0.30865859       0.70021220       0.02569407
Cl       5.15253000       4.46667005       0.30425099      -1.24772627       2.09341990      -1.98768516
Cl       2.10009997       5.71453997       2.39653002      -1.34910247       1.71970758       0.62291929
Cl       6.90696003       0.79161599       9.73559001       0.59737914      -0.22411685      -0.19506743
Cl       2.98332003       6.89474003       9.50469998      -0.09117872      -0.33711204       0.10457456
Cl       9.83020001       9.02715000      11.08429997      -0.35620676      -0.19903245      -1.03952341
Cl      10.39309995       4.07480995       2.39270004      -0.12065434       0.33686124       0.27710058
Cl       8.15489002       4.53629996       6.14055995       0.31401979       0.07971915       0.17514135
Cl       4.94848003       9.83212005       4.65304003       1.73088529       0.56638861      -0.12497223
Cl      11.29460003       0.55608694       4.16329000      -0.27320783       2.58805663      -0.87928158
Cl       4.90825004      11.11421004       0.16582795       2.05039763       2.03735869       2.69538987
Cl      11.07980001       4.10931995      10.10470005       0.87752674       0.10071097      -0.11981812
Cl       2.15681995       9.52878001       4.60847998      -1.56727019      -0.53877875       0.57451985
Cl       0.21151402       4.03318005       5.37719000      -0.71532191       1.27145144       2.66102574
Cl       4.88786999       3.83382000       7.36592996      -0.13492626       0.28821451       1.25859650
Cl       9.82013999       1.00269999       0.02767202       0.10616302      -0.06867760       0.32949178
Cl       1.46298005       9.62713001       1.14412999       3.54841541       1.59643156      -0.03910382
Cl       6.51763996       3.15756001       2.15310002       1.98224912      -1.73147317      -0.03369231
Cl       5.23060003       5.72525999       4.53210002      -4.40443926       0.73644502      -0.18961827
Cl       2.37847000       1.71029003       6.77324995      -0.96482674       1.82229764       0.04929163
Cl       8.24238002       5.40289005       9.67456003      -1.21064979      -0.92929326       0.51512730
Cl       8.32780003      10.75549994       2.38550999      -0.41364550       0.34213252       0.43722499
Cl       5.00634003       8.30930998       1.18976001      -0.74345669       0.49758079       0.69882487
Cl       9.01874004       8.13384998       4.48058998       0.26169436      -0.10555609       0.05545704
Cl       3.36204000       3.03907002       2.64274000      -0.60171733      -2.11175478       1.15220596
Cl       2.38717999       2.12542995      11.16600004      -0.29424030      -0.09410231       1.34460441
Cl       3.73126995      10.66600003       9.05234001      -0.74999254       0.22340055      -3.11968937
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.15162152 stress="-0.009770870606127871 0.0024088663196651238 -0.0003284539377045939 0.0024088663196651238 -0.01643497628048774 -0.0021461190578870794 -0.0003284539377045939 -0.0021461190578870794 -0.024646310667224038" free_energy=-222.15162152 pbc="T T T" config_type=melt 
Li       1.57921994       2.83243004      10.21880001       0.02264465       0.16904591      -0.01872878
Li       0.98589496      10.00439998       4.23394998      -0.15506671       1.18351740       0.80003507
Li       8.88115996       0.16722303       5.85722004       0.03869126       0.18181744      -0.11368933
Li       0.95115601       6.80541001       8.08938003      -0.05661498      -0.06590859      -0.00601018
Li       6.74466996       9.62862999       2.56966003      -0.29561411      -0.11895925      -0.26448702
Li       0.76405804      11.45029997       8.43434997      -0.22226222      -0.00672030      -0.12129757
Li       9.28540000       4.55236004       2.14326000      -0.11876511      -0.45457117       0.79306538
Li       3.79227001       7.30042994       6.04633996      -0.32786991       0.28796674       0.18049480
Li       7.68915995       7.09460003       0.10767298      -0.98825602       0.08679849      -1.06872316
Li       9.41157999       4.04476998      10.22989996       0.41182150      -0.47218028      -0.61717681
Li       2.43918999      10.98189998       0.71850404       0.00100060      -0.12153117       0.10673211
Li       1.31369002       5.75738003       2.86619005      -0.76429985       0.79315829       0.41566410
Li       6.79512002       8.63283002       8.22467000      -0.11216107      -0.06942751      -0.09176103
Li      11.03909998       8.64176998       0.00631991      -0.11303482       0.24081701      -0.42098174
Li       2.86744000       6.12515001      10.79009994       0.60999844       0.50638775      -0.38764477
Li       5.01587005       9.92156998      10.46809996      -1.27570512       0.07071885       0.07633768
Li       5.82290000       5.05216998       1.93090003      -1.36493993       0.88868118      -1.00338001
Li       3.86849005       7.64588000       2.03313998      -0.76105207      -0.31662696      -0.04861048
Li       9.02525003       7.91862004       3.46358005       0.51842279       0.82098279       0.61971340
Li       3.01249995       3.58388001       7.04054996       0.03005981      -0.72803095      -1.80061147
Li       9.35073997       0.22901195      10.75670002      -1.65621174       3.47208359       2.50834207
Li       5.72402998       1.59176003       7.74520996       0.16229899       0.40930498       0.06202514
Li       0.57203995       2.17116005       4.68333004      -0.06263050       0.04350975       0.33171125
Li       2.00283002       2.82236005       2.12330000       0.72487229       1.24132807       0.05746395
Li       7.08149005       2.82440998       4.72111997      -0.32270850      -0.08848171       0.60839804
Li       9.54835997       3.17694003       6.92648003       0.26291675      -0.51142465      -0.12042070
Li       9.84824995       1.15041999       2.47739997       1.84400088      -1.29024366       4.58406123
Li       3.70804997      10.73810003       6.94231002       0.51771708       2.54082322       2.01426515
Li       9.38426004       6.64516999       7.19348999      -0.98831804      -0.63852264       0.69731604
Li       5.87394998       1.53281999       0.38823097       0.67841578       0.98447965      -0.89399564
Li       5.37424998       5.10755002       8.78354999      -0.05630358      -1.00630088       0.96025249
Li       6.44310999       6.53240996       5.38080996       0.94582978      -0.17635195      -1.78703561
Cl       4.48501003       0.31606195       1.19622001      -0.60800740      -0.22045385       0.62997995
Cl       2.83570000       4.20040996       8.94634999      -0.28697696       0.65675825       1.00449742
Cl       3.31618999       9.45448999       5.69676999      -0.62427139      -2.37289948      -2.35378400
Cl       5.57903997       6.47083004       7.19035004      -0.82100463       3.45214951       1.30270368
Cl       8.68049998       6.70184996       1.87260004       1.49636892       2.02089120       1.71310723
Cl       2.70763998       7.85352001       8.92511998      -0.13833761      -0.47306671      -0.51689647
Cl       3.09535998       8.74820997       0.33606803      -0.40807285       0.62475413      -0.17948051
Cl       6.71270996       1.09683995       5.84374000      -0.26171907      -2.15689852       0.19587276
Cl       9.48089005      10.82040003       3.27574000      -0.58955251      -2.39417215       0.75044199
Cl       6.88837001       4.30429996       3.35689002       1.28617194      -0.07254804       0.55615863
Cl       6.55058004       9.36935005       0.23165699       1.48886569      -0.25338080       0.80569427
Cl       8.35290004       4.70330001       0.30616598      -1.50107027      -1.19245508      -1.78889771
Cl      10.37489994       0.95021101       7.61298004      -0.68148723       0.65752462      -0.56606827
Cl       5.66814001       7.49493005       3.08545003       0.71370707       0.41046597       1.07145580
Cl       9.22339005       2.29503996       4.70013002       1.56828119       0.65481017      -0.28028510
Cl      10.45459996       4.64426997       8.43996999       0.11918686       0.05176261      -0.48205471
Cl       3.14837998       4.93262998       2.80782002       3.27669779      -0.63649255       0.15632086
Cl       5.11288996       5.72192996       0.02901781      -0.15240003       0.41225260      -1.07398991
Cl       1.56446003       8.36110995       3.28519998      -0.20043618      -1.67921411      -1.14020617
Cl      10.05450003      10.36730004       9.80364003       1.90020058      -4.47723998      -1.48564913
Cl       9.41310004       1.91531996       0.98316497      -1.43171089       2.11047092      -5.33412551
Cl       5.30369995      10.91339999       8.50468997       0.21180348      -0.63827097      -0.00829438
Cl       1.08874995       1.03314006       2.70046999      -0.43525390      -0.74931766       0.24688064
Cl       1.11441997       0.66342700      10.61790003       0.52878691       0.40052956       0.04768079
Cl       1.19257999       4.33862000       4.75936997      -1.18322268      -0.23447538       1.00391096
Cl       8.31339000       7.47679998       9.41329998       0.00512791      -0.27514423      -0.42288137
Cl       1.39309002       5.26618997       0.65133000      -1.90507695      -0.51677189      -1.17511923
Cl      10.92210001       7.85795004       6.88974997       2.39712250       0.99774703       0.14138871
Cl       1.97422000       1.19335005       6.29199002       0.55827438      -0.13307772       0.61935123
Cl       8.44484001       7.91200997       5.49946996      -1.64543372      -0.09474649       0.00950018
Cl       5.91017997       3.96839002       6.48654998      -0.21352628      -1.73785473      -0.03707384
Cl       5.67587003       2.61296004       9.72970000       0.41008902       0.00222435       0.53853762
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.66836464 stress="-0.024972285152945358 -0.007165833423700399 -0.0014491953944757 -0.007165833423700399 -0.015681241433578658 0.001960176867661356 -0.0014491953944757 0.001960176867661356 -0.02270600944846842" free_energy=-219.66836464 pbc="T T T" config_type=melt 
Li       8.61446997       3.09939002       8.88724005       0.50177714       0.03373901      -0.45605555
Li       2.81745998      11.24210005       1.42192005      -0.88402129       0.23141923       0.18361175
Li       5.70824000       0.20260501       7.01270002      -0.19097392      -0.26545828       1.22092021
Li       5.82165005       9.54989997      11.15529997       0.20881280       0.04817671       0.42414224
Li       8.20330999       9.98135001       5.22649995      -0.61392098      -0.05425829      -0.07679697
Li      11.32136706      11.21270002       5.99034005       0.65766009       0.73181040       0.93148335
Li       8.68366997       2.10396997       5.50724996       1.47560847       0.37240227      -1.73015302
Li       2.13653999       5.66748001       6.02768001       4.35047590      -1.12840532       0.31839537
Li       9.38075002      10.48760001      10.00020004       0.36234860      -0.34907594      -0.23669648
Li       3.24883001       6.19341005      10.95810002      -0.22687553       0.73724697      -0.35664700
Li       9.71146997       5.52327003       6.22891000       0.22431034       0.09806053       0.14898058
Li       7.82280996       2.13715000       0.00403531      -1.11614698      -0.79551542       0.54430598
Li       1.01952003       3.31415003       8.18291996       2.52693280      -1.49616873      -0.94350573
Li       4.78230002      10.42799997       4.35005000      -1.45004615      -1.43014801      -0.88801582
Li      10.08059995       5.94278003       9.55357003       0.06065252       0.78895819       0.18552607
Li       6.13223998       3.89252996       4.24374999      -0.01434412       0.34518181      -0.29218349
Li       4.00840001       9.01567999       8.32526998      -1.49793120      -0.68672487      -0.57045050
Li       5.75463996       7.18214001       2.86986000       0.06771030       0.01072176      -0.49299953
Li       0.47108194       8.53708000       7.58827005      -0.49823708      -0.03796071       0.02381606
Li       6.63754005       0.28136095       2.23351003      -0.27082668      -0.29031906      -0.34216781
Li       9.33081001       8.57317002       2.47690999      -0.53197034       2.00718754       1.43749418
Li       0.14414395       7.42671002       0.51811805      -1.08189523      -0.13279026       3.31584594
Li       0.12771701       2.37039995      11.28290005       1.63860372      -0.73987047       0.58210147
Li       4.20136998       2.73804004       1.27737004      -0.13830549      -0.04004668      -0.42363641
Li       9.45860005       5.63982003       3.17796998      -0.17420430       0.69111295      -0.56757923
Li       1.08256005      10.17110001      10.56489998      -0.65241742      -0.07526123      -0.23420389
Li       2.24997995       2.24338994       5.05008004      -0.03176125      -0.50444014      -0.20673279
Li       5.02710998       6.82572999       6.35501995       1.59142257       4.11942482      -4.28154738
Li       4.34687004       0.94598505       9.56381004       0.14996134      -0.28010104      -0.21166527
Li       2.22563005       8.21586005       4.18026997       0.17916865      -0.17345707      -0.36327498
Li      11.40240003       0.17315396       2.56610003       0.83379725       0.83162192       2.00420138
Li       6.24294996       5.08633995       9.38918005      -0.48890380       0.13665758      -0.31798209
Cl       3.96214003       5.02350996       0.99049798      -0.46729089      -0.93970091       1.26501934
Cl       7.78435005      11.34755904      11.28580005       0.00014165      -0.19239892      -0.12941853
Cl      10.36869995       9.62752002       5.14752997      -0.76680947      -0.93568646      -0.92360025
Cl       2.30412999       8.18105002       6.19245004       0.23405390       1.00298749       1.87021183
Cl       0.99487699       8.56694996       2.60273001      -0.34497595       0.21675335      -1.13117249
Cl       7.70681001       1.78671997       7.15790005      -0.86667082      -0.09729165       2.32546958
Cl       3.04564995      10.94589997      10.34159999      -3.55311031      -0.97204187      -1.53509201
Cl       9.22964003       4.12742996       4.52789996      -0.31806348      -1.38577932       0.66565597
Cl       3.96232002       5.14145998       4.57800001       0.25845459      -0.14762919      -0.60185419
Cl       7.49890002       6.65733003       4.12451998      -0.25830386      -0.18749409       0.45499566
Cl      10.79029999       4.08355994       8.59391005       0.04411848       0.12389245       0.09124447
Cl       0.46371993       6.29120999       5.86479002      -5.99711380      -0.43886925      -0.52368641
Cl      11.34590005       1.72785995       5.07160996      -0.12243739      -0.08294348      -0.37854385
Cl       5.64937998       7.35390004       0.56768295       0.39249456       1.04672563      -0.63966159
Cl       4.53839998       5.64067997       7.51986005      -1.38804459      -3.79268828       5.37274008
Cl      10.03810003       8.20462998       9.04654000      -1.67993964      -0.83224927      -0.09455557
Cl       2.71208995       1.83164998       7.24224998      -0.05425211       0.37236049       0.15130903
Cl       4.43595002       2.91605004      10.26589998       0.79697254       0.63468766      -0.29480982
Cl       4.74083005      11.33727811       0.69307305       2.97433507       0.64463567       2.44526116
Cl      11.08016010      10.70980000       8.26532005       0.72587677       1.40996320       0.03447571
Cl       5.47401994      10.14270001       9.01597004       2.41923582       1.22304096       0.44338851
Cl       6.07508000       0.18281400       5.03281002       2.55818399       3.26954050      -0.31803577
Cl       7.04380995       9.65267002       3.20957998       0.56727720      -0.55992649      -0.90216807
Cl       8.41984994       5.44371997       8.20215003      -2.49891170       0.08084929       0.01959309
Cl      10.97450002      11.10289996       0.74667498      -0.40433057      -0.92073267      -2.14750101
Cl       3.17285003       0.33691994       3.63866998      -0.43509719      -0.16687483       0.47129699
Cl       6.88521000       2.51129996       1.96827003      -0.46629722       0.63225951       0.83364863
Cl       9.63325996       7.00231005       1.39200000       0.07238894      -2.00625880      -1.52918235
Cl       0.98752300       7.73175996      10.37210002       3.40905209      -0.15685693      -2.41748835
Cl       9.67716001       2.83382994      11.06059997      -1.04452846       0.88706450      -0.11881026
Cl       4.80873000       9.32921005       6.30135004       1.37776667      -0.71241979      -0.73496377
Cl       1.64366995       2.04694996       1.52599003      -0.13063557       0.27936138      -0.35229640
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.46244539 stress="-0.013056330680667989 -0.0007134959811292236 -0.0014703219291913913 -0.0007134959811292236 -0.02074809760574432 -0.009512604148717336 -0.0014703219291913913 -0.009512604148717336 -0.022932361097401432" free_energy=-219.46244539 pbc="T T T" config_type=melt 
Li      10.72149998      11.40689999       7.64939999       0.52236101      -0.54228279       0.73259605
Li       5.06147003       6.83415004       7.85535005      -0.42450309       1.64259922      -0.01316646
Li       8.34320997       9.27990001       1.37108995       0.37971740      -0.52820804      -0.00124242
Li       5.23817998       1.37539995       4.34719001       0.97924796      -1.30361200      -1.76486646
Li       5.33503997       7.69033000       4.03758004      -1.27218668       2.29658533      -0.29896686
Li       0.50114702       1.65588995       4.24718996       0.23161040       0.35779960      -0.20131118
Li      10.72659998       2.42120001       0.99910800      -0.10033473       0.29931732      -0.28399249
Li      10.73319997       4.41454002       9.23942995       0.25287184      -2.93996944       0.54623624
Li       3.35861998       2.45009000       7.34252002      -0.33187767       0.09016511       1.16768863
Li       4.90017999       6.51665002       0.96815295      -1.22880086      -0.10158614       0.98672350
Li       8.82086003       0.42785198      10.63400001       2.28746241       0.05246775       1.20341146
Li       7.06137001       3.34846996       1.67587002       4.68514884       2.01506404      -2.03308106
Li       4.74110003       4.50405999       5.05981000      -0.16559401       0.31205562       0.26947206
Li       8.40774997       5.91918998       4.04643998       1.20078754      -0.25921352      -0.21386566
Li       6.06413998       4.58429998       9.35780002       0.23911812      -0.96556633       1.62374087
Li       2.61347995       1.06860997      10.38759996      -0.56190437      -0.28826968      -0.28846741
Li       6.49980005       0.12081987       7.99029002      -0.06685460      -0.31908380       0.08226901
Li       8.64914002      10.12029995       4.84294996       0.65086252       0.76294362       0.46960982
Li       1.62360998       7.20861998       7.84429000      -0.52223203      -0.38775710      -0.64756803
Li       8.33211003       2.48816000       6.83316996       0.31124585       0.08509884      -0.33021417
Li      11.20339996       9.45624998       9.85929005      -0.09308470      -0.16662688      -0.02369317
Li       8.69956004       6.36084002       7.24619003      -0.09083648       0.79101141       0.49118793
Li       1.83637005      10.49960001       1.17573002      -2.00205129      -0.72838743       0.31556977
Li       3.02245003       3.06819995       1.81660002       0.81671463      -0.24379662      -0.38051718
Li       1.73144999       4.90047004      10.70079996       1.54389310       1.93990289      -0.69973250
Li       5.31802996       0.28841996       0.43433205       0.12974221       0.42426505      -0.00121323
Li       0.59482704       9.02769995       4.82108999       1.77624076       0.53486716       0.76158785
Li       3.85518002       9.90293995       7.32757002      -1.86747182       0.52323151      -1.04270898
Li       1.53274994       6.51490000       1.72767996       0.19049073      -0.35567027      -0.07104389
Li       0.62768905       4.91200001       4.76054001      -0.61098574      -0.30802910      -0.13486432
Li       8.87525999       6.92788005      10.24760000      -0.37784026      -0.19573241       0.09047139
Li       4.26708003       8.94753001      10.22259996       0.31892560      -0.79955090      -0.39559824
Cl       3.60734006       7.26471997       2.53630998      -1.06639663       0.24429297       0.13183442
Cl       7.03146005       0.99498005      10.17859994      -3.56806232       1.08774006       0.52229175
Cl      10.72659998      10.64930001       1.31043004      -0.22777104       1.31956735       1.37867270
Cl      10.11509998       8.51281998       4.76973001      -1.15937334      -1.24720156      -0.32406153
Cl       2.18665998       5.82131999       5.84585997       0.46908149       0.58099576       0.63672598
Cl       2.86326001       0.63129400       1.86268000      -0.39884780       3.47100282       2.53208528
Cl       2.12698004       7.48447005       9.90490000       1.16383231      -0.06294408       1.03191599
Cl       9.11682005       4.37287000       7.64834998      -0.77994296      -2.25682586      -0.73801505
Cl       9.91165005       4.05956005       4.10987001      -0.40019221       0.45794111       0.00193926
Cl       5.61163005       9.22318002       7.86061995       1.55115519      -1.07575157       0.59031135
Cl       8.61480003       3.63660997      11.39800004       0.42933551      -0.21786327       0.43912678
Cl       1.50871004       3.80348002       3.05500996       0.58543970      -0.90900131       3.63191072
Cl       3.11518998       9.68634003       5.25074002      -0.43206562      -0.13924338      -0.35431402
Cl       4.01825000       2.42586998       5.38498995      -2.05494716       1.10501790       0.42479113
Cl       6.87921005       9.47778002       4.03109000      -0.77094872      -0.11336769      -0.94048379
Cl       0.09523366       0.30346695      10.08290003       1.18692977       0.99144960      -0.25684972
Cl       6.75080003       6.51132004       9.09569001       2.83567047       1.66368065       0.61663875
Cl       5.40651998       4.91256004       7.48207000      -1.73817843      -3.05339130      -3.05365588
Cl       0.41288398       9.09102003       7.62942005      -0.03220187       0.66999184      -0.36326911
Cl       5.51639995       2.73335000       2.23529994      -3.86049942      -3.42710117       2.87667339
Cl       6.95977998       1.35562005       5.57362000       0.87569280      -0.55826489       0.85908537
Cl       4.56060996       4.61427999       0.48674398      -1.11706932      -0.74402872      -1.89532724
Cl       3.89804003       0.25086803       8.51148004      -0.31312123       1.60740642       0.14796279
Cl      10.65669997       6.26412001       8.95655996       0.38778435       3.78551078      -0.20662685
Cl       6.31320995       7.56825995       0.24035597       1.91288026       2.51523244       0.18724671
Cl      10.14550004       8.12570999       0.11129202      -0.43954219      -0.63377577       0.15396619
Cl       6.34072995       6.04043001       4.24053999       0.52506058      -2.03933868       0.40685142
Cl       3.51785000      10.46369996       0.04731996       1.73510325      -1.85265862      -2.61075933
Cl       8.96262995      10.83159995       8.92690003      -0.05173903      -1.68114755      -2.14527182
Cl       0.69937302       4.30723000       0.73863497      -2.27104163       0.29839113      -1.19913442
Cl       1.72503000       3.70812999       9.14356002       0.28989330      -1.68694873      -1.85979211
Cl      10.51869996       0.65171990       5.64157005      -0.06580061       0.20660128      -0.53691999
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.15524602 stress="-0.011136183076427025 -0.001367743769039524 -0.004807353615080288 -0.001367743769039524 -0.008549620979464987 0.006207821217010234 -0.004807353615080288 0.006207821217010234 -0.016512164118828717" free_energy=-224.15524602 pbc="T T T" config_type=melt 
Li       2.21530005      10.45269999      10.29549994       0.30732541      -0.32716860      -0.09422815
Li       1.16732005      10.49129999       5.94917996       1.36573201      -0.68509140       0.11635999
Li       8.28077997       6.50698999       8.61176004       1.31367699      -0.66126183       0.13746955
Li      11.01689997       6.16265002       6.43699001      -0.13445045       0.63523649      -0.74058741
Li       3.73405004       7.15699002      10.48729999      -0.33684971       0.06265501      -0.07907833
Li       3.08441996       2.99995997      10.49270001      -0.10109513      -0.50286468       0.21773977
Li       4.04895995       0.87757597       1.66214005       0.21638337      -0.61169337       0.33829340
Li       3.01143996       0.95768698       7.62829999      -0.38263949      -0.31046140       0.14757094
Li       0.04229505       7.48624999       2.71945999       0.39449304       0.41082058       0.71610711
Li       9.39740005      11.03979999       2.98894005       0.01613944      -0.07248731       0.60714388
Li       7.61859994       1.42926005       7.83595994      -1.32669907      -1.67373843       2.94769687
Li       2.31793998       5.43000995       7.28116995       0.60278496       0.22028313      -0.38962806
Li       7.40068003       0.74134501       0.27520899      -3.10921137       5.15311906      -5.95795166
Li       8.91736003       4.66756000       0.72020499       0.13851645       0.43276262      -0.38025815
Li      10.88230004       2.44758001       5.32143003      -0.41396963      -0.32874271       0.07560878
Li       6.78036996       8.61344999       1.31937000      -0.09211839       0.61500464       0.41468545
Li      11.41850001       0.83775399       1.04948995      -1.02869018      -0.12274312       0.59048579
Li       8.78456997       9.27688995       5.65028004      -0.38086258      -0.45847214       0.39293070
Li      10.03270001      10.32480001       8.28884005       1.08234501       1.61890146       0.29578434
Li       3.07908999       6.24284002       3.85479001       0.24412085       0.39205076      -0.13616819
Li       6.72983003       9.70195003       8.56056000       0.14943105       1.26928471      -0.11346820
Li       2.20888005       9.95770998       2.06705005      -0.30646185      -0.45166725       0.06636880
Li       5.48053005       7.49458005       6.30976998      -0.09051428       0.70364381       0.06226954
Li       5.87846003       2.98644003       5.73872994      -0.11782631      -0.04421648       0.09458044
Li       5.10297004       4.30286004       2.22050002      -0.08035534      -0.61047019      -0.36963678
Li       5.89714004       4.47446003       8.67552001      -0.76120978       0.05896570       0.08699974
Li       2.44977003       2.53871003       4.25249998      -0.42741593       0.71219758      -0.47166247
Li      10.63720004       3.22746999       9.03683996      -0.95329535       0.10263993      -0.65274675
Li       0.83050696       4.35414997       1.40378000       0.19959406       0.13609825      -0.20132647
Li       5.05648995      10.49239999       4.87119004      -0.60065189      -0.58128583      -0.47358472
Li       0.18366098       6.88771999      11.06180005       0.15137335       0.25550870      -0.88214117
Li       7.80503000       6.59113998       3.53675999      -0.15728125       0.33955742       0.23393104
Cl       4.01182003       4.88408001      10.01529998       0.22442515       1.25228622       0.23866809
Cl      10.64029998      10.39559996       5.98863004      -1.21705344       0.48021474      -0.46815088
Cl       0.81212502      11.26470004       8.74825995       0.29754521       0.44338517       0.04683448
Cl       1.85185004       1.10193995       5.64634997      -0.29210057       0.05696653       0.22897427
Cl       4.34584995       2.62221997       7.91458003       0.42641919      -0.25281095      -0.29048249
Cl       3.26693004       8.51338001       5.87061995      -0.00855407       0.92275236       0.01491255
Cl       4.50396003       5.58389005       5.97717998       0.46562613      -0.91403021      -0.01254384
Cl       5.39064998       2.08747997       0.55195705       0.55512597       0.85703411      -0.31016186
Cl      11.30939996       9.92862005       2.74628996       0.56172494      -0.51343810      -0.59382477
Cl       0.28710902       4.64000996       7.68105998      -0.30591342      -0.72952456       0.10649301
Cl       8.13077996      11.22049997       9.65294000       0.09359609       0.90866090      -0.18911329
Cl       7.06449002       5.50328997       1.68849998      -0.51685218       0.30686583       0.32779996
Cl       6.94878998       8.91061995       4.26643000       0.41560741      -2.37346410      -2.57211653
Cl       9.03166005       8.68229001       8.01751000       1.19886940      -1.47800675      -0.53075014
Cl       8.30953995       2.22239999       6.32167001       1.62736019       1.28216660      -4.04016003
Cl       2.08936000       7.23825996       1.73632002       0.91455342       0.81378416      -0.07586848
Cl       6.64981004       7.65976003       8.41385000      -4.10191190      -1.72141155       0.14986859
Cl       1.97211997       1.03185996       0.76021097       0.74495541      -0.42800646      -0.05270141
Cl       9.28189995       6.29014003      10.59299996      -0.86157834       0.20850199      -1.60994800
Cl       4.50050996      10.51590004      10.67910003      -0.14664661      -0.55036056      -0.30180921
Cl       9.21435001       6.69374999       5.17882998       0.30981057      -0.23029058       0.10020497
Cl       6.69286999      10.63150000       6.17552005       0.02967051       1.96496353       2.81477716
Cl      10.34400004       1.58219997       3.19037995       0.37051232       0.93731273      -0.33326273
Cl       1.68833994       7.90276001       9.75634999       0.18745485       0.18647972      -0.12018931
Cl       0.57847095       3.51573002      10.50180001       0.66086664      -0.13627686       1.74646635
Cl       2.74689000       4.15836999       2.56381004      -1.78438047       1.07716079      -1.94048519
Cl       7.92918999      11.12649998       1.41982002       2.30449036      -5.72390997       5.61520912
Cl       4.44901001       2.80673997       3.88608004       3.49318017      -1.87216153       1.64554986
Cl       4.29937995       9.97682001       2.74043000      -0.03264223       0.69046692      -0.26484734
Cl       1.31970006       5.72798000       4.88901000      -1.21462568      -0.04378638       0.56170692
Cl       7.87940005       3.68149996       8.80003001       0.46032781       0.38398232       1.03947054
Cl      10.77680000       6.06412003       1.30873997      -0.24018086      -1.48187113       2.46992000
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.7669344 stress="-0.01727324201384327 -0.0055506421230634906 0.002497960292293887 -0.0055506421230634906 -0.017827627777852545 0.002182476497662298 0.002497960292293887 0.002182476497662298 -0.014181866396636414" free_energy=-219.7669344 pbc="T T T" config_type=melt 
Li       7.32331999       1.45117999      10.22689999       0.28020663       2.34688478      -0.15091088
Li       9.47871000       3.63611001       9.81078995       0.63311099       3.06820316      -2.25671094
Li       9.69949002       3.46324999       5.56967996      -1.53228820      -0.62580951       1.08845601
Li       6.31957996       0.99310003       4.53245002       0.27001876       0.65872982      -0.28377796
Li       1.68991995       4.27644004       3.89925995       0.53497121      -0.20187044       0.17625634
Li       7.20855005       5.87788005       8.41928005       0.01294916      -0.00238637       0.06456333
Li       3.60176005       2.25022999       2.06926002       0.83837086      -1.03514589      -0.04207647
Li      11.02830005       6.39953999       6.83611995       0.38050106       1.08682342      -0.83824008
Li       3.32026004       6.40775999       7.63083004      -0.53246384      -0.45259491       0.72528692
Li       6.94399000       3.17466001       1.90814997       0.28014651       0.14581719       0.27523110
Li       4.71111005       4.46633002       5.24491995      -0.16650253      -0.14299551       1.10699969
Li       5.65201000       9.96030996       9.09076002      -0.86553201      -1.02125431       0.78748280
Li       6.61720998      10.46940000       1.20536003       0.20200534       0.11636065      -0.26313302
Li      11.15700001       0.23757703       6.72183002       0.25970153      -0.41842580       0.30604896
Li       0.91445598       2.92856995       8.12997998       0.28528275       0.33467531      -0.14209472
Li       1.77870002      10.66740004      10.47000004       0.62191572      -1.55879509      -2.91983484
Li       7.63704998       9.08068005       6.95907997       1.58219738      -1.32039986      -0.26354175
Li       0.77684495       2.23215999       0.38846404      -0.23046933      -0.71576031       0.21221077
Li       0.79658599       0.41374105       3.20205001      -0.33434083      -0.96870828      -0.02340277
Li       7.88228997       6.62498999       4.66998997       1.49024397       0.30349855       0.57033306
Li       3.35791997       9.23148005       1.50252999       0.87329437       1.50835313      -0.50095624
Li       4.80768996       8.28292998       4.91212004      -0.08208411      -0.26018190      -0.49070273
Li       9.66688997       9.79517996       4.22835002      -0.25522578      -0.13980207      -0.14390239
Li       4.11826003       1.19451998       8.08499999       1.42252892       0.93989333       0.47713868
Li       7.74761001       7.10428001       0.93705701      -0.03952887       0.44090237       0.10979776
Li       9.96866994      10.69719995      11.18527505       0.23609376       0.03862381      -0.62984775
Li      10.23939995       4.09763006       2.26337998      -0.48353737       0.30022199      -0.30297146
Li       2.93928000       5.73504005       0.02561991      -1.33379461      -2.88821602       2.40786001
Li       0.46493594       7.42835996       2.40419997      -1.35832231       0.00276854       1.03504781
Li      11.16760000       6.55036005      10.78880001      -0.06031857      -0.25755441      -0.21858542
Li       7.84583000       0.94204305       7.36090001      -0.10639017       0.49614079      -0.09337845
Li       4.88465999       5.70503000       2.41039997      -0.41884002      -0.28190566       0.27353399
Cl       3.38931994       5.86181997       4.29321996      -0.80398389       1.64017244       0.15640953
Cl       8.42062000       2.46143000       3.60983996       0.31342075       0.68116077      -0.77834383
Cl       6.42635001      10.64139997       7.22773999      -1.94250594       0.56536991      -0.02426551
Cl       6.96840995       5.84586995       3.02127998      -0.35678771       0.22635597      -2.08997498
Cl      10.93719995       9.55130996       9.22684997       0.03512842       0.34224321       0.40451359
Cl       0.35911995      10.16869996       4.50219006       0.40125280       0.44598397       0.13724994
Cl       6.15843999       7.45407996       9.89461001       1.91499494       0.26026390      -0.71186947
Cl       9.19501997       2.29560997      11.01425012      -0.10577623      -2.96054936       3.68077719
Cl       2.18796003       7.64463005       1.44025006      -0.13220678      -0.84892120      -0.11091430
Cl       3.94566002      11.02410000      10.49939996      -1.40307312      -0.65681520       0.02021339
Cl       2.34060004       0.37828605       7.75360996      -2.18322066      -0.59207027      -0.46914307
Cl       8.30948000       0.07721995       5.21752995       0.84933940      -0.91017682      -0.03485104
Cl       1.39471004       2.24473000       2.56374996      -0.01625983       0.85749634       0.96185610
Cl       9.16348999       5.65923995       0.36011986      -0.16748767      -1.68735360      -3.48285302
Cl       3.44030997       6.97736997      10.27469996       0.02729919       2.22755411      -3.47949336
Cl       9.96649998       6.56038006       2.61846003       1.26622072       1.09906682       2.30093385
Cl       6.01013004       6.45919999       5.78865998      -0.18766200       0.87366876       1.79544043
Cl       0.81025703       4.14610000      11.29669994      -0.43246305       1.64725851      -0.96528451
Cl       9.15289997       9.29150002       1.18413999      -0.80961384       0.39059051       0.50190805
Cl       1.19731004       0.14441989       0.53004801      -1.55831351       0.04260518       2.12378214
Cl       9.44754000       5.26370005       7.32740998      -2.17928766      -1.19553285       0.73563418
Cl       9.71799005       1.98708005       8.14368002       1.14465807      -0.51577038      -1.47983705
Cl       5.35330004       3.31310002       3.66359000       0.19986098      -2.20716780       0.32924083
Cl       2.44445003       3.51578001       6.52915995       0.70101354      -0.37336807      -0.54022037
Cl       6.27435005       2.87922998       7.86630005      -0.01837728      -0.51647821      -0.00746481
Cl       9.66735003       8.07611999       5.78899003      -1.06084498       0.32136151       0.08390321
Cl       4.91003996      10.06409999       2.92311995       0.36557777      -0.13636798       0.42882568
Cl       1.04605996       5.68889999       8.08631999       0.63677730       0.39624426       0.89797109
Cl      11.01010005       4.23041004       4.33374997       1.48650880       0.68237162      -0.14205704
Cl       6.60002996      11.16780005      10.48839999       2.32659441      -2.45730905       0.53982327
Cl       3.40518995       4.20748996       1.69842003      -0.22814405       2.19925954      -1.49248796
Cl       5.81176004       2.18036999       0.32997798      -0.48653924       0.66276295       0.65839849
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.15859853 stress="-0.008108833870957956 0.0018237880968085588 -0.0026877497362617865 0.0018237880968085588 -0.006041231618500971 -0.0032620708242455465 -0.0026877497362617865 -0.0032620708242455465 -0.013072603618159099" free_energy=-225.15859853 pbc="T T T" config_type=melt 
Li       0.28582800      10.83879997       0.10740506       0.22848998       0.10057740       0.43730899
Li       5.27806995       2.80522003       3.47788999      -0.08433529       0.76687529       0.03187190
Li       6.53240996       4.22516994       0.68246699      -0.87456111       1.50778331      -1.19750111
Li       3.90337001       9.02489005       6.81393004       1.31379831       0.26826275       2.21160455
Li       9.47928000       5.23813997       8.66758994       0.31750004       0.28704588      -0.54384332
Li      10.99609999       1.61499996       6.81685996      -1.25429319      -0.04317258      -1.14265700
Li       0.51455805       9.04183002       6.38246005       0.62887796       0.06713780      -0.80819559
Li       8.55093000       8.42822002      10.43650004      -0.66301708      -0.42869596      -0.09472218
Li       2.42156996       4.34389999       0.77928100      -0.42859589      -0.13616252      -0.11156867
Li       0.20251295       1.82980996       3.01558006      -0.19969324       0.05780028      -0.51021882
Li       2.19478002       5.17583998       8.11252997       3.85107728       0.01848488       1.76387498
Li       9.19822997       9.64308003       2.55141004       0.03710919      -0.85596193       0.52640304
Li       6.70341002      11.01759998       8.36360000       0.51791122      -0.15441950      -1.60734514
Li       4.65774004       6.66121000       4.97677995      -0.09952412      -0.77284836       0.37590671
Li       6.67998001       6.86913994       2.53234999      -0.42418445      -0.20237293       0.34185484
Li       3.20741999       0.33061700       5.07321003      -0.27492620      -0.23632699      -0.79879920
Li       5.41320996       9.82584003       3.33131997       0.06155837      -0.93730125      -0.06262474
Li       7.42180996       0.38465400       5.28177004      -0.03857709      -0.18918243      -0.21396911
Li       2.83738995       0.48862802       8.48445002       0.96761556      -0.74011728       0.10224895
Li       8.90084998       4.50875003       4.55990995       0.80915493       0.16167521      -0.06091430
Li       9.40202004       3.44699995       0.61389397       0.35447753       0.06096767      -0.05441493
Li       6.00882999       6.35881004       8.82456999      -0.72685800      -0.18060138      -0.02759624
Li       4.08277006       0.84545603      11.43132579      -0.10052909      -0.10563986       0.29812974
Li       4.44246001       8.65867004      10.61750005       0.31124889       0.05432439       0.07913957
Li       8.66348000       8.63302995       6.93160995      -0.08150489      -0.33258438      -0.01611006
Li       0.83716495       5.01422000       5.04036005       0.60791413       0.45890486       0.13728447
Li       8.44059995       0.88882701       1.45793004       0.49989737      -0.62431794       0.05690719
Li      10.48739996       6.20405005       1.90361998      -0.16405529      -0.42624571      -0.49107589
Li       6.43035001       3.61992004       6.97222996       2.52691168      -1.03460807      -2.04649337
Li       1.12670005       7.84117000       9.76206000       0.32116486       0.04819520      -0.48748765
Li       2.24735005       7.91674999       2.34998998      -1.25455832       0.19669305       0.31364123
Li       0.27707101       2.27462002       9.88899996      -0.22246078      -0.31951575       0.47132003
Cl       3.01624005       9.23114002       5.14256995      -2.03699728       0.32696872      -2.13607239
Cl       7.45366002       9.51696997       5.21117003      -0.23579566       0.12877810      -0.35554007
Cl      11.46150000       4.08600000       1.42844999      -0.61984779       0.39082379       1.49106024
Cl       4.53206001       3.41176001       1.20296995      -1.00527702       0.22897981      -0.36742081
Cl       4.59013003      11.41770003       6.54360002       0.54185418       0.29339608       2.06150941
Cl       8.71192999       6.83016999       3.21907000      -0.43028788      -0.09092515      -0.25946896
Cl       1.85403995       0.94561796       1.45134003       0.21610720      -0.18127509       0.17779461
Cl       5.04926997       4.35172998       7.92801995      -2.99163109       1.15581523       2.58380973
Cl       5.38496003       0.49627504       3.54058000       0.04172542       0.58447864      -0.26259439
Cl       0.54391990       5.05246002       7.38296004      -3.91981142      -0.96466473      -2.52407216
Cl       9.93773003       0.10025696       3.28448999      -0.42892698       0.53964029       0.03024347
Cl      11.04662307       3.26231005       4.83048003      -0.62414406      -0.66533087      -0.13846675
Cl       4.11810996       7.37163000       3.01192994       1.31552880      -0.36346491      -0.26318219
Cl      11.45590005       7.79308996       7.97112002      -1.30880053       0.63322767       0.56193476
Cl       6.84551000       4.66104004       4.31924995      -0.84231243      -0.53922527       0.14671204
Cl       8.45254997       5.70815998      10.56590001      -0.12742937      -0.26092695       1.22002324
Cl       5.75945002      11.44700285      10.01400005      -0.53950921       1.16914806       1.96644958
Cl       7.65604996       6.21439003       7.56322002       1.98596734      -1.10694786      -1.72757186
Cl       2.94918995      10.26009997      10.45620003      -0.98977908       0.97800494      -0.60875762
Cl       3.45704999       7.29364000       8.12866996       0.12432761      -0.01944769       0.54086775
Cl       1.08276996       4.17867999      10.26240005       1.16559449       0.72467289      -0.45783650
Cl       1.75171999       7.69425995       0.25700795       0.18244330      -0.62509488       0.42625878
Cl      11.46065898       7.44264996       3.24728003       2.19573985       0.79069696       0.99010393
Cl       1.19150006       1.69552002       7.95918995       1.02924834       0.23225978       0.60085136
Cl       6.33693000       8.51655000       1.15180006       0.03655962       0.65014172      -0.79943540
Cl      10.29179996       1.28060996       0.13601990      -0.14483351       0.46266877      -1.00590332
Cl      10.87030003      10.83870001       6.55247005      -0.56915984       0.17467347      -0.05210724
Cl       3.83202997       4.51465001       4.80364995      -1.17200600      -0.38258884      -0.06188031
Cl       6.67562003       8.65789999       8.54306998       0.10349888       1.17037192       0.80568888
Cl       7.82856995       1.82680999       6.98035000       0.32441854      -0.23949120       0.08266850
Cl       7.37958002       2.75577998       1.60415005       1.86225596      -1.33594250       0.85773023
Cl       9.66854002       9.62076000       0.39723100       0.39824632      -0.19407412      -0.39535538
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.5842066 stress="-0.027765633303142006 -0.008203737621284856 0.005099630136857381 -0.008203737621284856 -0.01888976695021813 -0.0018512534894679696 0.005099630136857381 -0.0018512534894679696 -0.01672524073945094" free_energy=-216.5842066 pbc="T T T" config_type=melt 
Li       8.01473003       7.45528004       6.85289002       3.45768558       0.96236497      -1.05414055
Li       5.94775002      11.21349999       8.02661998      -0.35782095       0.14622978       0.31870197
Li       1.43340003      11.01139998       7.82350996      -0.06628417       0.10877524       0.02326001
Li       6.68772001      11.02080001       1.02041001      -0.58028371      -0.86007915       0.36290069
Li       7.39217995       4.28169996       8.14421999       0.18442383       1.34213569       0.91086412
Li       1.14997001       2.53049002       9.41117003       0.00444404       0.29698786      -0.68520976
Li       2.27329005       5.67487000       5.50713005      -0.07709940       0.54853352       0.15197917
Li       0.93943997       7.72261994       1.15284995      -0.08676728      -1.75857167       1.76975347
Li       7.06722001       3.61202000       1.10860999      -0.51341387       0.08072663       0.61108273
Li       6.94980996       1.63686005       5.08988001      -0.05064109       0.23956229      -1.17507679
Li       3.98145001       1.10012997      10.26889995      -0.43652108       0.58994731      -0.19022346
Li       8.35459996       7.86826995       3.41246999       1.29401476       0.35959747      -0.07372948
Li       8.95640003       1.88390004      10.38389998       0.17831578       0.09668505       0.27628703
Li       0.32859504      11.09769999       0.85006800      -1.58459256       6.08351080       1.28402249
Li      10.76170005       4.76731002       6.12481995       0.03854815      -1.77094233      -0.08241923
Li       5.74460000       5.41126000       4.03359001       0.30530923      -0.19584938      -0.50652902
Li      10.59760000       4.04006997       2.13931996      -0.03184412      -0.05754690      -0.11053962
Li       9.46788004       1.18047004       6.87127001       0.32085065       0.31703626      -0.27969686
Li      10.99259994       8.08415003       7.70949002       1.52627583       2.93450420       2.24942145
Li       0.80564598       2.04096996       4.06674999      -0.34754734      -0.09738166       0.47352611
Li       4.07598997       1.60083000       3.07719001       0.36095336      -0.76603885      -0.82724232
Li       6.00672996       6.34067997      10.73529999       0.43396076       0.12742698      -0.96004344
Li      10.25359995       5.66508994      10.49289994      -1.37132168       0.14297674      -0.90924863
Li       5.59103998       9.69495005       4.97501996       0.54911793      -0.41284630      -0.82914883
Li       2.70735005       9.70987998      11.18100002       1.72115212       0.69210286      -0.70454906
Li       3.41762995       2.59674003       6.78910001      -0.14910186       2.06594585      -1.46972107
Li       2.99297995       5.02353003       9.41671003      -6.67174237      -0.25731751       2.06172646
Li       2.91972996       4.53808999       1.94964001       1.31835443      -0.08530641      -1.52682824
Li       9.11478996       1.06608003       2.49679994       0.32172822       1.43252214       0.76952399
Li      10.78449998       9.61478997       4.30428998       0.21053028       1.17260855       0.46903708
Li       4.72941002       7.33377999       7.94840000      -3.01618595       0.76957147       0.50476490
Li       9.26851002       9.33370004      10.64850003       0.39621929       1.09216467      -0.06207940
Cl       8.16154997       9.17518997       5.74021995       0.01135657       1.53846313       0.19482360
Cl       1.31452004      11.37520000       4.34213999       0.74757726      -0.89774740      -0.91710293
Cl       1.82671999       4.54904996       7.40129004       0.15453304       0.78039959       0.55043029
Cl       7.21573001       2.76636002       6.91801997      -1.77716155      -1.94221527      -1.78323846
Cl       4.34408995       2.71110001       4.80240997      -3.06666866      -0.06466135       4.13066514
Cl       2.64018003       8.07329003       6.37536996       0.30022367      -0.58994321      -0.71439544
Cl       8.34301003       7.52392998      10.45260002      -0.40515247      -1.07295143      -0.04958694
Cl       9.15299994       3.44947004       3.82643999       0.44991161       0.60438296      -0.06805392
Cl      11.02660001       1.88940003       1.14557002       0.41052346       0.40210280       0.29868471
Cl       0.91044704       1.93738996       6.61468004      -2.16518477      -0.31620762      -0.67049003
Cl       3.42713006       3.34750994       0.02021989      -0.30504052      -0.01525934      -0.01140835
Cl       3.44944000       8.94867001       9.26091000       0.47476240      -0.02248974       0.15510692
Cl       3.09944998       1.12962000       7.94765000       2.78238387      -2.57393999       1.77523614
Cl       9.70657999       3.44355000       7.86526001       1.24351904       0.49818084       1.25312066
Cl       5.17856997       6.35677994       1.12086003      -0.69407262      -0.38095121       0.93561470
Cl      10.47370003       7.89626997       3.13398004       0.54682231      -0.61458237      -0.72038732
Cl       0.83890305       9.48403000       0.45047398       0.20739946      -3.46337879      -1.49462140
Cl       6.36767995       0.09926622       3.05147999      -0.69292905      -0.60582767       2.23664791
Cl       1.68053999       0.68600704      10.35170002      -0.87475566      -1.00315977       0.98586676
Cl       1.48420995       4.68036996       3.34921995      -1.03667183      -0.01625512       1.33983733
Cl       8.55782003       0.06931992       0.86948803       1.81102581      -0.93988269      -2.25453822
Cl       6.49598004       6.73028997       7.53873002      -0.20065555      -2.01897321       0.38321531
Cl      10.46200004       9.86234001       8.68215004       0.19884108       0.85844030       0.21131856
Cl       0.36301001       5.99835003       0.21111403       1.07341924      -0.85595336       0.15458696
Cl       6.44592000       7.70448001       3.81204005      -2.61689347      -0.88119871       0.22499971
Cl       4.61836001       5.06758003       8.95505000       6.94576181      -0.02198331      -1.36756514
Cl       5.90587995       3.07335005       3.04385005       2.98738598       1.93107545      -3.87587754
Cl       9.65153998       0.29085394       4.32200000      -0.06706553      -0.43029111       1.50706499
Cl       8.81281004       4.21984994      11.38490004      -0.38739716      -0.56299746      -0.17941263
Cl      10.54819996       6.71103996       6.65822000      -1.58546972      -2.21688627      -2.25888821
Cl       4.87010999      11.32649996       0.30960698      -1.85603459      -0.25372661      -0.61330354
Cl       7.41265997       0.61568400       9.33547001       0.10498971      -0.19161824      -0.14877550
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.59935713 stress="-0.012563946058549304 -0.0003284967045251245 -0.00412276185050172 -0.0003284967045251245 -0.024503956361812868 -0.002683089319986163 -0.00412276185050172 -0.002683089319986163 -0.017410372269738718" free_energy=-222.59935713 pbc="T T T" config_type=melt 
Li       3.43620002       8.50860995       6.90455001       0.05168438       0.84130024       0.87718315
Li       0.91846401       4.99412002       2.47249005       0.19124144      -0.37676690      -0.58980882
Li       7.46158001       3.47358997       1.32266999      -1.83675967       0.35610852      -1.72251865
Li       1.14184000       9.02476005      11.27270005       1.70918649      -0.45188897       0.65359066
Li       7.07670005       1.58430000       4.38545995       0.14975074       1.01490430      -0.85194252
Li       2.33715996       0.20061298       9.16048004      -0.04242774      -0.83266190      -0.49696418
Li       8.49858994       6.89448002       8.90114003       0.51952282       0.69349744       0.39039861
Li       7.01126996       3.26926004       9.25603997       0.97045142       0.14120207      -0.02606548
Li       0.18200703       5.73361997       7.66962998      -0.38052739      -0.76126658      -0.90065894
Li       5.34782998       9.75919003       9.89975002      -0.34488786      -2.05054268       0.97125580
Li      11.14369995       1.97458995       2.94442001      -0.02027687       0.39156857      -0.30732840
Li       7.72913005       7.47724996       2.00210995      -0.44302907       0.98411069       0.88477351
Li       5.65839996       5.30921003       6.99011000      -0.77836459      -0.51893644      -0.49884027
Li       1.07680005      11.11819996       5.22108995       0.62388591       2.13361235       0.81137718
Li       4.34099998       5.57334005       4.08912001       0.30791246      -0.00422114      -0.29017208
Li       2.42164001       3.62801004      10.92750003       0.24670765       2.70853509       1.36104969
Li       7.65366001      11.30649995       0.95863897      -0.20666182       0.73146216      -0.79881001
Li       9.86386005       8.89193994       6.69083004       0.00292602      -0.17316055      -0.34036409
Li       2.98969004       3.34098000       6.63465999      -1.29768934       1.47641888       1.05053416
Li      11.28910004       7.54656001       3.25925998      -0.15338843       0.92437724       0.47059354
Li      10.90469998       2.08285998      10.72000000       0.28344498      -0.19569719       0.31670063
Li       8.44822003       5.58988002       4.43178000       0.05070362      -0.17347424      -0.02380063
Li       9.71734002      10.44430000       3.50054994      -0.10086064       0.19816933      -0.24797148
Li       3.53886001       1.31856005       2.00869996       0.18597130       0.00111504      -0.11309946
Li       9.61693001      10.59350003       9.35657999       0.78754697      -1.18172277       0.48784486
Li       6.69080997       0.04558393       7.71671997       0.02089699      -0.36204195       1.62379618
Li       6.48602996       9.15710003       4.58441004       0.33640832       0.01197413      -0.29327171
Li       9.81917997       2.30575001       6.58085996      -0.49739404       0.88169538       2.08577157
Li       3.70257005       9.30332004       2.80351002       0.13955632      -0.75624160      -1.10813401
Li       4.88791997       6.06133994      11.40760000       0.13097414       0.67222143       0.40788879
Li       4.13802995       0.33365297       5.50058004       1.41679530       2.17815343       1.50910201
Li       9.93725999       5.07836998       0.16726201      -1.33898215      -0.28435623       0.02742248
Cl       6.35311000       5.15836005       5.05261995       1.48951543       1.81007009      -1.64359176
Cl       6.71560996       5.90914005       8.61147000      -1.31468528       0.24206858       1.68354532
Cl       9.41443001       1.10073999       9.18200996       0.26631203       0.27234991      -1.76808646
Cl       3.76770997       4.56174000       1.03440996       1.43839696       0.88557745      -0.65542350
Cl       3.44873002       9.01858000       0.25316203       0.53573802       0.39552026      -0.46914000
Cl       3.27210995       7.16482001       5.41024003       0.00572128      -0.81205265      -0.84501712
Cl      10.64860000       5.64559998       3.79359998       0.46409453      -0.85204818       0.46963938
Cl       8.77359005       2.99225002      11.06700002      -1.03510818       1.16499594      -0.04829452
Cl       0.11612605       9.51647999       4.69526000      -1.42330154      -1.72376712       0.08520573
Cl       5.63046002       1.11465006       2.63984997      -0.57833679       1.02531427      -0.18022488
Cl       4.59340996      10.19700000       8.06975995      -1.29370994      -0.05801262      -1.99479827
Cl       0.38933498       4.70197004       0.20759805       1.33042018      -0.03612617      -0.27099543
Cl       5.43012001       7.45886996       2.18639000      -0.05563337      -0.11998110       0.70971866
Cl       7.32763996      10.28350005       2.74556003       0.61869765      -0.49365592      -0.57937242
Cl       0.65856901       8.21081003       1.47680002      -0.81922902      -1.09968364       1.84503429
Cl       6.91724005      11.39920001       5.67676998      -0.30788611      -0.76645623       0.01996026
Cl       1.97870998       2.78029004       2.10945001      -1.57529950      -0.86196934       1.64807402
Cl      10.12660003       1.32939001       4.92687995       0.67171671      -1.45879240      -1.45176639
Cl       0.58828896       9.91709994       9.72560003      -1.00252210       1.85786274      -2.99448399
Cl       1.88296994       4.95601000       8.20440001       1.90082200      -0.75300524       0.23598642
Cl       8.16275005       6.19976998       0.46284899      -0.37943890      -0.02211970      -0.82050692
Cl       3.07514995      10.57570002       4.47936995      -0.54399376      -1.28697942      -1.26905171
Cl       2.01717000       1.99598998      10.12389996      -0.84163529      -2.10640957      -0.37815513
Cl       8.74639999       3.26052002       2.66691003       1.49889310      -0.27198415       2.87557331
Cl      10.58429995       7.28919999       8.19855002      -1.03416394       1.34247853       0.12883546
Cl       4.58451998       3.20989995       5.54689000       0.55720459      -1.34080468      -0.70634876
Cl       7.86975997       9.36647000       8.86443003       0.15354107      -0.56416561      -0.57240370
Cl      10.78150001       0.55690297       1.31700996      -0.44154912      -0.63624032      -0.09538840
Cl       8.19372997       3.78509005       7.21911002       0.66862723      -0.95559734      -0.14396635
Cl       2.17553998       1.57564997       7.02212996      -0.96586234      -2.50358182      -0.32886143
Cl       8.66195995       8.25404997       4.22014996       0.16115609      -1.14578440       1.06284638
Cl       5.99726001       0.03254365      10.44930003       1.16718066       2.65553271       1.13192584
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.98670529 stress="-0.006731226520216615 0.0011944169108175269 0.00016755176459007284 0.0011944169108175269 -0.013907195755280866 0.0036383269574170535 0.00016755176459007284 0.0036383269574170535 -0.007556545940580986" free_energy=-226.98670529 pbc="T T T" config_type=melt 
Li       6.85747000       6.92259995       2.35169999      -2.37561846       0.06369416      -0.94133553
Li       0.75190304      10.81799999      11.42599994      -0.78141460       1.40564667      -1.35453974
Li       8.87481999       1.08061995       1.23224995       0.26208036      -1.96153632       0.89298615
Li       6.28716001      11.22815708       9.27704001       0.35407095       0.28723099      -0.36568936
Li       3.44579001       1.76129002       9.50984996      -0.37680687      -0.56590421       0.53506724
Li       3.93173997       9.30953001       1.15744002      -0.32059787       0.20449921      -0.17325183
Li       0.79870504      11.12289997       6.68137006       1.23260182      -0.59256776       0.26317279
Li       1.22080000       3.83892998       4.57946996       0.12474139       0.65521825       0.36775495
Li       0.72202403       3.76883003       8.71078001      -0.42084093      -0.54287080      -1.14221918
Li       2.74262002       6.88950005       3.29468999      -0.09950862      -0.08555543       0.08062629
Li       4.93663995       4.04051994       4.16272000       0.06683492       2.31003673      -0.04601943
Li       5.71219002       7.88277995       9.12410996       0.31820057      -0.11847678       0.12198931
Li       7.73855999       9.68086997       0.31131998      -0.25797442      -1.43810145       1.39216369
Li       8.93846004       4.83621997       4.27913999       0.08337226       0.05406013       0.49572580
Li       1.67489005       3.55456997       1.05817002      -0.06836890      -0.12209965       0.29431498
Li      10.02659998       7.40179998       9.56277000       0.66364004      -0.24319981       0.36108900
Li       8.11332995       1.80539001       6.78078004       0.72465210       0.96773243      -0.58291197
Li       4.41853004       8.95609004       6.44630004      -0.02568949      -0.61469279      -0.07208504
Li       4.68828994       4.36511005      11.29690000       0.04381809      -0.10486230       0.17517435
Li       9.92863003       1.44727995       9.43235006       0.00025264      -1.21177465       0.84610447
Li       3.17777004       1.45443997       2.68658995      -0.49417283      -0.76908479       0.22262037
Li       8.01043001       3.99806003       9.85772002       0.20197861      -0.34256984       0.16412048
Li       8.54008995       9.72443996       6.75695004       0.87380215       0.96633761      -0.31283143
Li       4.45363998       4.76120001       7.58460996       0.43564504       0.17525645      -0.03059140
Li       3.77082000       1.62238995       6.04958000      -0.07723565      -0.30643804       0.79213094
Li       2.24697998       7.46452999       9.89928995       0.01884557      -0.05504296       0.91616760
Li       6.27937003       0.86889200       3.38077000       0.46953408      -0.68402132       0.09710548
Li      10.51759997       8.31896004       3.71059997      -0.03743819      -0.16528776      -0.22160425
Li       7.79471995       5.77498000       7.19841000       0.30696764       0.33183055      -0.56259322
Li       0.85934295       6.75792003       6.74447003      -0.20402017       0.56767854      -0.31762906
Li      10.32510003       0.62628101       4.37304998      -0.11431458       0.38374576      -0.33174666
Li      10.67639996       5.02645995       1.82877004      -0.03497028       0.44032812      -0.46082968
Cl       8.70093999       2.55938001       4.20189998       0.03966294      -0.08711522       0.03813341
Cl       1.31242001       5.19254997       2.61435994       0.83594046       0.81397473      -0.78821968
Cl      10.02750004       6.34450995       7.59207997      -0.84571286      -0.08989754       0.68360126
Cl      10.29359997       0.10150600       6.51612002      -1.37328503       0.65593295       0.63219653
Cl       3.71578997       2.65809996       1.07043004       0.62319857       0.32665511      -1.09661027
Cl       0.69406196       8.18940003       8.78887996      -0.72535259       0.84952507      -0.16261470
Cl       7.10850999       8.27047003       6.90882997      -1.28561953      -0.88154336       0.26160541
Cl       0.78494997       4.28858002      10.65500005       0.35975885       1.10534108       0.55418750
Cl      10.64329995       7.08642004       0.72199296      -0.55907401       0.10284358      -0.74689654
Cl       8.09207001      11.22970510      10.64429998       0.92060027       1.50842184      -1.01727138
Cl       9.48305003       2.98469001       8.22880998      -0.50040495       1.26967526      -0.60259942
Cl       8.80140996      10.91120000       3.17432995      -0.24572603      -0.21478194      -0.87515326
Cl       0.34191986       9.17167995       5.29619004       0.17082914      -0.06892615      -0.28139894
Cl       8.59463998       6.96303997       3.16957996       1.61337312      -0.27224522       1.29775658
Cl      11.19730005       5.44661997       5.07602004      -0.54811212      -0.40380092      -0.05760472
Cl       1.55553004       9.44050001       0.99297805       1.58459741      -1.76601213       1.34022974
Cl       2.52935999       0.97192596       7.70544003      -1.87414138      -0.10726342      -1.46770066
Cl       5.15284000       2.99621998       9.44737996       0.45427475       0.76343224      -0.19941036
Cl       1.12069999       2.30417000       3.11939003      -0.66122400      -1.96197240      -0.07619087
Cl       3.01265999       7.14446002       5.52794001       0.28128328       0.22854385      -0.62520052
Cl       6.78003004       5.71335995       9.08658003      -0.13471222       0.24131708       1.04172093
Cl       4.78779004      10.21540005       2.94049005       0.25002600       0.67106554       0.55229277
Cl       8.70391004       2.87447002       0.53879801      -0.25444497       2.44302488      -0.92771978
Cl       7.04377005       0.05541799       6.89128997      -1.10241655      -0.48325493       0.32426637
Cl       5.77357998       8.73823994      11.42840905       0.34100893      -0.64115118      -0.34439311
Cl       0.35558001       1.24111001      10.43969995       0.18254098      -0.48108158       0.17518019
Cl       3.73155003       7.14975996       8.39495996       0.77490222      -0.38893423       0.39446997
Cl       4.61911001       2.10570004       4.20074002       0.69901282      -2.15233639      -0.76661530
Cl       4.66007004       6.06128996       2.14667005       0.44226377      -0.25348652      -0.08806967
Cl       4.21557996      11.10600001       9.39496997       0.48115045      -1.36771540       1.10195609
Cl       6.42855001       4.44682996       5.77361999       0.29227040       0.38182942       0.35340826
Cl       3.00649003       3.63627005       6.19971002      -0.72853449       1.37072692       0.27022806
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.92409284 stress="-0.02496566958393605 0.0026846700071383295 0.009091766906901055 0.0026846700071383295 -0.01331376811587039 -0.0008029863707270993 0.009091766906901055 -0.0008029863707270993 -0.016066098684642597" free_energy=-222.92409284 pbc="T T T" config_type=melt 
Li      10.40059999       9.55556997       5.43597997       1.55191118      -1.32540301       0.44236438
Li       6.05182000       3.69845999       7.94110000      -0.72891961      -0.26074291      -1.23584093
Li       2.01797995       3.84288997       1.48981002      -0.00725111      -0.49850249       0.27736867
Li      11.28120001       4.34212004       5.33741995      -0.22578656       0.19367426      -0.30386733
Li       2.24939000      10.47529998       6.30530005       0.26496485       0.24210052      -0.31249586
Li       2.71082005       6.80862998       7.17426004       0.46458627       0.11279524       0.39225530
Li       4.04089998       1.76314001       4.80878996       0.28697806       1.08658358       0.57125075
Li       9.52229994       3.36810002       8.99989998       2.73732580      -1.06888034       0.13007385
Li       0.97131205       1.25645999      11.23359997      -0.56903352      -0.36202790       0.50489132
Li       9.79990003       2.62739002       1.56301003       1.63759775      -0.64998414      -2.27901719
Li      11.44479999       1.24678001       4.15063997      -0.66700999       1.45138351       0.15846220
Li       9.99428997       9.45760002       0.59969695       0.69132844       0.06200571      -0.17515088
Li       1.54139000       7.36129002       2.42054001       0.15006890       0.09041844       0.64090196
Li       4.57545999       8.92278998       4.66403004       0.49240519       0.30529870      -0.66320787
Li       7.86565002       6.28701005       9.97889998       0.30166231      -0.12339530      -0.55372926
Li       1.88426999      10.92359999       3.18892994      -0.22701523      -0.64846277      -0.17582765
Li       2.41862995       3.54371995       7.97104998      -0.03862509      -0.41112187      -0.06206230
Li      11.25410005       7.02093997       8.00845001       0.41507981       0.02950511      -0.76280003
Li       3.84710000       0.17582801       9.49189002      -0.93966656       0.40588304       0.11949087
Li       4.55431997      10.50390004       1.63032002       0.19152521       0.62757758      -0.32231984
Li       4.07444000       5.46125997       3.83607996       0.01975000      -0.11068369       0.41409587
Li       1.94217000       9.13496995      10.44970001      -1.14955521      -0.28758978       0.60818875
Li       7.78722002       3.73283001       4.76708004      -0.32501392       0.47541289       0.58804934
Li       7.30237005       0.25850599      10.61760001       0.26880110      -0.37369283      -0.04933161
Li       7.51135997       7.23511003       6.34560995       0.63356985      -0.18007366      -0.46528469
Li       6.18499997       3.94591005       1.64387997       1.56551466      -0.04810248      -0.45729307
Li       5.43991004       8.57279995       8.90796001      -0.67045901      -1.55887066      -0.13969447
Li       7.13179004       7.58071004       1.87222000      -0.56499627      -0.07370100      -0.25774145
Li       4.17154004       6.82902001       0.20537799       0.57193960       1.29112805      -0.45316092
Li      11.42259998       0.53471305       7.97186004       0.04721703      -0.09414316      -0.40656607
Li       8.38782998       0.22669800       6.45067996      -0.15426541       1.94184859       0.71085145
Li       0.72017702       5.43534004      10.63620001      -0.64805750       0.62003288       1.37088652
Cl       1.57551996       5.42298005       8.86707999       1.12405268       0.23608578      -0.09752811
Cl       9.91839999       1.05751002       9.57582002      -0.08829858      -0.35654651       0.32172793
Cl       9.18094997       5.88730999       5.62897998      -0.04355476      -0.17818296       0.27331269
Cl       8.54130001       9.99867999       5.44731998      -2.77779565      -1.48981262      -0.79158682
Cl       1.07339997       8.64906000       0.76689900      -2.46881309      -1.02649449       1.24432247
Cl       2.70518995       1.28574997       7.02162003       0.12229629      -0.28302241      -0.11422207
Cl       2.70140994      10.71089999      11.45750000       1.67410925       2.44861329       0.56424042
Cl       6.10959000       6.34589002      11.24819996       0.91959237      -0.58338663       0.35126433
Cl       6.78513004       2.01390005       6.02650000      -0.67210931       0.25546229       0.34038985
Cl       9.98174002       7.02593002       9.71944005      -0.18429471      -0.05153524       0.50397346
Cl      11.01479995       3.74812004      11.14619997      -0.58276141      -0.48633588       0.42312078
Cl       3.80118005      11.24510002       4.13065005       1.06110184      -0.18787306      -0.44791003
Cl       3.01626998       4.63933002       6.00705004       3.42560354      -1.91170503      -0.56525976
Cl       6.38717003       5.61319000       3.78032997       0.43209736       0.99533252       0.06448681
Cl       0.34666504       0.52052394       2.16937999      -0.53655310       0.29867975      -2.63902186
Cl       1.00646004       6.12175005       6.19979004      -3.90374797       2.06152335      -1.23801449
Cl       2.53727997       8.51457000       4.55221994      -0.47002775      -1.18663996       0.02951353
Cl       7.70435998       3.90878998       9.08664996      -1.63560000       1.00783817       0.97577679
Cl      10.24140001       1.65503002       6.24303996       0.25265074       0.81138929       0.18755152
Cl       6.78518003       1.00041000       1.12606000      -0.46210648       0.39992845       0.10244756
Cl       2.70767001       5.94067003       1.13471002      -1.69947463      -1.11883873       0.64372175
Cl       8.91688002       3.11808998       3.13799999      -2.20784946       0.40696138       1.53917359
Cl       2.40709000       2.31256002      10.08940005       0.86121968       0.32213534      -0.15097547
Cl       5.58412002      10.40130000       9.43039998       1.10745470       2.67680514       0.32536513
Cl       0.37193002      10.81930004       4.81334002       1.25282756       0.69499452      -2.46848923
Cl       6.02082999       6.83508003       7.87731997      -0.11351696      -0.53213546      -0.45068722
Cl       7.99505996       9.50161999      11.28700002       0.19573003      -0.57105333       0.61196758
Cl       0.28903605       3.50799003       3.03304004       1.47536919       0.71283693       0.53487374
Cl       4.89141005       8.36446005       2.08407004       0.30744381       0.11804453       0.37898924
Cl       0.39905004       9.81068998       7.11179003      -1.17985328      -1.63100474       3.89677672
Cl       4.46110001       3.67101003       2.58355004      -2.26600604      -1.53396765       0.41556265
Cl       2.84149003       8.96283001       8.78204003       1.70424314      -1.17836615      -2.61860327
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.41087619 stress="-0.02158535727648536 -0.004813966206889742 0.0050418264785105525 -0.004813966206889742 -0.015133844749209315 0.0013813620491446882 0.0050418264785105525 0.0013813620491446882 -0.005199533772899753" free_energy=-222.41087619 pbc="T T T" config_type=melt 
Li       0.14500904       3.02440996       1.93214999      -0.05576659      -0.20840025       0.24376312
Li       7.73962995       5.01409997       7.84401005      -0.17800976       0.98159519      -0.79503087
Li       4.90054994       0.80191802      11.16699996      -0.76926046      -0.29275271      -1.16968809
Li       1.40277000       6.01980004       1.67877002      -0.18602995       0.99699417      -1.02670594
Li       0.01262997       7.52247001       4.54951999      -0.51723935       0.07229725       0.25835734
Li       3.40683003       0.25967695       7.46332005      -1.76854830       0.26228794      -0.41701927
Li       6.95199998       1.44410996       7.45894998       0.26166874       0.39771696      -0.12302996
Li       9.39831994      10.24149998       8.82229994       0.18664563      -0.26215493       0.17559661
Li       8.97328004       1.32592000      11.25120005      -1.79209555       0.19499176       2.30820531
Li       2.82083002       4.67533003       9.23642001      -0.06705149       0.52404357      -0.59427396
Li      10.74250002       1.66581000       7.16605001       0.20779498      -2.18088380       2.28522514
Li       6.62158005       4.21728997      10.88930001      -1.19225708      -0.24768376       0.01670843
Li       4.45578001       7.91041998       0.42420198      -0.12033482       0.60742502      -1.15539700
Li       5.90643000       8.59771997       8.86496002      -0.69016178       0.59914409      -0.46697913
Li       4.58891000       6.75336000       4.92506000      -0.30415159      -0.10867528       0.99042098
Li       0.58583801       1.41014004      10.42200002       2.61304346      -0.10715450       0.58632386
Li       0.77261601      10.37320002       5.24211005       0.16724926       0.00607720       0.28180611
Li      11.02620003       6.00390998       9.41732004       0.45385159       0.38625288       0.18012223
Li       3.01823002       1.26446000       4.12596999      -2.71250300      -0.26776568      -0.44031706
Li       5.43196002      10.48189997       5.31125996       0.09099697       0.54695979       0.08583167
Li       8.44572998       3.96974005       4.93526997       1.10304734      -0.31196226      -0.39839765
Li       2.17941995       9.15510994       9.07300999      -0.55185217      -0.02860471       0.60181719
Li       2.51818002      10.38619994       2.26855002       0.57463358      -1.79715613      -0.53244250
Li       9.30105000       0.24557199       4.24124997      -0.13846621      -0.62950071       0.10530045
Li       9.11175995       8.05496002       6.28675005      -2.51250638      -3.80438913       1.28514236
Li       4.39173000       3.57421001       2.63732003      -0.18145052      -0.27342504      -0.06393762
Li       7.81030999       8.41050002      11.08660004       0.02828514      -2.60962912      -0.16890496
Li       7.62671001       7.28698005       3.09630005       0.50962476      -0.22389534       0.25377864
Li       0.85845297       4.64104003       4.85322001      -0.11711033      -0.27533420       1.32415464
Li      11.11529995       9.08826001       0.98805895       0.83142561       2.14978565       0.55894388
Li       6.47867000       0.77188895       2.89200005       0.10082642       0.63186952       0.01721842
Li       9.41618003       5.20388998       0.96058102       1.06063293       0.53622208       0.63908590
Cl       2.41292005       6.59004996      10.38150004      -0.38160593      -0.01777324      -0.07583581
Cl      10.89269997       4.92560994       3.01032001      -2.51624816       0.00746152      -0.99731634
Cl       5.82350004       7.21899997      10.56169996       0.61738166      -0.65503840      -0.06194955
Cl       0.07646285       7.43159002       7.58027004      -0.04290276      -0.65718777       0.48512563
Cl       2.52188998       5.18395004       6.50244004       0.44019651       0.17300512      -0.17608675
Cl       5.33044004       0.00637620       7.75033003       1.99625353       0.11561222       0.49318301
Cl       3.24043001      10.87889996       5.02673005      -0.78361158      -1.26046662       0.45105404
Cl       1.56280997       0.63456797       2.51657995      -0.96246650       2.69716044      -0.11914827
Cl       7.36657001       5.13033000       0.99584297      -0.42791150       1.09441026       2.31362854
Cl       7.95714999      10.29700005      10.87030003       0.22321796       2.66694468      -0.23600672
Cl       4.76409004       1.94391004       4.18669995       2.89350928       1.54773520       0.31094614
Cl       5.76028004       1.83253995       1.18744995       0.51969741       1.36839709      -0.03435666
Cl      10.23389996       1.06759996       9.84805998      -0.70144402      -0.79290392      -3.32188897
Cl       1.27858995      11.15260002       7.87246003      -0.07945128       0.15116023      -0.40923556
Cl      10.45049999       7.38617003       0.44047896      -1.45998446      -2.40809356      -0.79716372
Cl       7.12713004       3.47868997       9.10396997       0.15848553      -1.40387151      -1.05864684
Cl       5.28984995       8.66699002       6.35377997      -0.19717055      -1.85306405      -0.04146935
Cl       7.16240999      10.54700000       3.89563999       0.30829366      -1.21168922       0.11662114
Cl       1.96569997       4.60034997       3.08248995       4.47187348      -1.39751863      -0.56267482
Cl       3.15747998       7.98335998       1.87390995      -1.03013255      -0.10780265       2.32482875
Cl       8.95462995       1.39719996       6.11819005      -2.54401432      -0.77835400       0.26324297
Cl       0.77408596      10.26360001      11.03670005      -0.09015589       0.14209795      -0.16272891
Cl      10.30969995       4.02233003      10.94039998       0.79173981      -0.25825586      -0.52786096
Cl       7.86030996       7.90280002       8.41582999       1.56825206      -0.44569767      -0.57811824
Cl       0.24918197       9.35482997       3.15064005      -0.03696340      -0.51882455       0.58386343
Cl       3.03766003       2.90161995      10.43499994      -0.20067837      -0.71773824       0.21108988
Cl       9.18506003       6.49946002       4.69213999      -0.66062095       0.63817944       0.10193544
Cl      10.07310002       9.52352995       6.03283997       2.33745054       5.12000010      -1.06402597
Cl       9.11204002       1.42773003       2.43303997       0.25641038       0.56335199      -0.75007708
Cl      11.11170005       3.10520000       6.04449995       1.64595883       3.23774108      -1.77815282
Cl       3.93128003      10.40139997      10.86609998       0.28005340      -0.75185535      -0.19710436
Cl       6.55516002       4.66321997       5.48683002      -0.72834290       0.44858248       0.44865044
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.00682957 stress="-0.027305358499211976 0.0005852868078500426 0.0005963148304604196 0.0005852868078500426 -0.020738609887722064 0.00048006222286276417 0.0005963148304604196 0.00048006222286276417 -0.011999686564144378" free_energy=-224.00682957 pbc="T T T" config_type=melt 
Li       3.09425001       5.06209002       8.45468003       0.54805282       0.08555794       0.26671998
Li       9.16718997       4.69587998       2.99120998       0.23990071       0.30974907      -0.05838258
Li       5.27026999      10.71290005      11.12530001       0.48283647       1.18861346      -0.70349617
Li       4.36015003       0.88458099       3.21912995      -0.18444647      -0.02554174      -0.06003825
Li       2.44041002       8.38800997       9.67623003      -0.47850549       0.25586705       0.47284616
Li       5.62483003       2.82405000       7.48198998      -0.07589380      -0.46938763      -0.10165006
Li       7.02368005       5.49659002       9.13953996       2.37744419      -0.51324742       0.33187234
Li       6.74091002       8.90053001       8.35615005      -0.89075846       0.89148085      -0.51086294
Li       4.94528998       7.38454004      11.21300004       0.42502599      -2.77780409       0.18664856
Li       5.28988996       4.78671996       2.81975995      -0.54298898       1.11062187      -1.44618125
Li       8.41568004      10.95799994       2.11018005       0.70007283       2.44968068      -0.86586596
Li       6.86982001       2.86533998       4.62228997      -0.87643424      -1.06592120      -1.39746985
Li       2.86366998       7.20468005       5.66088003       0.19031997       0.28388017       0.18233029
Li       8.92497002       0.34462704       4.72848004      -0.08971663      -0.00191632      -0.04006331
Li       4.28683000      11.26709998       7.11812003      -0.37144668       0.08234271      -0.77684696
Li      11.37999998      11.16009995      11.13679995       0.22124259      -0.44037291      -0.60686141
Li       0.35139497      11.14949996       7.28278000      -0.37477511      -2.01220701       0.55341481
Li      10.68170001       7.00511995       9.07639998       0.02157615       0.23106999       0.07751464
Li       1.17084005       0.25861398       4.22361997      -1.93680122       1.67614130       0.66775056
Li       8.29470999       8.60835997       0.30146402      -0.36566788       1.44450898      -0.20942173
Li      11.16439997       5.64324006       5.79310995      -1.15065786      -0.09528338       0.69266072
Li       8.70222995       2.60529995       0.48882704       0.29429345      -0.56100078       0.76977244
Li       4.96015996       2.95247997      10.94200005       0.17748099      -0.22183471       0.23313609
Li       5.80373000       9.20657997       4.01456997      -1.42540427      -0.53499410       1.22232548
Li       1.36759002       2.33647004       8.86096002      -1.17346081       0.55698696      -1.30284097
Li       2.66187996       8.15589005       2.36471000       0.66798435       0.23767669      -0.22401381
Li       1.28032002       3.47261998       0.33100896       2.02738220       0.03897162       0.75696578
Li       7.01982002       6.40717004       5.53351004       0.97694756      -1.25827050      -0.96445775
Li       0.28375698       6.48356995       1.08627000      -1.03373479      -0.05347818      -0.47196924
Li       9.59187001       2.90934000       8.38923997      -0.28536805      -0.16558252       0.00032129
Li      10.51490001       8.40633998       3.68433003      -1.11918294       0.22631131       0.34947474
Li       2.80184999       4.09364003       4.09268001       0.99103617       2.03093051       1.19671290
Cl       1.33770998       0.86589295      10.13860004       0.93179615      -1.13901905       1.42800695
Cl       1.51967998       5.66233003       4.89763996       0.99406943      -0.13373559       0.14001323
Cl       4.66153999       3.15910998       3.78884999       0.50858128      -1.07856238       1.13923542
Cl       7.30533998       9.63852997       2.80184999      -0.55803104      -2.34288966       0.01983714
Cl       2.18986998      11.01380003       6.47577000       0.91228083       0.02363915       1.13778466
Cl      11.13059995       1.50912997       7.46905002      -1.31005434       1.93919497      -0.20450081
Cl       2.22726004       6.75644997       0.40125095       0.39287270       0.21899163      -1.20322281
Cl       4.56895997       7.03621004       3.40733996      -0.26915942       0.54623888       0.19078700
Cl       7.56550004       3.45718997       6.40308004       0.49014280       0.30509772       2.53541004
Cl       1.88255998       2.74083996       3.22752995      -3.17741491      -2.97134424      -1.87406985
Cl       6.17887002       7.98515998       6.42573002      -0.86721883       1.26750023       0.03546409
Cl       5.75871000       0.69572004       1.05932998      -0.38117400       0.58013012       0.13762810
Cl       7.14979997       4.83512995       3.74113004       0.38231146       0.62711197      -0.76393646
Cl       5.16944005       6.02950994       9.11746996      -1.63791209       0.46846197       0.17806163
Cl       4.11203997       9.09544994      10.99160003      -1.07543118       1.17665838      -0.12340232
Cl       2.13895998       6.84749000       8.25024005      -0.53636528       0.25207220      -1.40797291
Cl       0.66130897       7.67379002       2.72946006      -0.08806459       0.43741489       0.69036091
Cl       5.63442001      11.36010005       8.72035005       0.75565787      -0.21976802       0.83305918
Cl       7.41727996       3.34796003      10.49759996      -0.74386539       0.50902245      -1.14264443
Cl      10.53810005       4.82907004       7.96924997       0.17705818       0.89054990       0.10775133
Cl       9.29300998       6.96257004       0.56942002       1.41642907      -2.28815922       0.94359524
Cl       8.16993001       1.58947004       2.81407997       0.67552806       0.82575944       0.67474449
Cl       2.62792001      10.60579995       3.81092996       2.99837949      -2.29104192      -2.88620144
Cl       3.30369002       2.99401001       8.72664004       1.80319205      -0.14852964      -0.31005202
Cl       8.22760004       7.92552005       9.34114001       0.44666368      -0.40262483       0.34698334
Cl       0.29133705       9.12247996       9.37971995      -0.58646995       0.35880499       0.14337568
Cl      10.26149999      10.68060002       1.34217004       0.39552730      -0.55043363      -0.06889445
Cl       5.58602997       0.68744203       5.28509996       0.42759681      -0.67910719       0.40405154
Cl       9.41777001       6.44320995       4.49821997       0.78041337       0.52340785       0.53798723
Cl       3.92272997       4.40228997       0.78536899       0.50138742      -0.62368288      -0.17984265
Cl      10.51899998      10.19540004       4.97153997      -0.13137147       0.74202605       0.37171592
Cl      10.84139996       3.00408998       0.02221995      -1.59370820       0.27326680      -0.05115745
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.36983778 stress="-0.010752911355926334 -0.0012764462253723582 0.006292764785798577 -0.0012764462253723582 -0.009931404598860567 0.003059029021128006 0.006292764785798577 0.003059029021128006 -0.015676222985615045" free_energy=-224.36983778 pbc="T T T" config_type=melt 
Li       2.37992000       9.39073002       8.37651004       1.01830484       0.06180082      -1.02273521
Li       0.33534303       3.18272995       3.51275997       0.15815369      -0.66613183       0.28885428
Li       5.11101005       0.65643505      10.21559999      -1.09008876       0.27323992       0.05605187
Li       6.09650995       8.88676004       2.52328002      -0.30787475       0.30773843       0.27702217
Li       2.50589994       1.40694999       1.49848997       0.58848345      -0.48535125      -0.14072648
Li       4.80728997       0.71369397       5.00960998      -0.06675174      -0.10734349       0.04895067
Li       8.74015001       6.00143002       9.49168997      -2.09437764      -0.74729742      -0.08950400
Li       1.35221998       7.31575001       4.33970005      -0.31702741      -2.36259042       2.62500583
Li       5.13761005       7.31254001      10.58560000       0.41473162      -0.35507082       0.30641850
Li       6.54022000       1.50331002       1.89955004      -0.25755917      -0.00067868       0.16242038
Li      10.87510001       0.55998904       1.50595001      -1.42000545       1.53437417       0.30425870
Li       7.04369003       4.17187996       5.73867996      -0.07889942      -0.15794777      -0.71772140
Li      10.55420002       5.67144998       1.85996996       0.50858118      -1.91297145      -0.15478482
Li       7.00572996      10.27120003       6.10285004      -0.99973850      -0.22370529      -0.18446969
Li       1.66550000       1.58016002       8.73976997      -0.74415939       0.26173350      -0.84272712
Li       9.65856002       7.26248994       7.03208004      -0.12632335      -0.26198115       0.24016158
Li      11.02810000      10.10590001       8.23206997      -0.22985417      -0.10265308      -0.20687866
Li      11.42703540       8.23512004       0.41507297       0.12912603       0.33451690      -0.53297153
Li       2.84857003      10.22739994       3.31716995       0.84116689       0.94730574       0.09096988
Li       6.89915996       9.77234999       9.10276003       0.12729738      -1.85565401      -0.97802814
Li       8.56133005       1.75651997       4.64469002      -0.34717894      -0.81151702       0.50805584
Li       0.45106199       0.53210803       5.46758000      -0.81097831      -0.34835964       1.01298268
Li       5.68269002       5.45857997       7.97694995       0.25633026      -0.05540396       0.44666139
Li       6.75344002       5.05452004       2.57204001      -0.17967924       0.28525752       0.03313882
Li       2.30892997       4.39732995      10.55869998      -0.28532820      -0.63084529      -0.54668162
Li       3.25629004       9.96490003      11.25571113      -0.19857376       0.10955471       0.12173166
Li       2.94679002       4.52596995       2.37476004       0.05083939       0.01222909       0.29405170
Li       5.40557005       7.43995998       5.89240999      -0.29719603       0.15869758      -0.85640705
Li       8.90469006       8.66894995       3.30493000      -0.88960369       0.85832202       1.04888337
Li       8.13872000       2.37527995      10.59699996      -0.16107818      -0.62367650      -0.66662963
Li       2.77073995       3.97644998       6.31226999      -1.04645236      -0.55430192       0.85979160
Li      10.35790002       3.64596000       7.34727001      -0.01351502       0.35384166       0.32084385
Cl       2.65364998       0.00071996       7.55390999      -0.00310995      -0.34199435      -0.52456894
Cl       1.05708997       5.20361002       3.65747003      -0.14228474       0.44925867       0.03769429
Cl       4.18253004       5.14373002       5.37706997       1.30817506       0.73865940      -0.11877927
Cl       4.56771002       9.21574005       9.48873998      -1.30081742       1.01405402       1.07653717
Cl       1.04577002       3.84000005       8.07835999       1.53702063       1.57469482       0.37060818
Cl      10.48729999       1.52289995       4.02775997       0.25095505      -0.52887751      -0.71130992
Cl       4.96246004      11.23480005       1.53700996      -0.56453442      -0.67632727      -0.04000689
Cl       4.47336003       9.57609000       4.89146003       0.13988395       0.03497786       0.40094250
Cl       7.53862994       7.26980003      10.77810005      -0.73643364       0.51716036       0.67838150
Cl      11.03919995       1.65943001       7.33607996      -0.79945381      -2.66163923      -0.19220146
Cl       4.64337003       7.38448994       1.74783004      -0.26257213      -0.48982050      -0.52830795
Cl       2.92864997       1.58663000      10.39860005       0.68906675       0.00929686       1.13646302
Cl       7.48748997       6.96817998       3.93845999      -0.49535687      -0.06460497       0.24192736
Cl       6.19659999       7.72636005       7.88192999       0.93607493      -1.12247039      -1.46123004
Cl       8.58715999       1.89988996       1.06882997       1.13692256      -0.70248239       0.13221527
Cl       0.94515205      10.77979997       1.39899000       1.11245759       0.11970066      -1.04588885
Cl       8.60725000       4.96000003       7.05649999       0.83550620       1.85050247      -2.31141997
Cl       0.17370998       8.21750999       6.72812999       0.17610411       0.30638647      -0.34471599
Cl       4.04954004       4.99772003       9.39444995       0.28522065       0.47150734       0.25094035
Cl       1.19190004       9.05343003       9.98377000      -0.79010126       0.15069609       1.12152863
Cl      10.09699995       7.54923004       2.11996997       0.38642819       0.94108917      -0.80816007
Cl       7.01344004      11.35801814      10.21749996       1.11712870       1.90147558       1.21008038
Cl       2.03059995       1.25522999       4.43763997       2.30248167       0.53872740      -0.87383520
Cl      10.55469998       6.53414004       9.75344001       2.56533467       0.54975524       0.54436013
Cl       8.54477001      10.43889998       7.38183998       1.32650616      -0.48296998       0.99590196
Cl       7.82944995       3.98281999       9.34562002      -1.16911152      -0.74495513       1.59580157
Cl       1.48791005       8.74657000       3.21365003      -0.24293063       0.85871469      -1.41995779
Cl       6.93247000       1.99686000       5.99546997      -1.55427769      -1.07958243       1.84849986
Cl       7.37238000      10.66090003       4.07955994       0.83859613      -0.12762766      -1.49653630
Cl       4.34073000       2.86849002       1.94045001       0.33244276       0.58216669       0.11438519
Cl       7.53195005       3.12511002       3.48865999      -0.69084049       2.26775083      -1.05920136
Cl       0.95215696       2.88617000       1.43240000      -0.65525243       0.91164610      -0.92613680
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.31292844 stress="-0.004607336116485168 -0.0017505507842197569 -0.0011047321918330167 -0.0017505507842197569 -0.026045911841581657 -0.0014523653883041358 -0.0011047321918330167 -0.0014523653883041358 -0.015450669313623778" free_energy=-222.31292844 pbc="T T T" config_type=melt 
Li      11.43429997       2.29756004       2.75247999       1.52305517      -2.71606979      -0.78992459
Li       3.02159995      10.93169997      10.17739998       0.21778269       0.25525635      -0.16151627
Li       8.82563995       2.31675996       5.21610998      -1.05229856       1.30192746      -1.52347948
Li       7.01064997       0.16846301       2.24446999       3.57329120       2.60920335       1.98210511
Li      10.56019997       9.38050996       9.13001005       1.55395855      -0.59613751       0.12134831
Li       3.85861002       6.28847003       5.13460996       0.55347028      -0.32602649       0.04228177
Li       7.82953995       9.91263999       5.39595003       0.22638139      -0.07309255      -0.19274061
Li       0.83702704       2.58500004      11.11370000      -0.40443867       1.33413381      -0.81205750
Li       0.86118400       8.20251998       0.77786998       0.64666836       0.47449959       1.10349144
Li       3.70860003      10.70980000       6.52466000       0.49459820      -1.82544636      -0.43126388
Li       9.65852001       9.80993002       1.59278998       0.23311763      -0.74244037      -0.34585356
Li      10.44390001       5.64941002       0.90871696      -0.22597083       0.44035215       0.04912044
Li       4.56406002       2.64530995       5.01074002      -0.51486031      -1.16063895      -0.49301810
Li       2.55466005      11.33669996       2.72187001       0.71912048       0.88221120       0.69288375
Li      10.58389996       4.36037003       8.47668996      -0.36771678      -0.69179044       0.45462037
Li       7.02368005       4.56270002       7.46223003      -2.09800479       1.54851882      -0.17846432
Li       4.77447003       8.69503004       2.50385002       1.41296117       1.04002983       0.80262771
Li       3.01151001       2.54004000       8.75082004       0.80391334      -0.17996556       0.23399337
Li       6.79952001       6.60045001       0.21102197       0.76472943      -0.13883720       0.22333053
Li       7.28515001      10.10199998      10.56150002      -1.64467783      -0.10900530       1.24058774
Li       6.74191005       3.79718005       3.03027004      -0.28503654      -1.64501576       1.35596364
Li       3.84231996       5.11242004       1.04520002       0.03185474      -0.04313537       0.03274340
Li       1.10592001       7.80041001       7.21248000       0.14470482       0.77923958      -0.44018115
Li       7.96626994       6.83112004       3.02798005       1.17082421       1.64738014       0.68325068
Li       9.87759999       1.02806000       8.70418003       0.00671155      -0.26735802      -0.45895697
Li       4.51891002       1.71078001       0.87130902      -0.40508655      -0.07687059      -0.03466944
Li      10.00020004       5.37270001       5.34225994      -0.03865321       0.34973748       0.04958046
Li      11.22760003      10.39400001       4.08529999       0.26763728       0.37229596      -0.07205778
Li       2.64912996       6.04833005       9.29463000      -0.08728013      -0.35473956       0.56010990
Li       7.48422001       2.29745996      11.14479995       0.53217190       0.28407425      -0.54899091
Li       5.25734998       7.46794004       8.65885003      -0.08535831       0.11417026      -0.78530869
Li       0.78446801       0.63194998       7.11478003       0.10721552       0.21171203      -0.94872299
Cl       0.93658502      10.30159997       2.06107006      -1.62730457      -2.68429110       0.22242851
Cl      11.03340005       7.40011003      10.82300002       0.21253132       0.05810510      -1.60278467
Cl       1.48063000       1.05765997       0.65501600       1.26355102       0.16875166       0.52559438
Cl       1.27501000       0.86191599       4.76485998      -0.69392300       0.08634893      -1.19375631
Cl       6.61720001       1.90599996       3.87667004       0.77128108      -2.04223578       5.85618413
Cl       3.23511001       1.07504005       6.95968001       0.42114138       2.17861187       0.65804091
Cl       0.18496194       5.96262997       7.62313005      -0.86461269      -0.55594475      -0.35430021
Cl       0.88480099       2.36593003       8.97448001      -1.89946493       1.01631334      -1.23931539
Cl       5.62856005      10.70109998       1.63674999      -5.07441374      -1.24849263      -1.91994450
Cl       8.70844004       4.88381003      11.26980004       0.16387913      -0.59252224      -0.77432675
Cl       7.22273996       8.46515002       1.33639996       1.01626323      -0.36866423      -0.45337770
Cl       6.79566996       5.47536000       2.20841002      -1.56489406       1.34874536      -1.37172337
Cl      10.32159998       7.48755004       2.28720000      -0.06247498      -0.19615563       1.03515062
Cl      10.76660000       3.85442005       3.59235005      -1.46356923       2.41060293       1.34992341
Cl       2.66989005       4.14809994      10.60179994       0.06288043       0.77312734       0.63108559
Cl       3.13147006       6.64173999       7.24475997       0.91440473       0.46915783      -0.28999130
Cl       3.42925003       7.82043995       1.34448996      -1.46897386      -1.48040000      -0.91882405
Cl       7.73183000       7.09306003       5.44177998       0.49567295       0.18033363      -0.03458550
Cl       0.87336995      10.95220005       8.93574003       0.04895102      -1.83959614       0.78347697
Cl       5.62102996       4.36441004       5.41557997      -0.08976005       1.81877412       0.97951834
Cl       8.68424995      10.02699997       9.16398994      -0.52552437      -0.15488820      -1.56174256
Cl       9.03084001      10.91700001       3.31443997      -0.25024835       0.13586136       0.39717698
Cl       0.10771987       9.38836998       5.98348006       0.02809588      -0.65925736       0.56055160
Cl       4.74960997       1.37349000      10.02879998      -0.11795990      -0.02516282       0.16523314
Cl       4.86949000       9.38190997       9.36617995      -0.30825114       0.95810983       0.07654675
Cl       9.47085995       1.01834999      10.81739995      -0.35019313       0.68949058       1.03290933
Cl       8.49053996       3.35794003       7.25947999       2.02369838       0.22720227       0.51194341
Cl       5.36277997       6.07375003      10.19400002      -0.31459754      -0.96857438      -0.22561235
Cl       9.42160997       0.87316497       6.32647997       1.33158287      -3.10830781       1.36202465
Cl       6.51032999       2.28046004       1.55676004       0.13314715       0.78368631      -5.26870958
Cl       4.62504999       9.74538004       4.71925003       0.06426184      -0.45891762       0.05911080
Cl       3.47117995       3.11562997       2.87910995      -0.04996225       0.38201580      -0.40873768
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.56289813 stress="-0.014984342586407563 0.0027188676975107187 0.00463930299163182 0.0027188676975107187 -0.018095155736028577 0.0024739659339310716 0.00463930299163182 0.0024739659339310716 -0.006361826572472728" free_energy=-225.56289813 pbc="T T T" config_type=melt 
Li       7.60051000       1.59250005       6.19034004       0.23409661       0.66265245      -0.01100854
Li       1.22463996      11.13129996      10.56180004      -0.02962769       0.10285703       0.01277155
Li       9.47612996      10.31079994       6.38000004       0.12830555      -0.22913917       0.19048242
Li       9.29269999       9.44996997       1.03989000      -0.38478126       0.30574789      -0.57685349
Li       9.84938996       6.06631005       6.55618998       0.41885067      -0.09177697       0.54114832
Li       5.78843998       5.38254003       0.20221993      -0.29000035       0.32830901       0.97050644
Li       5.10884995      10.24930004      10.52800002      -0.22108454       0.55604609      -0.05173917
Li       1.64941000       4.79273997       3.61214003      -0.81167367       0.42850861      -1.31952727
Li       9.99806000       2.64911999       4.34481002      -0.06946718      -0.16042724       0.26350806
Li       4.99940998       4.32502004       5.54176994      -0.42694685       0.66327650       0.79728614
Li       8.33490995       4.37308002       9.88600996       0.41140848      -0.81234806      -0.06724598
Li      10.65639995       2.21061001       8.13453004      -0.46249790      -1.62231772       0.25599250
Li       6.97985004       7.47740002       3.40034996      -0.25978743      -0.28681842       0.05269336
Li       4.54033000      10.58910004       2.53660003       0.22849665      -0.10981936      -0.20315011
Li       3.08801998       7.59992005       0.48460796      -0.06713999       0.45247612       0.88889163
Li       5.78741003      10.56389995       6.28669995      -0.61396325       0.10800343       0.03703356
Li       2.13846002       8.25737003       8.50383004       0.98535960      -0.56782036      -0.75575642
Li       4.66306004       2.84475002       9.46723001      -0.13778556      -0.56571107      -0.01386766
Li       6.85918001       1.82113001       0.82702399       0.23184236      -0.21403060      -0.01320573
Li       4.08168003       7.35105002       4.61053002      -0.08282313       0.08795176       1.46331856
Li       4.15925996       2.90322002       2.91128996       0.68721140      -0.00498309      -0.22219659
Li       1.82192999       4.88857997       6.59850005      -0.13037845       0.04623615       0.12068092
Li       0.64205196       8.28836004       5.35609996      -0.08654891      -1.44897335       0.43374808
Li       1.28089003      10.85989998       3.17492999       0.49347513       0.72063021      -2.20257662
Li       8.34896997       0.10859895       9.45194996       0.13696997      -0.42862516       0.30523776
Li      10.45760005       7.82099998       9.99259005       0.08263485      -0.28096957      -0.43484369
Li      10.44120005       5.88760004       1.32784004      -0.73061921      -0.12989707       0.35539586
Li      10.98629997       2.05287000       1.07409001      -0.32167809      -0.13111250      -0.21362746
Li       1.59252997       4.55972996       9.95294003      -0.36671641       0.10579985       0.02259255
Li       7.71996998       4.19693996       3.45584005      -0.87136581       2.92521628       1.77301453
Li       6.18696002       7.02321001       8.42740995       0.51847191      -1.19464059      -1.05945820
Li       3.51045004       1.21126998       6.43957005       0.11214309       0.35832399       0.11890451
Cl       5.49387998       8.25167996       9.80399003      -0.20003896       0.65799951       1.05562881
Cl       2.65456002       6.80555996      10.06049997      -0.08283707      -1.34454910      -0.42904644
Cl       2.80774997      10.43870004       0.90974004      -0.15604283      -0.00175140       0.07456490
Cl       9.92122995       1.19665004       6.34118004       0.29526340      -0.15929184      -0.99325115
Cl       8.22958004       2.64099995       2.62190000       0.61936763      -3.25663394      -1.55825252
Cl       4.19695004      11.29720002       4.72483004      -0.44874161      -0.55958197      -0.38709635
Cl      11.43418292       2.11489004      10.12859997       1.15902224      -0.80880576       1.47696456
Cl      10.59879997      10.97289995       1.92597005       0.30171488       0.38460578      -0.19631724
Cl       4.02462002       0.24010605       8.54275001       0.05175804      -0.07829692       0.26478146
Cl       8.22946998       2.00407997      10.37849996      -0.00024439       0.37468392       0.35707856
Cl       9.23136002       9.56724004       9.71861003      -1.16617387       0.38168573       0.97672870
Cl       4.05191005       7.29887000       2.64378004       0.04823203       1.01840407      -2.93994092
Cl       7.42847002      11.33680005       7.50818001      -0.44410761      -0.48103215       0.00350309
Cl       1.54438000       6.68512999       4.42981995      -0.46639220      -0.36677396      -0.08853733
Cl       8.47883000       4.54086996       6.42884005      -1.56979116      -0.75868632      -1.25734277
Cl       2.37736003       2.99004005       4.10943001       0.94224769      -1.22211041       1.11817615
Cl       5.83596997       5.29586996       3.77089005       0.31138938       0.17086886      -0.12878298
Cl       3.65220999       6.57619996       6.62349000       0.66024992       0.25949290       0.71526189
Cl      11.19890000       3.59241001       2.73735998      -1.02259890      -1.05131031       1.39626259
Cl       0.79648797       5.25388995       0.98352495       2.63587018       0.99564938      -2.13421963
Cl       3.35170002       3.62727999       7.80248998      -0.21077813      -0.41077462       0.03538637
Cl       8.43094003       6.35404995       1.71134004      -0.84447455       0.70037946       0.17804745
Cl       9.36470003       6.06980998       9.23589999      -0.19131913       0.76448495       0.63020819
Cl       6.21226994       4.34127994       9.95167999       0.09721657       1.20029020      -1.92443448
Cl       0.63763604       9.19879997       9.47353995       0.44795142       1.36459239       0.71189933
Cl      11.09438406       4.04405002       7.77739994       2.29856036       2.60857532      -1.01234518
Cl       6.75516001       9.00417994       5.13446998       0.39826578      -0.83132219      -0.51076519
Cl       0.70982099      10.12429995       4.85035004      -0.44766924       1.68696342       1.40404131
Cl       6.39491002      10.90909997       0.85806904       0.02707108      -0.05956759       0.35651301
Cl       4.89868998       3.01785996       0.61738496      -0.88860648      -0.35690395       1.21590204
Cl      10.73710000       7.98511997       6.90414005      -0.59367310       0.40282180       0.08775557
Cl       5.80610999       2.44235000       5.20295002       0.13492805      -0.79673027       0.04347837
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.47407537 stress="-0.00826202628858133 -0.003918041012772717 0.0019599987974059947 -0.003918041012772717 -0.022943068968042706 0.0068534697719638575 0.0019599987974059947 0.0068534697719638575 -0.01157831034929055" free_energy=-224.47407537 pbc="T T T" config_type=melt 
Li       0.72541700       8.17665003       9.31758997      -0.39709114       0.18523028       0.21358630
Li       6.68036005       3.51032003       7.21915003      -0.00221372      -0.08136421      -0.82652843
Li       0.68965704      10.02310005       0.79728198       0.57500894       0.51191532      -0.41407352
Li       1.55201005       6.73428000       2.28908003      -0.27251592      -0.03393790       0.26658304
Li       1.71557002       8.79944005       6.35495002      -0.24999123       0.06381659       0.15524847
Li       0.32011996       5.87548998       6.49750994       0.71851137       1.24278833      -0.55890040
Li       3.68504002      11.23970000       1.93204004       0.63835615       0.35496151      -0.33054546
Li       9.56804001       8.44481995       2.21915996      -0.72812433       0.35944801       0.26706845
Li       6.52706004      11.29009996       7.09068005       0.03024197       0.00052901       0.34387944
Li       4.55514001       3.10275994       0.35326698       0.73808453      -0.48843050       0.03277675
Li       9.44239999       4.88796996       3.07663996       1.43052750      -2.22609525       1.35209697
Li       4.13616998       8.32727004      10.71920002      -0.19427736       0.36335071       0.20890567
Li       6.14638002       5.64673001       1.95026997      -0.44840297       0.14094839       0.12259777
Li       5.58514998       8.67322005       2.65143004      -1.02845295      -1.04191589       1.79660515
Li       2.38213995       3.72483001       3.23032001      -0.34040636      -0.14872648       0.34225972
Li       9.50509000       9.48015003       7.26869005      -0.04038431       0.67428880      -0.00429597
Li       1.00593005       2.26979998       0.87522705      -0.05071046      -0.69349104      -0.19962462
Li       4.99659997       5.35292000       5.00684996      -0.33585713      -0.41456470       0.68217605
Li       5.30314003       0.48794303       9.93919998      -1.13006586       0.32359879       0.13853834
Li       9.32031996       6.27450000      11.04269999       0.15182441       0.01095181       0.53439428
Li       3.27150005       2.81873997       8.05070001      -0.45393681      -0.41868176       1.03884193
Li       5.88115001       5.39886001       9.24899999       3.10076682       3.91915104      -2.16946761
Li      10.30129995       2.22434995       5.92792003      -0.49854870       0.25928909      -0.07170773
Li       2.15451002       5.23434002      10.38029996       0.97033138      -0.50005441      -0.30289480
Li       1.19649000       0.38272204       8.74451996       0.80630667      -1.13464781       1.13395960
Li       8.84972995       1.23459004       9.44296002       0.56235224       0.44679798      -0.27274072
Li       6.81545994       7.94229000       6.06905002      -0.27248385      -0.34175353      -2.52938034
Li       7.40437004       8.65807998      10.15699998       0.38652478       0.70855445      -0.00536615
Li       7.78300999      11.40090005       1.04966994       0.47501572      -0.46999074       0.00408463
Li       4.36650996       1.10232997       5.14594997      -0.87027484       0.82413492       0.23925447
Li       7.76837996       0.67939399       4.20561005       1.17250086       0.72518575      -0.63459234
Li      10.02870001       4.38939002       8.88795003       0.10456448       0.04833640      -0.19122454
Cl       0.60024104      10.69059996       7.18768999      -0.68795382      -0.77572971      -1.12840843
Cl       0.27372195       6.06791998      10.32430005      -1.38092346      -0.23720264      -0.17988853
Cl      11.25790001       3.90627001       1.64643995       0.14201228       0.15451384       0.11469094
Cl       9.39693999      10.64279999       3.19119001      -0.49471540       0.01746429       0.19347441
Cl       6.22262001       1.28211006       1.66207998      -0.08907025       1.10483827       0.37367284
Cl       7.25025996      11.44186330       9.82526005       0.92321126      -0.88312915       0.36443753
Cl       0.02031986       8.18825005       1.36829003       2.29390959      -1.52680467       1.85590780
Cl      11.14200003       4.05602997       7.02175003      -0.97519406      -0.51401921      -0.60667572
Cl      10.64080005      11.29809996       0.01362060      -0.15887763       1.45625350      -0.61752326
Cl       3.64893006       1.30815002      11.10970000      -1.37958073      -0.56008773       0.53378987
Cl       3.97384999       4.47499002       1.87069995       0.13686167       0.68605178       0.07596188
Cl       8.27588002       6.14872997       2.24049005      -0.63806804       1.51638178      -1.63426458
Cl       4.28256999       3.24781003       6.30101000       0.62366533       1.09448777      -1.80486018
Cl       1.62264996       5.55340997       4.37097999      -0.20385024       0.01771465       0.25885570
Cl       6.08730998       9.67985996       1.12474997       0.30328979       1.03463104      -2.07550445
Cl       5.97610004       7.10660004      10.60200000      -0.25431735      -0.42402192       0.34649576
Cl       6.01607002      11.35699999       4.88075996      -0.88374614      -1.69549574      -0.23837036
Cl       8.08381997       1.49603994       6.61874001       0.41890737      -2.65640293       3.20891580
Cl       0.91335404       2.33363997       8.83002996       0.54016678       1.07620680       1.28181218
Cl       4.81572000       4.11563001       9.79977003      -4.79997978      -3.62637486       1.52054450
Cl       7.64834998       3.99684998       9.15191003       2.11015136      -0.18432143       0.62343780
Cl      10.37690000       7.62794001       6.92816998       0.40629078      -0.65007028      -0.11020036
Cl       9.34781005       8.41617003      11.37320005      -2.37336303       0.16129753      -2.11605475
Cl       6.31018005       6.16942002       6.80806995      -0.65831360      -2.42971005       1.40055257
Cl       7.26976999       8.96972004       7.61969994       0.72007422       2.08899419       1.98334903
Cl       2.50804996       1.33041996       3.24418995      -0.00934840      -0.11782429      -0.01038899
Cl       2.28545995       9.58986995      10.31189994       0.00141858       0.37216096       0.67920164
Cl       8.33679995       3.26650001       4.89881001       0.66758170       2.59317110      -2.98142063
Cl       2.26114995       7.41525996       8.02683000       0.73480753      -0.80904174      -0.86614048
Cl       4.48694004       0.75167696       7.88324001      -0.21202322      -0.80474934       0.00605945
Cl       5.87244002       7.01244001       3.98853001       0.59019754       0.21331310      -0.21322184
Cl       3.30519001       7.93909994       2.68367998       0.03959949       1.13788209      -0.59975152
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.12094504 stress="-0.014628459656524779 -0.0009850368863901975 -0.0016809670887940097 -0.0009850368863901975 -0.010173787426670206 -0.002895848584835373 -0.0016809670887940097 -0.002895848584835373 -0.014807309257923233" free_energy=-225.12094504 pbc="T T T" config_type=melt 
Li       7.95284000      10.16979996       5.78274005      -1.85578646       0.83273329       0.39574870
Li       6.12093001       1.60802005       6.03454998      -0.42620315       0.20452298      -0.42784966
Li      11.43179995       3.67010000       3.02418996      -0.45374497       0.02655294       0.08977169
Li       8.15358000       9.99753998      10.82459997      -0.21481271       0.18609063       0.32337479
Li       7.72843004       6.81631002      10.49300003      -0.62272684       0.41467820      -0.10554460
Li       9.85209002       4.24396999      10.60660004       0.70109503      -0.07262120       0.02031958
Li      10.09450005       7.67293994       2.38859995      -0.86847210       0.62364273       0.37335197
Li       5.41371004       4.27132995       8.87925999       0.09594285       0.08215515      -0.38135090
Li       0.01615455       9.55191000      11.33140003       0.93186329       0.24519194      -0.39893849
Li       6.78839003       9.05445001       3.38811998       0.01985549      -0.32477630      -0.35637631
Li       3.30611999       3.75204999       0.64985203      -0.12434526      -0.27833524       0.28063212
Li       6.77618997       2.12972000       2.56153999      -0.19657687      -0.77643237       0.49002845
Li      11.33159996       0.24481993       7.83439003       0.71674586      -2.03507276      -0.21275137
Li       2.92683999      10.16700004       5.77402995       1.01333248       0.94864641       1.03857230
Li      10.05560002       4.16574003       7.15436000      -0.61859940       1.07200253       3.38191664
Li       2.55463999       8.49334997       8.65890002      -0.97553066      -1.21379665       0.75692577
Li       7.35058995       2.26722005      10.61860004      -0.11186995      -0.36099086      -0.10212876
Li       0.30495398      10.66909997       3.23057004       0.71220116      -0.79963257      -0.05021474
Li       3.64236997       0.86050497       8.12008000       0.34375877       0.13539948       0.05427453
Li       0.83301798       1.04664005      10.95309999       0.03967127       0.49009682       0.31306928
Li       9.72323002       1.44902997       5.10684003      -0.01082716       0.08204552       1.43117256
Li       9.42248997       1.03654999       1.82196003      -0.82640819       0.01882269       0.14230672
Li       5.74851998       8.68981001       7.58390995      -0.48343588      -0.78980208       2.18472279
Li       7.61466999       5.38650003       2.27197005      -1.98901530      -2.19545453      -2.50032446
Li       2.03726998       4.70021004       9.23668002      -0.23612428       0.23209842       0.00418073
Li       1.56552999       6.24523995       1.08878997       1.85459724       0.40229215      -0.81955837
Li       6.87486005       6.07261999       5.71420005      -0.35114059      -0.02920080      -0.21067892
Li       4.12293000       4.01724000       4.28937003      -2.33108121      -0.75874508      -2.88959273
Li       4.68891005       8.58670004       0.43636398      -0.28524406       0.00409121      -0.20023296
Li       4.25756995       0.23778098       2.57160999      -0.43205736      -0.96035726       0.53695503
Li       2.11124004       6.59503004       4.61186000       0.36539892      -0.46520778      -0.52197427
Li      10.63430003       7.86865997       7.13540003      -1.06132773      -0.38443892      -0.65977604
Cl       8.35713999       7.19212001       6.69801997       1.33503500      -0.57486170       1.18772277
Cl       6.14725005       9.02500997       5.71533995      -0.40646028       0.63815900      -2.89651991
Cl       5.11033996       6.39922002       8.18922004      -0.47079619       0.05188444       0.14809473
Cl       6.68551004       8.73774996       9.68705999       0.58031483       0.57816328       0.02695314
Cl       0.56777604       3.73438996       0.14632400       0.29210236      -0.55021276       0.04868893
Cl       3.95006001       6.36269001       3.27723998       0.10714658      -0.00506033      -0.77918448
Cl       2.16340997      10.07609999       1.41662997      -0.38534210       0.81355776      -0.02712259
Cl       1.90881995       3.96312998       3.83188002       0.26548856      -0.08290648       0.23807470
Cl      10.85889995       1.11230997       3.41267004       1.10295366       0.20409294      -0.82627374
Cl      11.31460004       6.10685004       2.02685996      -0.62868012      -0.62449263       0.73706791
Cl       2.16411995       8.83863998       4.50967004      -1.21831497      -0.56363619      -0.43066700
Cl       9.63636999       9.13166996       0.78318000      -0.12035897      -1.88563239       0.59970911
Cl       9.87945996       1.45926001       7.60987001      -2.19222883       1.18455726       0.34817044
Cl       7.36539000      11.16851015       1.74766003      -0.65134294       0.27871566      -0.12182403
Cl       1.50257000       0.87624600       8.89285995       0.98232125       0.41725164       0.29034505
Cl       4.23028003       0.54414002       5.07452005      -0.34476493      -0.03474619       0.01197832
Cl       4.56262000       2.20436003       2.01245004       0.08064669       1.25690230      -0.56161721
Cl       3.00873003       7.58314998      10.89720005      -0.79760767      -0.83286669      -0.23117561
Cl      10.38340002       3.52646002       5.49199995       0.76546751      -0.05868604      -4.26991324
Cl       7.67388002       1.27482004       4.59132999      -0.59026657      -0.16951550      -0.24067659
Cl       8.47288004       6.49169996       3.41892003       1.47426541       2.24592850       2.91330780
Cl       0.00531988       5.28063004       8.64281999      -0.62712409       0.27664388      -0.10768344
Cl       3.52267004       3.30685004       9.89127000       0.66044070      -0.07479456       0.31445664
Cl       3.79029999       9.99829995       8.24998004       0.98765922       1.16983028      -0.83908026
Cl       7.53298000       4.43865994      10.39060005       0.00006625       1.18170936      -1.09040373
Cl       5.23386999       4.57478004       5.62712002       2.54574604       0.02822213       2.52883270
Cl       6.13729000       2.01422002       8.10443000      -0.12688118      -0.11936832       1.23033502
Cl       6.55566996       7.92005995       1.25229995       0.14315545      -0.55976947       0.43548844
Cl       8.24397998       3.15079000       1.38720002       0.71494825      -0.09499578       0.53108295
Cl      10.27590004       0.27877105       0.02461989       0.51430030       1.00510628      -1.33590688
Cl       9.81131995       9.84826004       5.64730002       3.01061146      -0.11329019      -0.77499392
Cl       0.20340098       9.11345998       8.43957997       0.67836709       0.45791181       0.96270292
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.44151982 stress="-0.017880372424667952 -0.00045232679755253114 -0.002919826621651824 -0.00045232679755253114 -0.014504737011076976 0.005552053359484398 -0.002919826621651824 0.005552053359484398 -0.0070214229404888355" free_energy=-224.44151982 pbc="T T T" config_type=melt 
Li       4.26514004       8.19772000       1.73468005       0.28382100       0.14227916      -0.24650886
Li       2.78391997       4.01984996       9.04422995       0.06443712       0.31704422      -0.14468021
Li      11.30819999       2.30294000       9.17882002       0.05849802      -0.03131906       0.28177530
Li       8.82002004       5.38708998       5.91171997       0.40364271       0.25117724      -0.07941122
Li       5.30623000      10.79930003       4.37703004      -2.02170411       1.95687777       1.38256351
Li       1.14443001       7.36108000       1.39915004       0.29510863      -0.49081135       0.09349427
Li      11.17349998       9.86783002       8.24146999       0.25030875      -0.12835725      -0.15857245
Li       5.53687997       4.74656999       0.06521995       0.02158792      -0.02874184      -0.19982290
Li       9.21501000       5.20902001       9.38647001       0.69095685      -0.36066201       0.72777302
Li      11.44913509      11.30740105       2.76219998       0.07497944       0.03323654      -0.73012249
Li       0.81613396       8.88746004       4.97015005      -0.10679343      -0.09934332       0.24811907
Li       8.16026001       6.70280000       1.46146001       0.75889770       0.54003378       0.09192117
Li       4.06459997       3.83817998       5.90752003       1.64440785       0.12612730      -0.16339422
Li       1.46103995       5.65872004       5.65777000      -0.94341898       2.19301337      -0.62513242
Li       7.41769004      11.31410410       8.32948001      -0.19521298      -0.25991164      -0.16500291
Li       7.54622996      10.50949999       2.37591003       0.57897313      -0.30923395      -0.35049283
Li       6.39912005       9.60564996      10.49660004       1.45258047       1.72788807      -1.02891240
Li       6.02847002       6.98506995       8.69463005       0.27960456       1.18394683       0.07174904
Li       9.96024003       1.44806996       6.31253000      -2.75368463      -0.16304789      -1.01583998
Li       8.80957998       1.19416997      11.36319999      -0.25110649       0.18881160      -0.29417546
Li       6.39154996       6.91598001       4.55429005      -2.60071743      -0.38053433       0.27476173
Li       2.24494003      11.08780001      11.45300004      -0.08525552      -0.89695702      -0.37735879
Li       3.59166002       8.70765003       6.45752999       0.35904039       0.59901145       0.62863531
Li       2.33895996       0.87705996       6.88029996       0.31444537      -0.15475165      -0.02771825
Li       6.40151998       2.97973996       7.75051001      -0.09056009       0.10349345       0.26430139
Li       0.19071988       3.86841003       0.74650095      -0.31534758      -0.18095991      -0.02291872
Li       4.83229999       0.85617204       1.36619998      -0.14583917      -0.10405381      -0.28574609
Li       8.66920996       9.12800002       5.55208000       0.09504342      -0.62715550      -0.43721339
Li       2.85486002       7.92968995       9.71696995       0.68151486      -0.49622508       0.89673421
Li       3.16992996       4.70589002       1.48243998      -0.31624818      -1.26464563       1.98574318
Li       7.00620997       2.84179005       3.71902003       1.00799005      -1.19173312      -1.20830495
Li       1.88337005       2.72968006       4.03591004      -0.02046164       0.28972638      -0.37306269
Cl       3.08594001       6.12160996       0.22596795      -0.66975616       2.21682369      -0.65171905
Cl       9.27046995       4.25354002       0.16551990      -0.00446837       0.57241221      -0.23935650
Cl       4.13849999       6.33301002       8.81343003      -1.88919319       1.45658074      -2.12899215
Cl       4.82060000       8.69763002      10.97670002      -2.57047573      -1.54676708      -0.60317612
Cl       6.11328001       9.65585995       7.15030004      -0.51092148       0.28582243       2.11294338
Cl       9.79582001       3.30832996       5.30021997      -0.50665972       0.64794620      -0.45898160
Cl       2.89279005       7.43463998       4.89490998      -0.76635408      -0.61470715      -0.25131936
Cl       0.13756700       1.29394005       7.17340996       3.01331360      -0.55720059       1.76988609
Cl       8.64258004       1.72919004       8.72713002      -0.10173369       0.61938072      -0.08998176
Cl       0.98769003       1.04306996      10.79740005      -0.90200614       1.15285683      -0.67772055
Cl       4.82604003       4.00588005       9.73049998       1.22679017      -3.24380430       0.16122260
Cl       6.24567995       5.96186003       1.59274000      -0.95560801      -0.27822653       0.91053865
Cl       3.27982002       2.65526003       2.08127000       0.23125302      -0.71077334       0.21256183
Cl       5.57419001       9.00265004       4.57436997       0.33795149      -3.68931363      -1.65515223
Cl       9.06795998       9.98992002       7.45511002       0.77649257       0.73590598       0.92194096
Cl       1.93587003       9.11635001       8.30574000      -0.58284858       0.85249607      -0.70587834
Cl      10.55299994       7.21288996       6.64033000       0.66034277      -0.47255780      -0.23143849
Cl       3.47890997      10.46540000       1.48863001       0.96645570       0.38627521       1.75449780
Cl       0.87229598       4.36592000      10.01899997      -0.72780271      -0.03552514      -0.29496203
Cl       0.73863795       9.36998999       0.70241105      -0.72958401      -0.38394562      -0.00841324
Cl       7.63079003       5.76706001       8.12184997       0.21623927      -0.56518147      -0.72275676
Cl       7.44874001       9.02109996       0.70823502       1.97269136      -0.70497349       1.34737659
Cl       8.23913001       7.08826005       4.18317995       2.72457870      -0.03493514      -0.58946739
Cl      10.37149998      10.08269998       4.12281995      -0.55509459      -0.42516664       0.33758951
Cl       6.19500004       3.96500003       5.10236002      -0.38159571       1.93114436       1.11538266
Cl       2.04605999      10.86142611       5.21117003       0.45302352       0.15053449      -0.42174456
Cl       6.19909003       0.54096602       3.18151003       1.27816658       2.34679321      -0.96227490
Cl       9.83294995       1.30952998       1.84188999       0.15215759      -0.15292429       0.38366726
Cl       2.08218004       3.83238995       6.03807995      -0.91443055      -1.64706826       0.95074552
Cl       6.55757005       0.51169301      11.10050003      -0.08746612       0.16875596      -0.18176912
Cl       1.30715997       5.19297002       3.13433005      -0.51122656      -0.12527957      -0.81807319
Cl       4.60551005       1.79941999       6.55446002      -0.11171896      -0.81960085       0.70164449
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.60745011 stress="-0.017610062220176418 0.0012359723418078727 0.005465184996662761 0.0012359723418078727 -0.008751873044432831 -0.002248496241445093 0.005465184996662761 -0.002248496241445093 -0.006103358377004224" free_energy=-221.60745011 pbc="T T T" config_type=melt 
Li       2.40345995       7.34592995       4.19938001       1.87703373      -0.62676493      -0.45973901
Li       6.07148996       3.87852003       9.78354005      -0.20676758      -0.38183422      -0.44716818
Li       8.92854000       1.68292995       4.65734006      -0.11484670      -0.43486184       0.26844425
Li       6.51090997       9.14626995       9.08720002       0.06944664       0.39222216       0.18269781
Li       4.57748000       3.29398001       2.81965001      -0.67289802       0.05357274      -0.20811570
Li      10.61790003       9.43776005       9.23633998       3.82449222       0.75137535      -0.32913179
Li      10.34450000       7.27350998       5.07058001      -0.36342776       0.42830521       0.56612545
Li       7.54400004       3.26391000       1.89008995       0.34948246       0.09428691      -0.19705528
Li       2.65232998       8.98204001       7.88676000       0.40603424      -0.28346980      -0.99889007
Li       8.67135997      10.04690001       6.98285001       0.64530365      -1.92085815       0.16958193
Li       0.27923902       3.91822003       7.58982002       0.34668428       0.20534564      -0.36111653
Li       8.89754999       8.66941998       1.68739001       0.54997569       0.07362519      -0.03795072
Li       3.79267998       2.59748005       5.61507003       0.08775852       0.20169823       0.02396733
Li       0.44725195       1.06977004       8.42849997       2.63517702       0.62681438       1.55582974
Li       7.59220000      11.24500005      11.30419999       0.03540026       0.45069763      -0.50893107
Li      10.34700001       5.48354997       2.06987004      -0.42196826       0.30527800      -0.29018022
Li       6.83293999      10.89749995       4.11726000       0.74175056      -0.59113598       0.76454364
Li       8.09872996       6.36256000      10.54349995       2.35022603      -1.39524635      -0.29606282
Li       9.07692997       2.94482000       8.97910000      -0.20879400      -0.32710892       0.29951281
Li      11.04719995       1.54336002       1.81212998       0.51914935      -0.90016060      -0.74996851
Li       6.76612995       7.05082001       4.28946002       1.49081961       0.25012669      -1.14696170
Li       4.97100998       6.62356005       7.63290003       0.40433516      -0.63504762      -0.20316159
Li       4.76793998       6.45902000       0.51070903       1.44871920       0.47927563      -0.41303930
Li       7.88971997       4.38438002       6.05661998       0.80716872      -0.06867194       0.90312462
Li       0.67828000       6.41460004      10.34539994      -0.66308394      -0.15985115       0.75612430
Li       2.77200996       3.37946995      10.04039999      -0.13504259      -0.18953611      -0.00766940
Li       1.29438005       9.11618997       0.14702997       0.19611984       0.10693054       0.53922498
Li       5.31951997       0.80339600       7.71775003       1.13842456       1.39609619       0.19035427
Li       3.57316997      10.90839996      10.33619997       1.03297389      -1.22373567       0.23534505
Li       0.76929699       3.74514999       4.02023997       0.72823016      -0.11230630       0.59606961
Li       1.20573995      11.08930000       3.55483996       0.80560843      -0.57758684       0.05410667
Li       4.69946005       9.88793000       1.90874004      -0.59930966      -0.28363363       0.55216897
Cl      11.44659999       3.62098003       9.80744995      -0.55353458      -0.70798246      -0.14518785
Cl       5.45517003       7.53342997       5.63738995      -1.92716882       0.61826588       2.27972964
Cl       7.29425998       1.28610994       9.38361001       0.11715839       0.37327022       1.15798618
Cl       7.18461997       4.98274998       7.98998002       0.13082336       0.34628535       0.42146462
Cl       5.37100995      10.81090004       0.15844300       0.95976184       0.52709779      -0.34256944
Cl       2.18617000       1.40162999       2.39248004      -1.04816766      -0.03610796       0.19811301
Cl       1.82497995       2.22433998       6.38987996      -0.61452327       0.27091816      -0.20055437
Cl       1.65581005       9.70665004       9.49036000      -1.58590879      -1.41126149       1.01028223
Cl       4.47867005       3.11897995       8.46634001      -0.29244715      -0.06226014      -0.67023629
Cl       0.75237995       8.38462996       4.47983001      -1.82969736       0.61654791      -0.01584082
Cl       2.79838996       4.95160004       3.97269004      -0.00571656      -0.34330275       0.12719498
Cl       3.83272998       4.72246003       0.56579295      -0.50643246      -2.22814516      -0.03088712
Cl       3.58035004       9.45733003       3.74032995      -0.12452906       0.32843412       0.30620335
Cl       5.38735996       0.87071001       3.70100999      -1.11942416       1.67690436       0.25258345
Cl      10.31450004       8.88827997       7.26049997       2.33549006      -1.87347833      -1.61558686
Cl       7.87871999       0.25446598       6.72874000      -3.81164568       3.07656020      -2.36295927
Cl       6.52921005       7.41536004      10.59509999      -2.94401510       1.27351195       0.04942178
Cl       8.37053004       6.70781998       2.57767001       0.34550871       0.13176437      -0.26449064
Cl       4.54991001      10.45459996       8.13741995      -0.11892850      -2.05883517       0.07082463
Cl       2.38497999       0.86697300       9.75079004      -1.18244883       3.36164201       0.04944317
Cl       8.84399002       9.20456994       9.53129000      -5.05652637       0.33958416       2.29774310
Cl      10.46270005       3.31590006       2.76465998      -0.42704368       0.58355234       0.10092024
Cl      10.41299999       0.70804001       7.35900003      -0.35332277       0.52507704      -0.90990083
Cl      10.75609998      10.14179995       1.03653004       0.15427865       0.10832352       0.21793548
Cl       3.68407002       8.11498000       0.79887300      -1.72115695       1.05994790      -0.12351083
Cl       8.19446002       1.01352995       2.32316998       0.56454272      -0.03724967      -0.05188196
Cl       6.81274004       4.91887995       4.47536995      -1.22494200      -1.79281883      -1.57915642
Cl      10.14410003       4.77325000       5.68558005       0.53838789      -0.03688694       0.29641008
Cl       1.83533999       5.99330999       8.80800995       1.62567670       0.09193867      -1.72636566
Cl      10.26999995       6.43835999      11.43050002       0.36651374       0.41758839       0.24543962
Cl       7.62474996       4.24982995      11.17099996       0.56989043      -0.50582776       1.33040847
Cl       8.36663998       9.19263001       4.87624005      -0.36462846      -0.33689810      -1.37505523
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.65404584 stress="-0.010384592830778125 0.004753186341089817 0.005427181683414064 0.004753186341089817 -0.006811696225195599 -0.0014401926167464897 0.005427181683414064 -0.0014401926167464897 -0.0041925799021121255" free_energy=-225.65404584 pbc="T T T" config_type=melt 
Li       6.95884003      10.09230005       9.45408002      -4.47357297       1.59042707       0.67317379
Li       2.53744001       4.78664005       5.71844997       0.04339090       0.14448009       0.38022185
Li       0.17863997       1.97619002       5.95642997      -1.74417051       0.23977267      -0.96797552
Li       4.14610000       7.14439995       2.48134999      -1.28095362       1.84394904      -0.02599846
Li       9.20955003      10.83149998       6.48666003      -0.79011879       0.32494393       0.37080000
Li       2.84831999       1.13116997      11.24950001       0.44018440       0.08959129      -0.10228441
Li       9.07638003       7.89661997       8.18902996       0.31292550      -0.90953180      -1.13300728
Li       5.10540000       3.56767995       1.79025006      -0.17967584      -0.47914874      -0.28196452
Li       9.74517999       0.06881996       0.87581299      -3.55979017       2.48732804       1.85943034
Li       7.14605997       6.91315005       1.57185002       0.36602828       0.43046365       0.20069078
Li       0.39704505       6.62920001       7.77081004      -0.41916049       0.12240994       0.53694589
Li      11.41541348       7.62738995       0.85847304      -0.43652544       0.98533846      -0.60608816
Li       5.28957000       9.39984997       6.15690997      -0.16528971      -0.19556146      -0.07945805
Li       2.85808997       0.67522902       7.73854005       2.15838985      -3.38597352       3.42459704
Li       2.01138994       5.34222005      11.21160002      -0.22405104       0.04576527      -0.12234979
Li       4.66400000       4.55092998       8.88242000       0.05339856       1.06029691      -1.39463512
Li       3.63224001       1.73980998       3.94298001       0.48118128      -0.63401841       1.13535127
Li       3.82815997       8.67204003      10.37329999       0.44755145       0.50057381      -0.19484917
Li       8.54027005       9.37338995       4.00128000      -0.50243297      -0.61082697      -0.18165960
Li       8.61646005       4.99424005       9.76760000      -0.97166090      -0.46840855       1.28966872
Li       5.76482998      11.31409710       2.17610998       0.00870760       0.46956074      -0.47265498
Li       6.20024999       2.14158003       6.39861001       0.43035319      -0.07850285       0.61921310
Li       2.07771997       9.87906994       2.39724001      -0.03768056       0.26768032      -0.73729231
Li       6.33512999       5.77861005       5.06887997       0.19549162      -0.04047049      -0.21252147
Li       0.26582696      10.13809996       9.17751997      -0.24784348      -0.26844941       0.07317584
Li      10.37470001       5.19571996       3.37787997      -0.28944903       0.65989329       0.23656509
Li       9.71830004       3.89141999       6.95683997      -1.34140241      -0.62740161       0.07670852
Li       1.58589995       8.89351995       6.19750005      -0.05275705       0.36956571      -0.42607448
Li       0.86204003       3.22919995       1.86927001       0.33752146      -0.15714192      -0.27452809
Li      10.87550000       2.60941001      10.36279997       1.16896378      -0.62078341      -0.42304238
Li       8.75095005       2.64762997       3.47372995      -0.28358331      -0.63913727       0.07053429
Li       6.23672004       1.50520999      10.14950005      -0.39917008       0.11550010      -0.02592646
Cl      11.10410004      10.57339994       0.21934802       2.78954279      -2.49322829      -0.48184257
Cl       4.75172994       6.47993004       6.25049999      -0.19434782       0.43892109      -0.13357771
Cl      11.22639995       4.65712006       5.82869003       1.16513363      -0.00994164      -1.86042860
Cl       7.65468996       8.93448996       6.16806001      -0.29011161       0.09731797      -0.34716379
Cl       6.12725004       0.40560004       8.05861999      -0.29611723      -0.40015324      -0.00282912
Cl       4.55561005       3.25643999      10.38529999       1.11867305      -1.01977807       1.91796394
Cl       2.87092996       9.75897003       4.36570998      -0.08607701      -0.31824500       0.05784781
Cl       2.89642996       1.38039998       2.04829002      -0.43467679      -0.89441802      -1.20508223
Cl       5.00019001      10.95719996      11.32619994      -0.49459645      -0.40127670      -0.43903164
Cl       3.01433996       9.69074002       7.60258996       0.70506633       0.00083473       0.72578091
Cl       8.99075000       1.66413002       6.37641000       0.67243156       0.17910280       0.30244199
Cl       0.54135798       5.76745003       1.60950995       0.99676255      -0.96803457       1.11691537
Cl       5.41191003       5.66741994       2.38978995       1.03796620      -1.26763084       0.10641208
Cl       9.75598003       5.67988001       8.24463000       0.14211499       0.69126343      -0.12796066
Cl       6.39579002       7.33009996      11.01380003      -0.14271206      -0.05752211      -0.62880494
Cl       2.72359000       7.97459003       0.66644795       0.05267095      -0.00309810       0.82101909
Cl       2.98195005       3.72391000       3.86895997      -0.30209521       1.34398416      -0.13628432
Cl       1.77418998       3.14596996      10.58850000      -1.60530042       1.22273669       0.82435066
Cl      10.52250003       1.19789999       3.42830996       0.18382667       0.28378549      -0.41132157
Cl       6.26528994       9.41541995       3.05407997       0.28046392      -0.62750048       0.11829107
Cl      10.14399994       3.98739997       0.23091605      -1.51040468      -0.01849930      -0.01825904
Cl       7.93305001       4.59150001       4.10314002       0.78830022      -0.21071203      -0.05172675
Cl       2.20634003       5.52508999       7.82112998       0.46382405      -0.19078067       0.68104983
Cl       2.02843996       1.78346997       6.63223002      -0.67556677       2.91716597      -2.81998891
Cl       0.31238203       8.02314997       9.86978995       0.08540669      -0.95809755      -0.26583051
Cl       9.44881001       7.49768997       2.79894001      -0.05014937       0.22675403      -0.16354996
Cl      10.70130004       9.33686005       6.78114002       1.64025234      -0.57178846      -0.21399980
Cl       8.62215998       9.48366005       9.25463996       3.81301498       0.19562672       0.93452125
Cl       6.60334004       3.71951998       7.98528999       0.59989643       0.59094368      -0.12440798
Cl       1.37980005       0.46375799       9.72635003       0.18990045      -0.37507387      -1.13488189
Cl       7.37268999       1.45398002       0.70094798       0.63989035       0.09605853       0.52050628
Cl       5.93097996       1.38324003       4.40232001      -0.32778224      -0.13090028      -0.84489454
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.32656164 stress="-0.017520950484212684 0.0018365379770245117 0.003720486057912649 0.0018365379770245117 -0.02149208670440237 0.003597360281741043 0.003720486057912649 0.003597360281741043 -0.015032022429571081" free_energy=-220.32656164 pbc="T T T" config_type=melt 
Li      10.40909995       7.36750997       2.74671999      -0.14513418      -0.22757477       0.15207717
Li      10.36599999       3.25919005       1.39362999      -1.12616694      -2.32237553       2.90974466
Li       7.83117005       0.17956995       2.49665996       0.26347876       0.61577217      -0.23510425
Li       4.18735994      10.67290003       1.99866001      -1.27480612       0.14280416       0.44175870
Li       3.89800002       1.82763003      10.37800000      -0.65591393       0.41154507       0.43285764
Li       1.91130999       1.88316002       2.95711005      -0.39812529      -0.19901339      -0.10583927
Li      10.68299995       4.37598002       9.22006999      -0.05796376      -0.05641110      -0.43019783
Li       0.21103103      10.39269996       3.22144001      -0.78704421       0.57694850       0.77883170
Li       3.26676002       7.48418000       3.38564002       0.68268014      -0.74952299       0.54720696
Li       7.58305001       4.97495003       2.82614005      -0.97236612       0.04949774      -0.79672117
Li       9.53454001      11.30759995       7.85988005       0.87198344       0.63976793       0.31841207
Li       7.46689003       8.07188004       1.86523998      -3.20260284       3.04948875       0.62592749
Li       7.24388995       5.87992000      10.06599996      -0.06937667       0.14994475       0.42192310
Li       5.70002000      10.19999997      11.10219995       0.01708485       0.15573586      -0.53900878
Li       9.13610996       9.53181002       0.13131989      -0.31111138      -0.52539748      -1.23974918
Li       4.41494001       4.39625002       1.52796005      -0.77588553       0.06225382       1.32340204
Li       2.20363996       8.47745004       0.88138601      -0.04441501       1.67489604      -1.16990473
Li      11.44089640       7.71968004       7.76608000      -1.86360725      -3.12956913       1.37184225
Li       8.73119996       5.48966995       6.60886995       1.53796652      -1.53429243      -0.44255587
Li       9.44059001       2.48627998       4.87662995       2.05736740       0.36896857       0.41274654
Li       2.10944003       9.83570997       9.46266998      -0.16735862       0.05458129      -0.36096065
Li       5.14167998      11.31669995       7.01503002      -0.01234613       3.23827963       0.03463049
Li       4.60591003       6.34103995       7.17652997       0.06195851       0.24545952       0.03058083
Li       4.80797003       2.93860005       5.51260997       2.31363986      -0.72068184      -0.09170760
Li      11.35663107       0.16301988      11.33510001       0.50685939       0.02866299       0.10907385
Li       7.25469996       1.78276996      10.17570005       0.23184352      -0.14191916       0.04912919
Li       2.17834999       9.63802004       5.71618005       1.01649880      -0.32779490      -1.16422734
Li       1.19065995       5.37829997       0.07591990       0.39994734       0.24993541      -0.64786929
Li       1.20339998       4.92494994       4.06666996       1.76034162       2.57255062       0.44638295
Li       6.54079998       9.14387999       5.30825998      -0.18112048      -0.40311556      -0.03712772
Li       7.34853005       8.82140000       8.41122995      -0.07909253      -0.29874937       0.00236802
Li       2.13833002       1.39277005       7.17001998      -1.63002887      -0.91593797      -0.07428515
Cl       8.00656998       1.96806001       0.92841202       0.00011565      -0.28316816      -0.07544209
Cl       3.15611998       2.77448005       0.87685200      -0.87712833      -0.51940061       0.06022142
Cl       7.19243998       6.56919998       7.12635998      -2.90593599       1.27264367       0.32696686
Cl       5.32516005       9.49522005       7.33976997      -1.08979061      -3.61481822       0.37183523
Cl       1.19789002      11.43739142       5.25108005      -0.50222513       1.59759676       0.43364788
Cl       1.10056997       9.05743003       7.26057002       1.26443974       5.31769773       3.25410252
Cl       3.76677002       9.32883999       4.10451000       1.24090870       0.52002157       1.45131733
Cl       6.16217998      10.25850001       1.88673997       1.78050094       0.22651528       0.14853031
Cl      10.73260004       4.34320995      11.43920003       0.94097881       1.77794630      -2.16234038
Cl       0.88318005       0.36741195       9.19097996      -0.00599478       0.84574590      -0.09932698
Cl       3.43136003      10.28919998      11.37789995       0.49143011      -0.35281893      -0.93619223
Cl       5.88669000       4.47090002       0.21882605       1.57469300       0.54110806      -1.42430209
Cl       8.00533001      10.76030004       9.34629000       1.26275501       0.69365099       3.08779440
Cl       0.14081300       3.38453005       4.21548996      -1.17193000      -2.23180338       0.24099979
Cl       9.80498994       9.83948000       2.13389002      -0.30851412      -0.26363176       0.75499844
Cl       5.96688998       7.27610997       3.12759994      -0.63131210      -0.91348890       0.78499542
Cl       0.53991898       8.84629995      10.63980002      -0.91010378      -0.16160684       0.86652615
Cl       1.73453996       6.86952996       2.02725995      -0.93245898      -1.62309558       0.35329761
Cl       9.34778001       6.18520003       9.31809005       0.49185463       0.67261252      -0.49803813
Cl       8.69864003       6.84194002       1.46112995       3.42285192      -3.18815838      -1.75361346
Cl       9.00785998       5.41601997       4.21366003       1.28805745       0.60097673       1.26566909
Cl       3.80726999       2.54342001       7.15880000       0.13425670      -0.02672694       1.50468770
Cl       7.51076005       2.55750996       4.70357997      -2.58856159      -0.55740568      -0.47972993
Cl       6.66476003       8.23108003      10.64549994      -0.04060732      -0.60611317      -0.01273892
Cl       8.06225004      10.37710005       6.72547005       0.24338905      -0.54064503      -3.46764418
Cl      11.06670000       1.26116000       1.97814995       0.24351644      -0.16667142      -0.38847114
Cl       3.86727002       3.94065999       4.18491003      -1.34853920       1.58361101      -2.20113596
Cl       1.85828999       5.84119997       9.23010995      -0.04339971      -0.28964299       0.27067506
Cl       2.01690999      10.74110000       2.44921997       0.13703964       0.57510405      -1.48987359
Cl       1.28186002       7.10625003       5.80751998       0.31085738      -3.64791004      -3.27844437
Cl       9.10316999       3.06415994       7.80380998       0.32803269      -0.12028217       0.07809429
Cl       5.31824996       0.65757506       9.37222002       0.23363950       0.14742043      -0.06070285
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.54455751 stress="-0.018202415739556898 -6.058489353784984e-05 -0.004153438605712052 -6.058489353784984e-05 -0.030794821020022217 0.0019475570917031322 -0.004153438605712052 0.0019475570917031322 -0.025820832374487734" free_energy=-221.54455751 pbc="T T T" config_type=melt 
Li       2.06043001       2.23466001       6.70640999      -0.09267416       0.78433732       0.28367199
Li       9.81727002       1.72626000       0.36799697       2.43444674      -0.74745058       2.67471077
Li       3.26143005       8.11265000       5.50640998      -0.38796886      -0.73671824      -0.06642900
Li       7.06990001       4.12691006       6.19172996      -0.06864720      -0.62689536      -0.10748306
Li       4.17986999       1.13556996       9.43746003      -0.67697620       1.15413749      -0.90836301
Li       7.79910996       6.75497005       6.06078003       0.09372481       0.20618611       0.72198627
Li       2.22974000      10.08519999       8.75137996       0.11130991      -0.26703476      -0.47477882
Li       9.90617999      10.39269996       2.48327003      -1.48134554      -0.52227903       0.38069685
Li      10.50210003       4.50977001       5.26566995      -0.99207519      -2.58444072      -0.97543699
Li       2.19855005       5.50011001       3.53723002      -0.32495722      -0.20143895      -0.43050617
Li       4.34771003      11.19349998       5.87328998      -0.45615912       1.83132406       1.29358963
Li       3.85817999       2.19993000       3.63967999       0.48713780       1.19330625       0.81395871
Li       4.98387004       4.50502999       8.75168995      -2.13433905       1.43312711      -0.94932182
Li       6.34207001       9.22930997       8.42695998      -1.22637019      -1.32736273       0.90463881
Li       4.94172998       5.67604005       2.66026006       0.11170249       1.26987446       0.17720449
Li      10.72580000       7.43168002       3.98750005       2.17440579      -1.10742668       1.12625258
Li       7.67494998       5.49190995      10.31949996      -0.13418211      -0.01449660      -1.02258366
Li       9.95329004       8.91429999       7.96274995      -0.67222721      -0.25373390       0.38088182
Li       9.60902000       0.16601504       5.99467000       0.29825734       0.09847809       1.73690118
Li       0.62518697      10.77520005       0.03974127      -0.19099798       0.66713793       0.47458948
Li       4.86334996       9.23056004      11.17099996       0.35309916       0.18621869      -0.39330216
Li       9.15974002       8.10764997      11.33089996       0.13888447       2.14984903      -1.14587153
Li       7.91605995       2.64353000       3.75662000      -0.18486091      -0.49084414       0.18373053
Li       2.27902001      10.41370000       3.02421002      -1.15734616      -1.17476631      -0.31984563
Li       1.68916996       7.46004001      11.03759999      -0.16256756      -2.05202008      -0.18252659
Li       2.15262001       3.18335005       0.89246703       1.81275491       1.40298391      -0.54375299
Li       0.01252496       1.58148001       3.31179997      -0.44057291       1.78758241       1.10405136
Li       7.65850997       1.18154998       9.14918004      -0.66879504      -0.32712999      -0.40703865
Li       6.33390997       2.48794998       0.48770503      -0.06268097      -0.15245943      -0.04105147
Li       8.13701996       6.46310002       2.54606998      -0.36462735       1.25601823      -1.16208906
Li       6.23050996       9.77680994       3.41308998       0.81957700      -0.19023760      -0.70046248
Li       1.10854005       5.69427995       8.19173003      -0.30917521       0.36924971      -0.25776254
Cl       7.51371004      10.56150002       7.69063999       2.16870140       1.58520119      -1.11693996
Cl       0.46825600       2.25717998       1.26737995      -0.97460917       0.41138692      -0.57857318
Cl       2.14173995       9.38036000      10.98739997       0.87563594       2.11056143       1.10232805
Cl       5.85282005       3.03055997       9.54036994       2.46461826      -1.47695423       1.41055210
Cl       0.23001702      11.24899994       2.63416002       2.70983197      -2.50989616       0.30443178
Cl       8.73743997       6.32862000       0.49475694       1.00676105      -2.76185384       1.42656301
Cl      10.00170002      10.52229998       0.31347996      -1.07453451      -0.99304056      -1.19151914
Cl       4.89933003       9.52104999       5.00172004       0.85343699      -2.70275936       0.50477594
Cl       3.88200999       5.91431995       4.73811004       1.06745156      -0.04214403       0.87873865
Cl       2.96521002       3.05701999       8.74288997      -0.91624790       1.32015238      -0.05001600
Cl      11.15199998      10.28779996       7.06049999       0.62268162       0.55522868      -0.39209970
Cl       6.16679000       7.63384996       1.89922996      -0.79716597       0.48680439       0.38579401
Cl       9.91935004       6.86797001       8.64970005      -0.14246178       0.20877309       1.53738307
Cl      11.03420003       6.02090004       6.25872997       1.49128823       1.78651430      -0.11935436
Cl       5.31955001       0.68406901      11.05060003       0.69528252      -0.97788233       3.29725914
Cl       9.19940001       8.45375005       3.45054998      -1.78521485       1.02816083      -0.70559404
Cl       8.64518003       2.49603998       5.91878002       1.47426516       0.87868713       1.01381430
Cl       5.88357000       2.63834001       4.95451999      -1.10940806      -0.26347328      -0.03379604
Cl       2.61306998       5.62813002       0.69547998      -0.49499845       0.22858838      -0.07477490
Cl       9.36866002       1.91810005      10.11160005      -0.40794945       0.93534596      -4.58843006
Cl       3.62688000       0.23923900       3.74214004       0.09958678       0.17900098      -0.33873122
Cl       8.29997003       5.55738005       4.30019001      -0.09249781      -1.64120992       1.33051890
Cl       4.45838997       3.69541003       2.34932000      -0.06284860      -0.84786152      -1.62986465
Cl       2.60009999       0.38537097       7.38929004      -0.56427225      -0.72673003      -1.11250409
Cl       0.85533996       2.92944995       5.01269995      -0.00326879       0.27946550      -0.65791341
Cl       1.58662002       7.62861995       3.69511998      -0.65067988       1.12212520      -0.30435845
Cl       2.31643002       7.70980001       8.57722998       0.02951001      -0.96970262      -0.71209999
Cl       4.62859005      10.64530001       8.83877996       0.23944637      -2.76323678      -0.39031619
Cl       8.33743002       1.94885000       1.59475003      -2.15606592       0.91666615       1.65267079
Cl       8.90239995       0.13116604       4.14864003      -0.94700646      -0.49311779      -1.79658030
Cl       6.64107999       5.48019002       7.91675996       0.77793219       0.97063987      -1.35504547
Cl       7.08549006       7.75655994       9.97202003      -1.04295449       1.15348435       0.13542257
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.02041884 stress="-0.017170319391044256 -0.002147217682081908 0.0008944462123560654 -0.002147217682081908 -0.014644150492150286 0.006254219378757771 0.0008944462123560654 0.006254219378757771 -0.0151564921462122" free_energy=-225.02041884 pbc="T T T" config_type=melt 
Li       7.66248005       3.95556000       7.46593999       0.25119517       0.50160824       0.06928876
Li       6.51793998       6.58815996      10.48009996       0.10862972      -3.02527751      -0.46408940
Li       6.08549002       2.41368999      10.56239996       0.16498535       0.44882649      -0.17209549
Li       6.48139002       1.48002996       2.79116001       1.22418757      -0.22030473      -0.02323681
Li       6.47879004       8.69103004       8.25794003      -0.15517506       0.04434915       0.13425710
Li       7.15154001       8.42194997       2.57019002      -0.51152432      -1.03214754       0.34483912
Li       0.26251298       9.33828999       4.81148005      -0.22190161      -0.05225860       0.04309629
Li      10.55429999       8.01288004       1.32746000      -2.44446019      -1.37177604       2.06317095
Li       3.40618000       0.59796997       8.83387004      -0.40727818      -0.32687184      -0.17549572
Li      11.34149994       5.68348002       3.55315001      -0.09416500       0.45067056      -1.50317043
Li       1.15290005       2.99823999      11.42599994       0.46767307       0.43274402       1.42414460
Li       2.96045005       8.50330004       8.23283005       0.13059410       0.10660359       0.24987228
Li       4.96129997      10.68659996       0.77635497       0.31692666       0.15078471      -1.35922680
Li       8.68146997       3.72013000       0.83100795      -0.59285824       0.24554249       0.40635665
Li       3.63339997       5.22858003       2.16221000      -0.12966146      -0.21830462      -0.07441557
Li      10.35519995       2.39257003       4.61537999      -0.09063762       0.74594590      -0.61979030
Li       2.80742003       4.38173005       5.70938998      -0.13417162       1.73746224      -0.98173135
Li       7.29865000       4.75044996       3.63360002      -0.07838710      -0.83184624       1.66045875
Li       8.88075998      10.91559999       7.46339996       0.35122512       0.67352822      -1.99740991
Li      11.11690002      10.31670004       9.60610005      -0.85668977      -1.46813948       0.39189667
Li       2.44717004       7.58317005       0.09991991      -0.02866482       0.19083423      -0.11557378
Li       8.72117995       7.83418997       6.11947003      -0.71408201       0.64670486      -0.74225874
Li       8.06590004      10.29319998      11.40710004      -0.05213887       0.02466072      -0.78471413
Li       3.62157995       5.05036997       9.30444996       0.02827025      -0.19759601      -0.23158589
Li       0.91247897       1.56438998       6.62818004       1.37319733      -0.54304462       0.66850030
Li       0.18570001       4.89173001       7.65062002      -1.92967194      -1.18476367      -1.47117915
Li       0.89405197      10.83269995       0.83366101       1.07290496      -0.56020782       0.78227182
Li       9.66312005       1.04616004       1.80314003      -0.48595998      -0.87509546      -0.36095110
Li       9.88923005       1.86027995       9.63208005      -0.25031544      -0.36505348       0.20335775
Li       5.25857998       7.01794997       5.68797001       0.82107731      -0.07009896      -0.01905731
Li       2.88633004      11.16100001       4.15215004       1.16433851       0.09272798       0.05319273
Li       5.52889005       1.18098995       6.10568000      -0.91090345      -0.21866570      -0.65831611
Cl       7.57294001       5.62004002       1.92052005       0.49580495       1.79330653      -1.17913147
Cl      10.76129995       0.09157965      11.29680003      -0.67758599       1.26698234       0.96288792
Cl       3.77754999       5.87208004      11.36740004       0.68495154       0.04056509       0.59789219
Cl      10.59879997       7.83018000       3.49055997      -0.25082375      -0.11055414      -0.02001984
Cl       7.65682999      10.35959994       1.98829997       0.50492100       1.14101726       0.71835589
Cl       1.53110998       5.64940004       8.73430999       2.13758820       2.05092971       1.24651299
Cl       3.92113999       2.51269998       9.96964005       0.14492041       0.07351268       0.30299744
Cl      10.30169994       2.99406000       1.80923995       2.85515796       0.21157330      -0.17210981
Cl       0.17605099       3.06686001       9.68815001      -0.74649362       0.20840249      -1.27186379
Cl       7.94032995       4.55558001      10.59210002      -0.86537755       0.94922963      -2.50994543
Cl       4.30261998      10.05050003       2.52122001      -0.77576487      -1.79731832       1.33805266
Cl       6.77326004       8.84456999       5.58458995       0.01116721       0.11531784       0.18114193
Cl       0.38863302       8.64229000       0.19557695       2.77086705       0.78683371      -2.46739913
Cl       0.88798404      11.38989996       8.55027998       1.76664713       0.66855318      -1.22569317
Cl       4.49724001       1.54231998       2.67878003      -1.13592935       0.98363855      -0.04184897
Cl      10.39620000       1.62760001       6.60741995      -2.01634701      -0.19365800       0.14078820
Cl       2.70278004       2.71294003       6.71767995       0.30361262      -0.29562794       0.72787711
Cl       8.83591997      10.31469998       9.33601995      -0.75036567      -0.74702776       0.78986060
Cl       5.34928995       6.73617000       8.38989000       0.39502124      -0.87360532      -0.00627305
Cl       0.22989000       4.67269004       5.22438995       0.57967388      -1.08238847       1.36956436
Cl       0.96941803      10.97480004       3.17255998      -0.76147269       0.15408113       0.22016036
Cl       6.97677005       1.78411002       7.41256000       0.80705042       0.32109365       0.79913652
Cl       8.80398002       5.88919999       6.45305995      -0.43482073      -2.32882400       0.51567165
Cl      10.20359998       9.12601005       6.60993005       1.23411962       1.12414262       0.20623937
Cl       5.18892004       5.29927004       4.14570999      -0.87942689      -0.18293701       0.25699081
Cl       3.76582994      11.42830002       6.58946000       0.22893629      -1.07387503      -0.46478738
Cl       8.25840995       2.61478000       3.53631999      -1.56045658      -0.62114353       1.50370492
Cl       3.93462003       9.79107002      10.04419994      -0.92547317       0.62201687      -0.15522686
Cl       8.07434004       1.64646998      11.27100001      -0.76353065      -1.03252177       0.21424314
Cl       6.39957003       8.42374000      10.88689997       1.05292965       2.86666304       1.19185032
Cl       1.22507996       4.76787005       1.76068998       0.92520354       0.64699756       0.23191953
Cl       3.41650003       7.70623004       6.27740001      -1.74126264       0.38308306      -0.74195479
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.11726862 stress="-0.008281772607176469 -0.003811021095134433 0.00020668657606216396 -0.003811021095134433 -0.01189376707449706 -0.0006793022416321106 0.00020668657606216396 -0.0006793022416321106 -0.006009860102185309" free_energy=-226.11726862 pbc="T T T" config_type=melt 
Li       2.01756002      10.32609994       9.62635995       0.03471395       0.66409341      -0.33832646
Li      10.62279998       4.65119004       7.69897005      -1.00152988      -0.68468285      -0.42512560
Li       5.54885005       7.18808000       5.17570000      -0.21614567       0.38901902      -0.33163598
Li       7.69816996       2.88261997       7.87150001       0.44027973      -0.01558529       0.18594208
Li       5.42568000       1.30618997       3.00156004       0.38029208      -2.57781835       0.31083561
Li       3.64301999       2.79129001       0.95421904       0.37762762      -0.29928871      -0.07368783
Li       6.83773000      10.70879997       5.60540002      -0.25893654      -0.24789252      -0.01890940
Li       0.81963400       6.86507998       4.74292996      -0.38588462      -0.46133803      -0.12643558
Li       3.22856001       8.11760005       1.35011995      -0.13996944      -0.40501274      -0.32559705
Li      10.28540003       5.03743998       1.42716003      -0.11113603       0.35074503      -1.28289283
Li       1.72565996       3.83369997       9.98667001       0.13064938      -0.39670047       0.16168960
Li       1.32403000       1.21098005       6.66606994      -0.91574314      -0.66794009      -0.54234178
Li       1.19898004       2.88880002       3.46523996       0.15125023       0.44827318      -0.44952136
Li       3.05140994       4.32328996       6.76040996      -1.08551442      -0.37684350       0.62114543
Li       9.59850003       1.21667997       3.69709998       0.52378877       0.33176358       0.48251127
Li       2.71431001      10.16729994       4.94707004       1.47004045       0.66110896       0.73528278
Li       5.85833999       3.65267005       5.25146995       0.18737342       0.00184645      -0.03546892
Li       8.83155999      11.13929996       7.84016997      -0.07290084       0.34784774      -0.04613784
Li       0.72482303       6.72148999      10.20630005      -0.61176786       0.80176619       0.47197357
Li       4.07000997       6.27376996      10.02530005       0.81218074       0.52413235      -0.25554032
Li      10.45510003       1.27517004      10.55979998       0.54507217      -0.56507103       1.10372971
Li       7.13166004       3.15438004       0.26076904      -0.06772404       0.05618720       0.35728726
Li       6.08928997      10.95539996      11.16849994       0.63690195      -0.36732766      -0.46639641
Li       7.64605002       7.57152004       9.02687005      -0.42189140      -0.16165181      -0.09441820
Li       5.14029005       9.53433996       8.24696998      -0.07208260      -0.23719953      -0.84467358
Li       4.49614998       2.30847002       8.86597002       0.17891647      -0.83872462       0.23494653
Li       6.56795003       6.88982002       1.50736000       2.33800786      -0.26814190      -1.05267453
Li       8.92331997       5.78734995       4.78217999      -0.85275810       0.46116616       0.77013388
Li       9.79711995       9.40622995       3.05988996      -0.09205809      -0.73564122       0.19310697
Li       9.76496998       9.59162995      10.96839999       0.26661783      -0.55644828      -0.26446999
Li       1.66330998      11.11180002       2.24403997      -1.38572225      -0.94424787      -0.54576668
Li      11.20449996       9.15243005       6.80721002      -0.16019227       0.21551230      -0.17480556
Cl       4.91717005       8.51835998      10.10819998      -0.15022346      -0.10922376       0.99439485
Cl       4.35659003       5.41916004       5.68209995       0.93359426       0.29269800      -0.79023499
Cl       1.28201995       9.08830002       4.06928004      -0.81632036      -0.79581177      -1.28936818
Cl       7.38353004       5.48860996      11.30990003      -0.19719659      -0.41270239      -0.14923365
Cl       6.86330004      10.82469994       8.59938000      -0.14171182      -0.43792796       0.42321377
Cl       0.86950500       5.40660998       8.57739999       0.55208173       0.22182538      -0.81388433
Cl       4.94982995       9.40650005       4.44782002       0.22493138       0.84190243       0.33464793
Cl       1.18570005       4.14327004       5.18789994       0.24818660       1.44462426       0.57131862
Cl       2.52803999       2.41461997       7.80223994      -0.15230466      -0.64230505      -0.17189966
Cl       6.28405995       1.53772005       6.75389997      -0.50243844       0.66904822      -1.00304490
Cl       3.17408003       0.68452804       2.94921999       1.37461505       0.80351591       0.53464572
Cl       2.43878002       1.52974997      10.89449998      -0.65172299      -0.36841952       0.18633479
Cl       2.17421001       9.96794999       7.39810997       0.62971922      -0.09484964      -0.48048116
Cl       5.44485000       3.16275000       2.65632999      -0.69638741       3.32698998      -0.31308060
Cl       8.61555999      11.41579994      11.18790003       0.30764635      -0.27538849       0.43434552
Cl      10.84859998      11.02599997       8.36169005       0.72206292      -0.59156308       0.11277684
Cl       1.29363005       9.20748004      11.27289998      -0.29625386       0.00702982       1.01497974
Cl       0.31754095       1.28613001       4.45969999       0.44591729      -0.43249268      -0.02587370
Cl       6.54215999       7.97577005       6.99837998       0.34106116       0.03479362       0.29633384
Cl      10.00030001       7.56370003       5.14048999       1.06137296       0.66052800       1.65262884
Cl       4.84926999       6.89888001       2.38068994      -1.80713087       0.06849995       0.87043655
Cl       2.47650003       6.08065003      11.34438608      -0.32339521      -0.21970874       1.30283176
Cl       9.29251003       7.36934001       2.19394003      -0.63944102       1.50798226      -1.44395544
Cl       7.89237005       1.35133000       2.54751001      -0.64136115      -0.25569445      -0.20831696
Cl      11.41220818       3.53735005       0.12163601      -0.04745373       0.10217211       0.62132382
Cl       9.92841003       4.85924001       3.38436004       0.95469451      -2.61250424       0.12450728
Cl       9.81130997      10.75810004       4.77211000      -1.60576624      -0.62293934       0.90014265
Cl       9.80945001       2.40581999       9.07154004      -1.35584022       1.78565173      -2.13290996
Cl       5.47866997       1.54553995      11.03720000       0.42707418       0.72253517      -0.05750086
Cl       8.09868995       4.50546001       6.36479004      -0.09327876      -0.06640148       0.37502469
Cl       9.71783000       7.63937001       9.72173004       0.49044329       0.20449265      -0.02483087
Cl       4.23234005       4.39559002       9.03195996       0.78307039       0.79773800       0.22096924
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.56387012 stress="-0.009454016250990347 -0.006682046811202603 -0.00046373628247615485 -0.006682046811202603 -0.007953516313099856 0.0022933290576698947 -0.00046373628247615485 0.0022933290576698947 -0.012839093832069978" free_energy=-226.56387012 pbc="T T T" config_type=melt 
Li       0.81562105       8.24987995       4.47716995       0.40223310      -0.43740387      -0.33942093
Li       9.37351996       6.76887003       9.86462002      -0.30838862      -0.49519077       0.04574946
Li       4.23574001       9.66484004       4.88238995      -0.75526970      -0.14309946       0.40473873
Li      10.26629996       3.46879996       3.98145001      -0.30322979      -0.04138064       0.09497288
Li       2.83891997       9.46959005       8.69847999      -0.29576152       0.21195756       0.11038028
Li       5.60773002       4.24557006       6.35688003       0.68074808      -0.07293801       0.02174633
Li       8.95043998       1.15385996       0.70327901      -0.32075471      -0.04250330       0.17886023
Li       6.92649998       7.30294005       4.57527003       0.31904536       0.47657009      -0.67130829
Li       6.05671995       9.20243002       0.09967676       0.11458874       0.21153102       0.43654688
Li       0.85164594       0.97524705       3.26719005      -0.49898513      -0.68042122      -0.10716369
Li       0.40793004       9.16194999       0.83701500      -0.06002604      -1.19538145       0.30262091
Li       0.21735805       6.08812004       2.26139998      -0.35753202       0.46219590      -0.29751757
Li       6.33812997       1.67102005      10.02860004      -3.83422536      -0.53706333       0.21104743
Li       3.32310994       6.63390003       6.05508996       0.50161403       0.50706968       1.21085182
Li       3.66974999       6.77036004       2.07546002      -0.23428195      -0.84747828      -0.00601939
Li       1.18940003       5.97247996       9.41860003       0.43162532       0.01541426       0.70884089
Li       3.27288998       3.04829005       0.73122205      -0.36853278       0.28866191      -0.09741459
Li       6.05718001       8.62492998       7.98058998      -0.07725244      -0.43021926      -0.37455369
Li       0.76092199       1.16574005      11.13339999       0.47919999       0.05649614      -0.39907280
Li       8.56329996       9.85110994       4.00928998       0.06326106       0.14069020      -0.51648909
Li      11.13330002       3.85504004       0.30790695       0.09126821       0.39154339       0.32129315
Li       2.64224004       3.60460995       3.77192997       1.43078282      -0.04600276       1.10405787
Li       3.49384001       1.81089998       8.67403997      -0.67972495       0.17463494      -1.26612343
Li       4.98784998       5.86621996       9.78672998      -0.99205043      -0.62927710      -0.06350636
Li       9.73792001       5.89641997       6.53141005      -0.40205316      -0.28179873      -1.45248981
Li       7.42984000       6.05252999       0.99365696      -0.27676295      -0.70095550      -0.98123526
Li       6.68722005       0.55680701       5.61406002      -0.83468323       0.43487538      -1.71343011
Li       9.10311003      10.09500000       8.72292000      -0.24595770       0.42582518      -0.38166070
Li       6.30840997       2.64845001       2.68495996       0.31031948      -0.11393547      -0.14955555
Li       9.14701994       1.72028000       7.79527998      -0.31722907       0.37200081      -0.34101627
Li       3.38841002      11.09840000       2.03564996       0.07636252      -0.90094270      -0.26912039
Li       0.54641201      10.88219996       6.50518001       0.07698622      -0.73427328      -0.43935589
Cl      10.87119998       6.07032003       8.20544005       0.09890968      -0.32138769       1.64440325
Cl       6.85254998       6.57758003      10.23180005       0.59830980      -1.24207460       0.32289582
Cl       7.45031004       0.14051986       7.37612996       1.02229120      -0.64798942       1.37146457
Cl       7.26607998       9.19941996       9.67808999       1.24131217       1.60164901      -0.42671621
Cl       1.16870001       6.86937003       0.42064805       0.42158094       0.59065202      -0.73280326
Cl      10.84710000       2.17342000       1.86105001      -1.51626076      -0.74231279      -0.26643994
Cl       7.85862001       1.31028995       3.88316995       1.27255781       0.13047304      -0.62526296
Cl       5.29243996       2.78963996       4.53558997      -1.35393110       0.58279557       1.12548299
Cl       4.45226002       9.83898004       7.18720000      -0.52371635       0.56364847      -0.06350691
Cl       1.30675998       3.27121997      10.43929996       0.05039040       0.26342405      -0.39604087
Cl      11.24309996       8.32026995       6.27670997      -0.69870258       0.99407817       0.67679474
Cl       4.22826002       8.66025005       1.34434998       0.16091690       1.07857084      -0.19613744
Cl       3.45053003       0.83991099      10.37779995       0.72209974      -1.11468067       1.82363361
Cl       2.72357005       6.23585002       4.14926999       0.54758515       0.46643739      -0.33305480
Cl       0.91337903      10.80239997       8.63964003      -0.12302202      -0.24082133       0.93643310
Cl       7.09500002      11.28652012       0.86072095      -0.23390805       0.12170344       0.05739437
Cl       6.19680004       9.99529000       4.31807005       1.08454602      -0.26558039      -0.28706196
Cl       1.18394005      11.07870001       1.15138998      -0.20003752      -0.29158633      -0.28168212
Cl      10.88300005       8.61167005       2.89515995      -0.87564226       0.42108095      -0.75039000
Cl       7.71873000       7.08673003       2.71834005       0.43065860       0.64990083       0.25740653
Cl       3.18322005       7.22118999       8.92017004       0.03903659      -0.61916966      -0.24319856
Cl       8.15697996       1.84434002       9.89773998       4.35411041       0.81200419       0.35639574
Cl       5.79352003       6.82058998       6.11328001      -1.43750639      -0.50691400       1.72784253
Cl      10.88130001       1.27813000       6.44060997       0.00850524       0.54392286      -0.69464513
Cl       2.05726002      10.12539995       4.38688003       0.38861424       0.66708374       0.10556178
Cl       4.69156999       3.49634003       8.81804005       0.84704231       1.04101369      -0.42822024
Cl       9.63693002       5.53468995       0.29271597      -0.08908293      -0.27173535       0.19891548
Cl      11.24320005       5.47550996       4.26146998      -1.90827010      -0.10442908       2.00119759
Cl       7.99812998       4.31606002       6.33829998       0.41128419      -0.06606470       0.12650937
Cl       2.78140001       1.62244005       2.64801999       1.51483203       0.29248562       0.22135897
Cl       1.37507001       4.17991997       2.38673999       0.06072977       0.36263325      -2.51296413
Cl       5.04869997       4.86167996       1.21552999      -0.13056652      -0.58801245      -0.00081894
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.55150391 stress="-0.020099341665540303 0.005745479038012437 0.00027209655561090564 0.005745479038012437 -0.013794737529601581 -0.0037242499563004488 0.00027209655561090564 -0.0037242499563004488 -0.014976779306652583" free_energy=-222.55150391 pbc="T T T" config_type=melt 
Li       3.96645003       5.56958997       7.41602004      -0.17892335       0.31146376       0.17394598
Li       8.31947994       3.48519996       9.97836001       0.92946778      -0.12404764      -0.21288240
Li       3.13392995      10.52980002       1.76459002       0.51682164      -0.07911792       0.15031497
Li       7.70592004      10.32870004       1.02801002      -3.52062470       0.06273827      -1.91754538
Li      10.21470004       0.74148304       2.77706995       0.04280011       0.01971197      -0.53674549
Li       4.51492997       6.91891005       3.37083001       0.11216357       0.86497347      -1.62451380
Li       7.70848002       1.66835002       7.21182998      -0.71034936      -0.08488161      -0.40539499
Li       4.32210995       8.50120002       9.59947002      -0.76201453       0.24056906       1.53852624
Li       3.49925998       3.15363005       3.19251998      -0.11100872       0.21960201       0.04188498
Li       1.71906995       2.19534005       5.97320004       0.27968392       0.64235575      -0.92899480
Li      10.46799999       8.72186001       1.66743001       1.76514668      -1.32450591      -1.01047971
Li       0.01037712       4.10833999       1.79106001      -0.58055193       0.25953868       0.08311450
Li       7.70000000       6.62785995       6.79456996      -0.55141196      -0.07143850      -0.10888949
Li       1.99734998       6.81635003       0.29374099      -0.27873561       0.86782132       0.88193744
Li       3.96835998       1.23277995       7.80134997      -0.71690416      -0.06154411       0.29528237
Li       1.23540997       4.02622995       9.42734005      -0.23266142       0.43154103      -0.44856419
Li       2.90345000       9.57305999       6.10340995       0.24980980      -0.33176258       1.73921997
Li      10.60239998       7.16671998       8.72256002      -0.11776068       0.62091242      -0.35953799
Li       3.67783999       4.34873000       0.04456017       1.08902221       0.06903315      -1.01326978
Li       8.28930000       5.37877998       2.91998997       0.00328843      -0.51009102      -0.44693378
Li       6.23466002       4.16496000       5.16979005      -2.29374545      -0.82768887      -0.23475886
Li       1.70206005       8.45179000       3.56888003      -0.48502389      -0.45383430      -0.61048473
Li       5.50943001      10.89540004       4.71675999      -0.04652294      -0.38296190      -0.40819833
Li       7.50790005       6.98623003      11.29710005       0.06715146       0.40910630       0.13649735
Li      11.42430002       4.64900002       5.76741999      -0.75493735       0.08978083      -0.64127502
Li       7.25716994       9.51251002       7.94753995       0.02493880      -1.96275883      -0.68287765
Li       9.55044005      11.34719998       9.66368994      -0.59556823       0.82807624      -0.22267945
Li       8.46326001       8.59735002       4.06889002       0.27938519      -1.44614611      -2.84931605
Li       6.68209001       2.65996004       1.14232999      -0.75025596       2.08757891       0.66947478
Li      11.19000005      10.01609996       6.81495999      -1.22303190       0.83799183       1.33831723
Li       5.86585998       0.07883871       9.99683000      -0.54615781      -0.30129288       1.45527136
Li       1.94688995       0.19732502       9.84637003       0.19532229      -0.32607531      -0.10174732
Cl       9.55392003       7.68228998       6.67518003       1.57079373      -1.62130280       1.09308798
Cl       8.02835005       7.31642995       1.96550003       0.49246693      -1.37005386      -0.16446521
Cl       6.32633001       9.35327002       3.11012999      -1.37971748       0.94120110      -0.10074767
Cl       6.75902003       8.73354005      10.11970002       0.76998462       0.71763240       1.77709552
Cl       1.02239000      10.49759996       1.22695999      -0.73232720       0.60474285      -0.32657530
Cl       3.10726002      10.21789995       8.25112005       0.29348835       0.65458090       0.91179483
Cl       1.08240998       1.08302997       7.60590004      -0.34687817      -0.50925099       0.90890283
Cl       3.04698003       9.96182004       4.19422005       1.74669799       1.50501207      -1.40218706
Cl       3.42151004       8.21700006       1.82663000       0.11699434      -1.01442904      -0.87285397
Cl       5.21742998       7.96313997       7.95186003       0.72941893      -1.49008932      -3.32915486
Cl       9.43803003       2.14977997       8.25804000       0.51653328       0.08982761       0.67324917
Cl       7.97698996       9.51779998       5.60126004      -1.88545670       3.75200687       2.91746324
Cl       5.56439997       4.35238000       2.66032999      -0.27080288      -0.80468299      -0.59564571
Cl       7.06919003       5.03434004      10.66579997      -1.10021182      -0.75846869      -0.05896786
Cl      10.19870003       5.19926001       9.38809002       0.64522403      -0.53077903       0.36043316
Cl       7.60210995       1.02791005       0.63110495       0.90099201      -1.81162367      -1.23766757
Cl       0.91930904       8.90179005       5.75440998      -0.25943627      -1.73481282      -0.53669032
Cl       0.51718406       3.18997996       3.75121998      -0.13589588      -0.32738186       0.83806220
Cl       0.28739999       7.06692996       2.06157999      -0.31531546      -0.11987469       0.52168126
Cl       3.19984004       6.30467995      10.11680002       0.30836229       1.01343492      -0.82219589
Cl       4.96556995       6.20406003       5.16704997      -0.12182639      -0.77709756       2.04608229
Cl      10.46879996       9.46600001       9.53560000       0.46692786      -0.30058670      -0.17221321
Cl       8.01864004       4.92084000       5.11700002       2.42459417       0.50130575       0.43004026
Cl       9.29216002       3.39571999       1.53370996       0.25497688       0.35240156       0.37713849
Cl       4.43152996       0.51886896      11.43090000      -1.36184739       0.13298210       0.47744603
Cl       3.49587997       1.50055996       4.65989006      -0.69925535       0.18640995      -0.85018602
Cl       7.11048998      11.40970003       8.50564002       1.11446614       1.36409171      -0.88838743
Cl       1.96498999       4.77102995       1.08694995      -0.14060058      -1.29865950       0.63870607
Cl       9.11310998       9.97309997       2.13990005       2.58838637       2.46666671       3.14925705
Cl       1.68866003       4.51289001       6.90314999       0.49354010       0.20893155       0.16906559
Cl       5.51687996       2.00376001       6.53506005       1.74141232       0.83764709       0.22083892
Cl       3.43597005       3.48427995       9.29384000       0.47549927      -1.43442910       0.10889523
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.79295959 stress="-0.023995448692044726 -0.003213131719166826 -0.0012176350376563929 -0.003213131719166826 -0.001196091102017908 0.000531227824042906 -0.0012176350376563929 0.000531227824042906 -0.016707122537235816" free_energy=-222.79295959 pbc="T T T" config_type=melt 
Li       4.49136995       1.78534999       7.43114005       0.71322432      -0.10910735      -0.37850677
Li       6.42253000      10.12920001       9.14527004      -0.02183878       0.33249303      -0.44176553
Li       3.58464995       7.47616005       3.00030000      -0.29951376      -0.31325704      -0.03809688
Li       9.64731001       5.94591998       3.68852997       0.43830868      -0.14662515      -0.50307522
Li      10.56609995       2.43413997       4.17906003       3.03785924      -0.39365173      -0.12577760
Li       3.80419997       8.34919994       7.85014997      -0.08238659       2.24357375      -2.43057343
Li       1.72099996       6.34950001       0.63330403      -0.37152866      -0.09956530      -1.06857738
Li       2.63210998       0.83048598       9.46670999      -0.24604000      -1.43442815      -1.67684607
Li       1.28931994      11.38280001       0.96809895      -0.71684370      -0.20237371       0.12819571
Li       3.35500999      10.91940005       4.65121996       3.35592980       2.16579988      -3.39447201
Li       9.49734003       4.23222002      10.97909995       0.69939989       0.08454280      -0.15961361
Li       3.39963997       3.32946001       4.19797999      -0.00004440       0.23846193       0.43005596
Li      11.11150000       8.91799000       2.49603998      -0.46174003      -0.53903204       1.11057832
Li       5.40236005       6.30791998      10.26280003       0.53555141       0.07329844       0.12961681
Li      10.81860003       0.89253204       8.20863996      -0.03479694       0.34280357       1.19823376
Li       7.59726996       8.68168000       4.95825998       0.66943447       0.18965706       0.32772782
Li       6.52392995       7.67854002       2.06097995       0.05842825       0.56296971      -0.16161934
Li       8.79731996       0.21333397       0.25988801       0.26846282      -0.15635099       0.36936907
Li       8.71491999      11.12680000       3.86755995       0.16442030       0.28461727      -0.09376006
Li       6.31104996       5.46813006       5.84966004       0.14152469       0.97293588      -0.77473676
Li       0.08638759      10.22659997       5.68744001       0.40661370       0.94356233       0.24057299
Li       7.76754995       2.22757004       6.33570997       0.05362864      -0.06041189       0.22874344
Li       0.49683003       2.66788002      10.76620001      -0.06116446      -0.44252749      -0.09515358
Li       1.11577000       5.38909004       5.36867995      -1.33805065      -1.09328187      -1.94884903
Li       4.56243003      11.20290001       0.83615598      -0.08736323      -0.45312245       0.44336986
Li       6.53793001       3.06537997       2.13122996       0.20492885      -0.70750226       0.20129646
Li       2.05647999       4.69604003       8.88904005      -0.23553936       0.46123694      -0.52728131
Li       0.70073303       8.88080996       8.77287995       0.69838252       0.06236412       0.24456270
Li       7.14309004       3.02202997       9.52108003       0.94962688      -0.86784521      -0.69068028
Li       3.82444004       3.57736005      11.43600000       0.15915215       0.60776127       0.69924744
Li       8.87878995       7.11400997       7.64105996      -0.96895192      -0.64218438      -0.92090058
Li       9.58414996       7.88389004      11.29570003       0.16209408       0.19551436       0.28413032
Cl      10.64530001       0.29515695       2.37874996       0.20006025       0.45057202       0.08156620
Cl       8.89390996       5.97180999       5.53666994      -0.17744869       0.36237380       1.14930737
Cl       4.38914996       8.73285999       1.37612002       0.18844679       0.99221553      -0.19032301
Cl       2.48631999       9.90476002       9.48649000      -1.64313310       0.73536452       1.24892794
Cl       6.60462002       0.33547705       0.85843096      -0.04809186       0.99642149      -0.23555194
Cl      10.65199996       1.00924999       6.22032004       0.14654726      -0.51534213      -1.03123332
Cl       2.49034005       1.86716001      11.15690004       0.54391915      -0.27919954       2.21550483
Cl       6.01801998       7.45059000       4.29211996      -1.04465976      -1.14586209      -0.23345070
Cl      10.09409994       1.69843997      10.26820005      -0.98107086      -0.60894575       0.33959286
Cl      10.34819998       7.87822003       8.78354001       0.62611472       0.15125179       0.99192139
Cl       2.26665005      10.22860002       5.86232004      -3.24834808      -2.10940253       2.69490812
Cl       6.75366002      10.65220001       4.85121995      -0.37679931       0.70799554      -0.09892707
Cl       4.83867997       3.89273001       6.12752002      -3.57126769      -1.51331524      -1.92149984
Cl       1.18043003       3.58322999       4.11102996      -0.52914249       0.06180472       0.02987121
Cl       1.09858998       2.52733998       8.55238998       1.05070927       0.06268082      -1.08244627
Cl       3.63495005       5.65443000       1.30049005       1.36592728      -1.50400649      -0.34927656
Cl       8.68466003       2.41288004       4.26303004      -3.63715306       0.42244877      -0.53960780
Cl       0.13268804       4.69742996      10.85870002       1.02115481       1.57538004      -0.08865218
Cl       3.56186997       1.58078998       2.88542001       0.48665382      -0.91057534      -0.18973371
Cl       7.24976998       0.86265601       8.24024996       0.01646003       0.46602614       0.35534746
Cl       7.83255001       3.85311003       0.59396401      -0.53486167      -0.22931941       0.53413787
Cl      11.42949999       9.36454996       0.54033800       0.74738471       0.31504760      -1.85837820
Cl       2.06153998       6.28864005       6.71867998       1.08099402       1.25937468       2.04256524
Cl       7.01477998       4.24986996       7.33619999       3.43305719      -0.53080703       2.80515422
Cl       4.55030002      10.59180000       7.79711999       1.35535828       1.23153324      -0.45568193
Cl       8.16272001       9.10822998       1.21715998      -0.13576897      -0.16169930      -0.13843007
Cl       9.91706005       9.30411004       4.89972004      -0.59887221      -0.89906145      -0.72683462
Cl       1.21842002       6.93749996       2.50218999      -0.15585313       1.14604435       2.35154277
Cl       9.80031997       6.32567001       1.69570998      -0.53123862       0.05396249      -1.06969904
Cl       5.51584003       4.06586999      10.14840005      -1.93830439       0.22730026       0.01893804
Cl       7.06624004       8.02752004       8.64429005      -0.27530082      -0.24629211       0.19010724
Cl       3.78559001       7.14465996       9.26120005      -0.62664107      -2.66429475       2.55491829
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.55130147 stress="-0.016325830261422328 -0.0020177026852294462 -0.008587057076847343 -0.0020177026852294462 -0.026632702865614057 0.004524122325777481 -0.008587057076847343 0.004524122325777481 -0.01592488882858626" free_energy=-222.55130147 pbc="T T T" config_type=melt 
Li       5.56241000       0.22904095       3.11578004      -0.44630572      -1.01689576      -1.02366930
Li       5.18326001       5.52380003       3.26817002       0.49617548      -0.07789167       0.10170590
Li       8.22643997       2.28864003       3.23925997      -1.06082387       1.83923414      -0.10332412
Li       2.39039996       0.36932706       5.94604001       2.26348463      -2.42515003       3.02640195
Li       1.44656000       5.20106002       2.09278003      -0.25826930       0.02962666       0.10291757
Li      10.42170000       4.44387998       5.00745997       2.31122822      -0.36053766       1.35236063
Li      10.88850004       5.70090000       8.88757996      -0.17705344       0.61739523       0.94279427
Li       2.44849004       7.78920001       3.86002998       0.46584026      -0.57216169      -1.43620968
Li      10.65950001       9.77378005       5.66910003       0.95522476       0.20608233      -0.04403296
Li       1.79390005       0.97519099       9.64788001      -0.63163030      -0.39360151       1.46516783
Li       6.11767003       8.07021004       1.43903003      -0.35160242      -0.01250954      -0.09039526
Li       1.99755003       8.75285002       8.00026004       0.33787052      -0.05372335      -0.29484034
Li       9.23013999      10.14059998       1.50099996       0.52130229       0.11561892       0.13919596
Li       5.33612999       9.45583005       9.36185001       0.98647467       0.93812889       0.84317827
Li       5.12132997       9.27762997       5.47073004      -0.38616007      -0.04358593       0.41323450
Li       7.79005995       3.14394996       9.13381000      -0.67650438       0.35018291      -0.49935896
Li       8.46963003       7.25086998       4.38236001       0.00912779      -0.12056450      -0.60167578
Li       0.17165696       8.06151002      11.15929997       0.82396023       1.56630291       0.47597553
Li       0.29373102       2.34922004       6.93241005       0.29485078      -1.68915654      -0.23256942
Li       2.71370997       5.03117005       6.66405005       0.00148150       0.39871951       0.13018501
Li       2.12172997      10.37280003       1.82839997       2.40197972       2.78275612      -0.86700084
Li      10.08679995      10.64880005       9.29964001      -0.34858726       5.24982517      -1.99559172
Li       3.72232999       5.83894999      10.58910004       0.20908002       0.47592964      -0.01465336
Li       7.93831006      11.45890002       6.28596004      -0.01584702      -1.09979530       0.16949133
Li       4.45288001       2.62175005       8.93632000       0.41536688      -0.31351132       0.07149180
Li       5.51137000       3.06611999       0.95169196       0.50401308       0.87580263       0.66028586
Li       8.13371000       7.46917005       9.73985999       0.19512756       1.12238946       0.37965720
Li      10.57359999       2.66789997       0.32988902      -0.08723404      -0.05608289      -0.00342814
Li       0.06255026       1.22563002       3.19312002      -1.31194928       0.27620878      -1.10588673
Li       8.66214005       5.63869000       2.03767994       2.27808118       2.45188936      -2.14893252
Li       7.29195005       5.52241996       6.90086998      -0.69791428       0.10281609      -0.95633279
Li       5.61648999       2.10931003       5.85175995      -1.45247211       0.40469560      -1.04557022
Cl       9.63119994       2.65232001       9.83965002       0.68528957      -0.50495762       0.26680867
Cl       7.19304002       4.50576003       2.02345002      -4.03819061      -1.98990341      -1.99409531
Cl       8.73438003       8.86097997       5.72935996       0.42111432       0.61640952       0.59684085
Cl       5.54161999      11.41264176       5.17965999       0.00538651      -0.49990296       1.31559156
Cl       9.08035997       0.50915000       3.26773999      -0.04527843      -1.83781791       0.74994792
Cl      11.12079994       0.67585703       1.12306002       0.73305136      -1.16425202      -1.59266800
Cl       3.88526000       9.66982001       2.87315002       1.31826721       0.00669483      -0.19057884
Cl       8.39025995       7.90965004       1.55365999       0.14422026       0.42412494       0.45065076
Cl       7.47508997       2.06030000       6.50346999       2.11718896       1.07265963       1.27514839
Cl       4.69161997       1.38056999       0.22461987      -0.76454400      -2.50123696      -0.54171305
Cl       2.83922996       1.62281998       8.08426994       0.27177430       0.71888635      -2.09678713
Cl      10.80800004       6.25373005      11.20110000      -0.09069690      -2.25224107       0.26535711
Cl       8.51320002       5.77554003       8.50620005       0.43288240      -0.58759226       0.30410747
Cl       2.45664000       6.40472001       8.69008997      -0.28672283      -0.12496775      -0.16586675
Cl       9.01880000       4.97747996       3.82728995      -0.67901769       1.31466220       3.32264150
Cl      11.29414513       4.24290002       7.44883998       0.30515366       0.43407768      -1.25718919
Cl       5.48679998       2.27200994       3.18566996      -0.05732787       1.35264371       0.62011138
Cl       4.20491004       9.44340999       7.78152995      -1.20054878      -0.12048783      -2.19160053
Cl       6.26503005       7.68906996       4.45117997      -0.81917940      -1.18111574      -0.64014043
Cl       6.09411999       7.93170995      10.50159996      -0.61639548      -1.56686414       1.48586392
Cl      10.88460000       3.44513998       2.32962002       1.03112693       0.46013732       0.15451294
Cl      10.16820001       8.98577003       9.83438000      -0.09178110      -5.36527393       1.64399524
Cl       4.86127997       3.95736000      10.43669998       0.60095061       1.69559631      -0.40648192
Cl       1.43455002      10.39690001       9.40176003       0.19027097      -0.63917832       0.89397409
Cl      11.14640002       0.13152200       7.16390000      -0.89862510       0.11469325      -0.13904610
Cl       7.45991998      10.08360004       8.85767000       0.34930905       1.14583259      -0.70318923
Cl       1.38513003       1.14839001       4.66914998      -0.99943360       2.38349543      -1.91375107
Cl       1.22134995       5.87573004       4.27276000       0.25381325      -0.67932778       0.38552224
Cl       1.57409002       9.07398996       5.07040999      -0.96174219       1.42685614       2.80224118
Cl       0.86085497       9.11156998       2.14091005      -3.51715798      -3.26372874      -0.46897089
Cl       5.35631996       4.59410997       6.39707998      -1.03388721      -0.25961365      -0.08969870
Cl       3.75393002       6.20587001       1.59045998      -0.32758627      -0.19674451       0.04789049
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.35369883 stress="-0.013794888892439393 -0.0033471509572535643 -0.005199655544742799 -0.0033471509572535643 -0.014989494902258906 0.0030840156171626 -0.005199655544742799 0.0030840156171626 -0.02434918393736182" free_energy=-223.35369883 pbc="T T T" config_type=melt 
Li       3.70899004       9.18231995       1.55576999       0.64778393       0.04045046      -0.19437797
Li       0.77646400       5.40708999       3.00408998      -1.08518333      -0.35528249      -0.82052686
Li      10.29249997       3.91255003       5.41574999      -2.17271260       1.42674836      -1.11022688
Li       3.01893003       3.26675005       5.31076997      -0.38607294       1.10223558      -0.08140371
Li       2.30452001       0.80910704       2.52099003      -0.34432269       0.78174729      -0.14590806
Li       8.64986995      10.95289994       6.26386998      -0.38237769       1.28475970      -3.55858856
Li       3.95155999       4.92472994       8.33369003       0.37917870      -0.47084227      -0.08959041
Li      10.80250005       1.56921002       0.75061697       0.36106206       0.37859769      -0.32151914
Li       7.54281005       4.38586006       2.77076998       0.56151978      -0.76907899      -0.22336402
Li       0.86169897       9.00309003       8.33654005       0.71285336       0.95783153      -0.62609472
Li       5.84970005      10.28259999      10.80510003      -0.12346463      -0.01724169      -0.14089182
Li       2.33178997      11.24605408      10.47139995      -0.40797183       0.64101655       0.07952115
Li       6.95083005       9.48007001       2.35055998       0.09054749      -0.02170570       0.49400597
Li       6.64608002       4.30108996       6.22900997       2.00739676      -0.01074200       1.18664569
Li       9.84823000       1.45750999       3.63331995      -0.48495238       0.02391583       0.46412630
Li       6.99257000       2.34774000      10.71939996       0.05909982       0.34059199      -0.00448232
Li       0.81635705       2.61363001       8.72462003      -0.92598036      -0.11581548       0.09479202
Li       9.40031003       7.50559000       0.45089598      -0.03209783      -0.27529630      -0.29536582
Li       3.55491998       3.30062998       0.41322505      -0.45998047       0.13763737      -0.50264396
Li       3.68991004       8.30806003       7.82269004       0.15250985      -0.73948966       0.44168573
Li       3.37804001      10.34419998       5.24437998       0.05552341      -0.08783793      -0.46397093
Li       9.85834000       0.04957843       9.49149003      -1.18670216       1.05273857       0.26704907
Li       6.55749003       6.94944998       4.60023006       1.86090290       3.87232374       3.75638242
Li       4.62897995       1.54738994       7.52695002       0.07695272       0.41357996       0.03534560
Li       9.56332005       4.88751999       9.51907997       0.06394985      -0.28618303      -0.06807995
Li       5.96380001       6.49331000      11.31620000      -0.06862466       0.32797182       0.35152776
Li       7.86494004       8.58369996       8.42272003       0.19478179      -0.40794890       0.29276191
Li      11.18900003       9.80234995       3.51698995       0.22047280      -0.70720361       0.37394077
Li       3.90587002       5.88959001       2.95520996       0.67486994      -0.34186897       5.05390319
Li       1.94845001       7.00114998      10.97319997       0.10119506      -0.13448058      -0.17126629
Li       1.24943995       6.51383003       6.31288001      -0.99801679      -0.95959444      -1.08157251
Li       5.75374998       1.46370001       2.73960996      -2.67091735      -0.39947967       1.89439367
Cl      10.95000005       8.00035004       9.29125996      -1.88806461      -1.92427755       1.24549122
Cl       2.33929002      10.18909996       2.80330997       0.39768804      -1.36017794       0.98103619
Cl       3.20671999       1.24448005       5.49760999      -0.16656688      -2.61236344       0.18910491
Cl       3.51827005       9.45453000      10.73220005      -0.22125662      -0.44275185       0.04530284
Cl       3.65474004       2.56826001       2.40077995       0.35187379       0.02983293       0.35752741
Cl       2.80694999       2.99068996       8.24912996       0.43372344      -0.28760917       0.01949933
Cl       4.53298999       6.44570997       9.79419002       0.20007327      -0.12720352      -0.05309152
Cl       3.63062997       5.91162997       1.20731996      -1.34319748       0.28528143      -4.81415698
Cl       5.86724005       0.75412401       9.67913003      -0.26429458      -0.83580662       0.30191672
Cl       1.92505004       8.45360996       6.43669996       0.26534197       3.32481500      -1.58310144
Cl       2.19772003       6.28581995       8.05655998       0.01703263      -1.19890948       1.91914770
Cl       7.30661997       1.99329002       1.86012003       3.64287213       2.26740992      -1.85059008
Cl       5.48950005       9.01822002       4.41838995      -0.09458710      -0.02964585      -0.22544492
Cl       5.78509997       8.79317998       8.05179003      -0.02863947       0.37406984      -0.44010347
Cl      11.34553411       6.65316999       1.19604003       0.40517471       0.05181130       0.08148714
Cl       9.12804003       6.12594002       5.06204003      -0.36498430      -0.07262294       0.03563455
Cl       5.69804000      11.10630003       1.57065005      -0.91971066      -1.44649726      -0.38205804
Cl       8.09648995       2.32042005       5.28903003       0.55585023      -0.42880563      -0.35015632
Cl       5.98653001       3.28533995       8.24410001       0.80858754       1.35653605       0.35120247
Cl       8.73210002      10.50589998       8.04464997      -0.07673329      -0.60350129       2.72740262
Cl      11.30640010       3.22156004       3.89975005       1.15608354      -0.64005914      -2.30658418
Cl       2.19364001       5.46331001       4.48329004       0.80776089       0.29559173       0.74004813
Cl       7.39031999       8.53910998      11.40643294       0.08178410       0.37189325       0.28716232
Cl      10.33680001       2.79086996      10.10459996      -1.05778072      -0.43988284       1.00702320
Cl       7.72098995       5.31758996       0.08381994       1.05920095      -0.81084450      -0.06606404
Cl       9.12290999      10.07829999       4.24404003      -0.36881812      -0.17223200      -0.06448549
Cl      11.33309995       0.06236465       2.38177997      -0.99764943       1.57482782      -0.94354377
Cl       0.27557699      10.99439995       9.41952004       2.23882343      -0.13661998      -0.27228509
Cl       1.50941005       1.78420999      11.35980003       1.01569248       0.15449907       0.39448348
Cl       5.16267005       3.59760000       5.24256003      -1.73156067      -0.35015758      -1.12652728
Cl       6.08070002       5.78373997       3.38491995      -1.35866407      -2.63966609      -3.96762801
Cl      10.68989996       3.45186997       7.18195005       0.95372233      -0.20898838       2.87614310
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.14006233 stress="-0.017713197191598917 -0.005064270202587643 0.002345815593116911 -0.005064270202587643 -0.013650476549258108 0.002040527372299053 0.002345815593116911 0.002040527372299053 -0.005337991697650418" free_energy=-225.14006233 pbc="T T T" config_type=melt 
Li       5.43518000       9.28851003       6.73859997       0.76376602      -1.36983691       0.66278368
Li      10.62020000       3.23040003      11.20599995       0.12300494      -0.00173035      -0.08033810
Li       6.82233003       8.12864003       3.58822004       0.66379989      -1.97494818       1.72212259
Li       3.58048005       1.20742004       6.13047001       0.02073891       0.66912856       0.09848887
Li       0.62663503       0.49492696       8.58261005       0.12700574      -0.14392408       0.16855452
Li      11.11140003       2.64787004       6.53279998      -0.08930717       0.30948261      -0.31092430
Li       1.66352001       4.26565995       9.03485996      -0.54341971       0.49938461      -0.37288562
Li       7.46391998       5.75065004       0.15331801       0.89132250      -0.19654561       0.44344511
Li       2.65940998       8.84746003      11.38530003      -0.15083725       1.33768635      -0.65440916
Li       8.00238999       0.59170497       5.07136003      -0.05459921      -1.19968578      -0.11170184
Li       0.14766096      11.31659999       0.90687305      -0.19018773      -0.15923607       0.14710222
Li       9.86761999       3.33290995       3.41726997      -1.45181813       1.07425048       1.71498973
Li      10.87599996       8.22388997      10.00519995       0.07464236      -0.44583990      -0.66697127
Li       2.83705003       5.20019000       4.87847994       0.90656273       1.24643963      -0.35051447
Li       9.12431998       9.23224999       6.94144997       0.05095200      -0.20381844      -0.52011408
Li       2.73012005       2.32068006       2.18328994      -1.03870661      -1.55721205      -0.44837144
Li       9.32148003       5.25841994       8.23008997       0.66959424       0.55827676      -1.60722233
Li       9.69329002       6.30268998       4.56906005       0.03813681       0.30327256      -0.39195517
Li       0.22285001       5.46143996       1.35287000      -0.05649522      -0.14840890      -0.94575023
Li       9.76688004       8.89482997       2.30025999      -0.63007666       0.29887357       1.27448717
Li       4.12648003       5.59156997       0.74472204       0.65137456      -1.44399515       0.66129923
Li       6.39070000       2.88908995       2.63006005      -0.26110527       0.14229636       0.43443293
Li       0.59588897       0.42054900       3.97521000       0.23215703       0.97053992       0.37363625
Li       8.59924999       1.44595996       9.21364002      -2.28163907      -0.94588246       0.16261954
Li       6.67793994       4.56270999       5.56468004       0.14932413      -0.08553991      -0.19652757
Li       1.58387995       9.22279001       7.07281996       1.20250238       0.29868376      -0.38946808
Li       5.89944998       3.43369003       9.12435002       0.14991960       1.02419814      -0.53002171
Li       1.63938002       8.34192001       3.43417004      -0.22471056      -0.48150929       0.08989850
Li       4.34797004      10.89419996       3.65976999       1.27187112      -0.14114599      -0.48702831
Li       4.73620995      11.15730003       9.28026996      -0.63638665      -0.18620654      -0.33718007
Li       7.12793002      11.18970003       0.53555797      -1.25040264      -0.23481521       1.01648174
Li       4.82612005       6.97336997       9.11007997       0.36509034      -0.62405217      -0.67014943
Cl      11.05109998       2.61249998       2.09563005       2.18077122      -2.14895106      -1.80693156
Cl       2.80225995       0.02241989       7.89450000      -0.84388979       0.41019610      -0.13397038
Cl       5.56642995       5.65153997      10.52629998      -0.86186415      -0.42284485       0.45162302
Cl       4.84900998      10.91870004       5.72305002      -0.23474345       0.96788509      -1.08295249
Cl       4.83119999       3.43981001       6.54813999       0.21764383       0.26471240       0.47268887
Cl       5.77795005       1.48691002       9.74641000       0.48653192      -0.59058276       0.49803033
Cl       0.16226599      10.09900001       3.08757998      -1.15520855      -1.39087631      -0.35448793
Cl       9.56017999       4.47632996       5.90863000       1.43560911       1.88340892       1.63312643
Cl       9.54706004       5.18836001       2.13458005      -2.02540988       0.22916461      -1.49360499
Cl       2.75172002       7.02573995       0.82299705      -1.12571443       0.35005905       0.50921949
Cl       1.63674002       3.63640006       5.09248996      -1.28828167      -2.02619234       1.04155600
Cl       1.67749003      10.88590005      10.76019995      -0.19412020      -0.29307753       0.18218809
Cl       7.50502000       7.64265006       6.86455996      -0.70411231      -0.93994288       0.46656755
Cl      10.42060000       2.10479001       9.11600998       2.39273709       0.71517447      -1.06972751
Cl       6.56488999       9.54844997       2.34322995      -0.56352727       0.81083968      -2.20427138
Cl       5.59978000       0.82809797       2.15921003       0.34046483       1.08495292      -0.32243185
Cl       3.87760003       3.85886006       2.59146005       1.25621065       1.82642418      -0.02052807
Cl      11.11140003       0.43666503       5.99673999       0.12094765       0.18814407       0.41418789
Cl      10.91260002       5.53013003       9.69532000       1.60271102       0.62429473       0.33889626
Cl       8.14769000       2.59878996       4.83391003      -1.64478091      -0.83004555      -1.70523722
Cl       4.29848000       8.88456004       8.96190002      -0.20062117       1.08554548       0.31022501
Cl       6.69256997       5.61660005       3.45263005      -0.35332796       0.25391460       0.11760107
Cl       8.87500995       0.47101602      11.29269994       1.05609207       0.08590921      -0.05181532
Cl       0.39881605       6.05727001       3.28386003       1.82391161       1.75058950       2.09429028
Cl       1.63620005       3.15672002      10.76830004       0.43305809      -0.23771558       0.85465929
Cl      11.18049995       8.56626004       7.72347999      -0.55964994      -0.13418602       0.52732074
Cl       7.68958998      10.84120002       6.81782995       0.07281924       0.71797893       1.20432458
Cl       2.55697996      11.41690005       2.82180999       0.17063598       1.34350767      -0.35650397
Cl       8.15006998       4.58160003       9.69145998      -1.42876871      -1.42626280       0.91514679
Cl      10.73029996       8.58328002       0.60291096       0.45783280      -0.50873258      -1.57212979
Cl       3.18291005       7.72080996       5.80609004      -0.36610212      -0.05612537      -0.32013156
Cl       8.94939995       8.98851997       4.29474998       0.01007200      -0.77534633       0.56426341
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.26524898 stress="-0.016274165133542313 0.0014728311656562155 0.0011031629266425506 0.0014728311656562155 -0.010724919697941957 -0.008933570184573749 0.0011031629266425506 -0.008933570184573749 -0.018763495746798007" free_energy=-223.26524898 pbc="T T T" config_type=melt 
Li       8.56813995       6.94448996       2.54944999      -0.14298034      -0.00582695       0.09935442
Li       7.10757003       1.02537003       5.66401998      -0.03614010       0.72111437      -0.57630926
Li      11.31540002       6.97740998       5.34971998      -1.58219661      -1.71045555      -3.05951161
Li       8.36965004       8.15802000       6.73753001      -0.20774896       0.23470950       0.59172377
Li       0.32097198      10.67609994       6.26182005      -0.24764239      -1.22996779      -1.69864499
Li       9.65877005       2.00468001      11.43851469       0.11305250      -0.12019706       0.01024875
Li       2.79529002       6.76794004       5.93219001      -1.26412099       1.17892641       0.49149266
Li       6.86626000      11.13540005       2.03301994       0.47397370       0.15112575      -0.66180358
Li       5.16203997       9.49348998       6.67186995       1.82516815      -1.50878324       1.51318005
Li       9.62995997      10.44450005       1.63192995       1.45835731      -1.57704616      -0.30842370
Li       6.03441998       5.14782999       5.19882999       0.47515604      -0.55919587      -0.31551569
Li       5.78781002       4.23485004       1.11971005       0.08758106       0.02124155      -0.05606198
Li       3.43242999       1.09405001       6.97732996      -0.27692384      -0.04482341      -0.68208852
Li       7.77037005       5.60392996       9.65418995      -0.00351323       0.88771289      -1.63091973
Li       5.36351002       3.55147003       8.11090995       0.24090830       0.56691688       0.58941754
Li       4.46563001       7.49569002       2.97422003       1.29176352      -0.65550827       0.61494367
Li       8.82474000       3.10630000       2.82494994       1.36592324      -0.26246845      -0.12024095
Li       4.47640998       1.03679005      10.93889999       0.77954851       0.26663271       1.65041827
Li       1.34863005       3.29038997       9.00939997      -0.06494794      -0.38856689      -0.72223956
Li       0.91322197       8.91446003       0.72307805       0.32114250      -0.10650846       0.29652845
Li       0.90508095       5.17790000       1.50938001       1.01884424      -2.11685344      -1.62351040
Li      10.19190000       0.26269206       8.08688002      -0.25649173      -6.47912888      -6.80136297
Li       0.20906800       6.91844999       8.61612002       0.04559020      -0.15152053       0.01179607
Li       9.18154004       5.06618999       6.56932999      -0.65179250      -1.00041854      -1.16124261
Li       1.05694999       1.56206995       0.94486304       0.40499144       0.91775244       0.63818725
Li       2.60432996      10.52220001       9.34123998      -0.49644570      -0.07790847      -0.01697668
Li       0.63026703       3.33774994       4.82577005      -0.30223105      -0.45614370      -0.14113097
Li       2.89726995       5.78872005      10.45840003      -3.48550049       0.25664734      -0.06952659
Li       5.02956998       7.98088002      10.06669997       0.36324640       0.55266412      -0.19747976
Li       7.37339997      10.55270004      10.04500004      -0.02776238       0.15775323      -0.03289341
Li       3.75728000       2.89314005       3.63461002       0.15484532      -0.39104421       0.77866170
Li       2.85684002      10.47120001       3.58675995      -0.80079320      -0.07825280       0.14940052
Cl       1.27610002       4.19762002      10.93510004      -0.03279568       0.19448391      -0.09939054
Cl       5.94616004       5.78540997       2.74824004       0.54345396      -0.01250236      -0.72809787
Cl      10.18609999       1.39943000       9.22840005       0.28540157       7.62958755       7.04362584
Cl       1.10061996       0.15307600       7.81932000       1.14165408       0.46954086       1.09118781
Cl       5.43223998      10.66719999      11.31610003      -0.61028665      -1.08367119       0.76073486
Cl       7.87229002       4.90400998       0.06442501       0.47485140      -0.72497204       1.34065961
Cl       8.69835995       7.05025000       4.88835997       0.44674257      -0.12255878      -0.90496228
Cl       9.40266995       0.78877297       2.11551003      -1.25905146       2.71823685       1.26726054
Cl       1.86483001       5.28591002       6.93415995      -0.82445595      -2.07504345       0.97662885
Cl       6.97344999       2.77365004       3.61412003      -1.33178219      -0.64729855       0.63800550
Cl       2.29778004       1.20040001       4.63753998       0.19933370       1.00137166      -0.02863739
Cl       0.08299967       6.29336001       2.74939002      -1.68000364       2.26537749       2.28181864
Cl       9.55780000       6.48740005       7.91257000       1.40003945       0.77607011       2.49860705
Cl       8.10526001      11.03350002       6.87011005       0.34717222      -0.28509188       0.11093036
Cl       6.96413996       5.68507000       7.17304001      -1.29517644      -1.33535251       0.64539445
Cl       4.74439005       5.81440004      10.47700002       3.19956750      -0.38847678      -0.04550569
Cl       4.12188996       9.28895002       8.39173999      -1.30946014      -0.03627107       0.72715986
Cl       0.07164522       3.04220000       2.42920001       0.23475489       0.26696916      -0.12160639
Cl       0.28388504      11.14989995       0.47337503       0.49091556      -1.19343417      -0.67200729
Cl       4.48764005      10.35809996       5.16032996      -0.44278157       1.46016080      -2.47876842
Cl       1.51193001       7.92765997      10.18649998       0.07381466      -0.14673343       0.28794754
Cl       7.73434997       1.20568997      10.99389999      -1.34223582       0.05667556      -0.24674440
Cl       7.03565999       8.61328995       8.84293003       0.61031350      -0.26365450       0.31380024
Cl       9.89808999       3.16748005       5.62617995       0.30858557       0.08672434      -0.00939244
Cl       4.55278995       6.66682005       5.12492998       0.54210337       1.05254817      -0.01059289
Cl       3.76435002       2.73216998       1.50273004       0.20516441      -0.22144051      -0.84504628
Cl       0.01811987      10.41119998       4.15037996       0.07601045      -0.49973594      -0.43276147
Cl       0.46925694       8.01259997       6.74543004       1.70693076       3.23464215       1.79922433
Cl       4.73104999       3.07047997       6.18613998      -0.09693816      -0.52643962      -0.61445632
Cl       3.68170999       1.70173997       9.24949995      -0.67788231       0.82111213      -1.38156631
Cl       8.15123005       9.02139998       1.55176001      -0.85250846      -0.64397978      -0.06676149
Cl       2.77538000       8.18100004       2.19306003      -1.10431214       1.18057730      -0.65615821
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.52138623 stress="-0.01669072652342625 -0.0009469770937254212 0.007137754734112771 -0.0009469770937254212 -0.022305607225847245 0.0006698619403546849 0.007137754734112771 0.0006698619403546849 -0.01637077678546038" free_energy=-222.52138623 pbc="T T T" config_type=melt 
Li       6.08893997       7.19228005       6.17017998       0.27886268      -0.32733293      -0.13834746
Li      10.68420003       1.06244001       4.92696995      -1.51815442       1.08394493       0.18738394
Li       0.84770601       7.25829000       6.79046002       0.94513553      -0.74765362      -3.75090524
Li       8.88067995       8.07849000       5.94666000      -0.23376003       0.21307861       0.16543283
Li       8.20118004       4.44800998       4.01878000      -1.62748099      -1.19593486       1.30399265
Li       8.83193005       7.15404003       2.51914004      -1.11294118       1.81654333      -0.88788141
Li       3.82292000      11.04319995       0.59825600       0.98374174       0.18362047      -0.37786581
Li       6.58166005       1.49636003       6.09845005      -0.82449320      -1.64088091       0.11159787
Li      10.21309997       0.56370702       8.72242004      -0.28623293      -0.50956709       0.03962678
Li       0.70960902      10.38780001       6.70784005       0.12792087      -0.32425418      -0.70258555
Li       3.21110003       3.23930995       5.37513996      -0.53750194       0.05547778      -0.05527668
Li       9.17250997       3.87366996       7.68862996      -0.17864030       0.38679527       0.24630198
Li       4.20633000      10.53799996       5.96849005      -1.63254512      -2.10199268       2.40442796
Li       3.16917997       5.57306995       9.10586994       0.37178392       0.84125193      -0.23397084
Li       8.96941004       9.34838005       0.60655695      -0.48474646       0.42693122      -2.51075299
Li       8.16559996       8.21051999       9.30918998      -0.20197778      -0.13542084      -0.16416850
Li       2.68679998       0.92559101       9.33331002       0.62142786       0.69401581       0.43991554
Li       1.02970994       3.42500997       0.46038600      -0.28736492      -0.42039703       0.42498790
Li       4.88943005       6.64308005       0.66648200       0.74142932      -0.18398499      -0.28425426
Li       8.82765995       2.80238996      11.03549996      -0.42047701      -0.17015101      -0.07142573
Li       6.51770003      10.37849996       2.75708003       0.08892739      -0.51804662       0.97688181
Li       4.52899996       2.75757001       1.16009997       0.82784867       0.70710750       0.50246637
Li       0.74644295       0.33003301       2.14282998      -0.38500233       0.94683443       1.03702858
Li       4.68212996       8.93774994       8.82562997       1.70077439      -0.10068842      -1.88981565
Li       3.68024004       6.19774000       4.40623999      -0.63669601      -0.72285750       0.46764202
Li      10.16389998       6.32071997      10.40949994       0.19428014       2.65760117      -0.19806486
Li       1.42953004       9.29696998      10.18329995      -2.41562077       0.03601347      -0.20810998
Li       6.39710005       0.46643398      10.26769998       1.47918573      -0.31966553       1.05103485
Li       5.94402998       4.14447001       9.32601003       0.23401397       0.31734882      -2.42061275
Li       0.95704005       3.73442000       8.29123998       0.09767784       0.28843985      -0.05937873
Li       2.08000996       8.27565005       3.13559995      -0.62218738       0.53151140       0.38162883
Li      11.45618929       4.60479995       4.45856996      -0.39537695      -0.62213516      -0.03532035
Cl       1.12901996       6.32273000       4.65304003       0.12024378       0.24122382      -0.43516875
Cl       1.02551001      11.30080003       8.68796002       0.50011176      -2.84386510      -0.67128982
Cl       2.13157996      10.43110002       1.52476003      -0.87576902      -2.60024445       0.71246980
Cl       0.46351804       7.55162998       8.53985000      -0.41598583       0.48020764       3.69176847
Cl       8.50639001       9.35738994       2.44537004      -0.60609818       0.53898592       2.73786719
Cl       7.62865996       2.66090997       9.08117004       0.72291715      -0.56762435      -0.10677779
Cl       3.53451998       3.99254995       3.26197002       0.34920210      -0.20752041       0.21919371
Cl       8.87344003       6.40542002       7.74291000       0.20344901       0.02978361      -0.06271713
Cl       3.48325997       4.71993995       7.14964004       0.18692218      -0.53117771      -0.65615769
Cl       9.96429999       4.43041999      10.41599996      -0.05556579      -1.11882262       0.58205351
Cl       5.52671998       6.99547001       8.26646005      -0.89053069      -1.62868456       1.50320546
Cl       9.52508003       5.48578000       3.12196995       4.17362335      -1.28622052      -1.81305042
Cl       7.51936995       3.24638995       5.98349003       0.83864582       1.19114543      -0.71684839
Cl       5.07335998      11.36479995       4.57091005       1.84948712       2.05695351      -2.35794026
Cl       8.44949004      10.68289998       9.85007999      -0.07148874       0.07318614       0.11140338
Cl       5.85694994       4.07603995      11.23939998      -0.83112163       0.17083564       2.91647769
Cl       5.06129004       0.95032095       8.87780001      -2.12217845      -0.12638926      -1.36226867
Cl       1.84310004       4.34943999      10.20619997       1.01579873       1.03975240       0.40779568
Cl      10.08739999      10.34269999       5.74855999      -1.22404585      -0.65255292       0.81241602
Cl      10.91410000       2.84834005       3.26366994      -0.09078957      -1.44656598      -1.10505620
Cl       3.37598997       9.02811002      10.23649994       0.77833228      -0.06167953       1.86994828
Cl       7.58086997       6.60787003       4.51566001      -2.18610502       1.07431857       1.16780191
Cl       6.59570001       9.16225001       6.80771995       0.35091515       1.81528135      -0.31172963
Cl       0.05451987       2.14856005       9.46007997      -1.10333486       0.58700288       1.01575703
Cl       7.46127001       7.03767002      11.26849999      -0.19527150       0.52325073       0.29496111
Cl      10.62799995       8.45355997      11.33320003       1.40190063      -0.54299504      -0.16944852
Cl       3.84014003       7.21712005       2.54866996       0.74900779       0.49310176      -0.82685852
Cl       2.86580004       1.63790995       0.74837101      -1.19678753       0.51576223      -0.95803592
Cl       0.54185496       3.09363999       6.29516999      -0.39866419       0.16608169      -0.27421833
Cl       6.00082998       0.26221503       1.28173999      -0.25542769       0.75251295      -1.34967912
Cl       2.46880004       8.55865005       5.85297000       1.15561697       1.47235226       0.29234951
Cl       0.93696805       0.21751993       4.68331995       3.23118041      -0.75294871      -0.90983669
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.77468737 stress="-0.012101568409055142 0.0027574629742094414 -0.0035573638673831788 0.0027574629742094414 -0.014858308579058753 -5.442304479294023e-05 -0.0035573638673831788 -5.442304479294023e-05 -0.011917995520659641" free_energy=-224.77468737 pbc="T T T" config_type=melt 
Li       6.26966001       4.74375998      10.87849997      -0.18883297      -1.14727028       0.94966673
Li       7.01952998       6.13952003       7.34485999      -0.31052576      -0.82811529       0.42065695
Li       4.04059996       7.81017999      11.36949996       0.19922305      -0.42051108      -0.09423124
Li       8.20938995       5.04227997       3.96273996      -1.62172109      -1.33984914       0.98937294
Li      11.29870000       9.21438004       3.03771001       0.63883100       0.78356100       1.37151462
Li       5.66886994       2.44885002       6.29444005       1.03681522      -0.02179976       0.37467632
Li       7.51385001       7.91837998       2.36141001      -0.23851539      -0.88484797      -0.89946201
Li       4.12280997      10.01209996       2.92042997       2.40476381       2.96210594       0.89168684
Li       2.30346999       2.52246996       4.23021996       0.67186430      -1.42161372       1.75889305
Li       8.92018999       2.68332997       0.81830300      -0.08807154      -0.37036730      -0.26357823
Li       1.95215997       5.82119996       2.10443003       0.39877195      -0.67538677       2.36022611
Li       7.76603999      11.09369999       3.02263001       0.16429130       0.54312721       0.12541051
Li       5.82492001       0.55942603      10.86080004       0.29945383      -1.63246316      -0.20398298
Li      10.37089994      10.67110003       0.16893305       0.73538880      -0.19054420      -0.18226132
Li      11.02669998       0.32938000       4.47192000       0.37566963      -0.14071521       0.60376347
Li       8.40080995       0.91306296       9.02702997      -0.11170374      -0.54412894      -0.16370158
Li       1.30047996       4.31062996      10.71220004      -0.34588690      -1.60155247      -0.45524162
Li       9.38399005       2.42321004       5.81683001      -0.10536562       0.62499916       1.32094315
Li       3.01199999       7.52678000       4.52656002       0.20073012       0.04142304       0.42343958
Li       0.78794903       0.10923097       7.42466995      -0.16197293       0.06770589       0.18347467
Li       1.96081997       1.05699998       1.41574000       0.32103428       0.56843603      -0.50477627
Li       0.89301296       8.63781996       7.74132999      -0.88681408       0.64647417      -0.38587891
Li       9.65684003       4.65398996       8.59072997       0.64998048       1.49017000       0.06776806
Li       7.66513999       7.79509999      10.14969998      -0.66455288      -0.44513789      -0.72969624
Li      10.84239999       5.25298003       4.17357999      -0.16380515       0.06691260       0.09306739
Li       3.49727001       5.99695001       7.86723003       0.99419186      -0.11341278       0.11882565
Li      10.62890001       6.54126004       0.12511897       0.14448246      -0.78311600       0.05439826
Li       1.11533998       4.15151997       6.56179005       0.79428060      -0.58493476      -0.25929077
Li       4.32670001       9.63070996       7.30802996       0.12478908       0.00403965       0.06645230
Li       5.19549996       2.85188000       2.52969005      -0.02589972      -0.06520457      -0.38999967
Li       8.61155999       8.56623000       5.92651004      -0.11155408       0.38630072      -0.47842402
Li       3.73539996       2.82441995       9.32084996      -0.03286497      -0.69552786       0.01323875
Cl       6.73401002       9.22531995       3.67043005      -0.60791466       0.93529134       0.75739282
Cl       8.39238004       7.63496005       7.80600000       0.87730358       0.44135257       0.80294224
Cl       9.09028001       1.13598004       4.23617003       0.19866015      -0.66762136       0.68351234
Cl      10.61650002       4.13571004       0.03951084       0.27584285      -0.05898129       0.47319426
Cl      10.53850004       4.56644998       6.41584999      -1.14718878       1.69306685      -0.82063306
Cl      10.06610004      10.52129995       8.81679995       1.06162687      -0.34550997      -0.29599748
Cl       5.42219005       6.34031999       9.99899996      -1.46024104       1.56392538      -1.58777512
Cl       1.86712998       1.39701000      10.44079995       0.11774368       0.15006788       0.14269143
Cl       7.31443001       1.73752996       2.38290003      -1.95313119       1.33973603      -1.51919489
Cl       2.35864998      10.29169999       6.12150001      -0.21754565       0.88934485      -0.37083348
Cl       3.67006996       0.77834196       2.97876000       0.62515647      -0.00580631      -0.08210420
Cl       2.17474997       4.31317996       8.49923000      -0.16240562       0.24298626       0.35046122
Cl       6.89747999       4.60869998       5.73041994       0.64074198      -1.13013933      -0.59332712
Cl       5.14385005       9.65962998      10.50020005       0.31870144       0.32639650       0.28050605
Cl       1.90547994       5.99304000       0.20478002       0.24190898       1.95551115      -2.07130081
Cl       8.99980002       2.84843005       8.44544005      -0.51677508      -2.20075407      -0.65397965
Cl       2.97325004       8.64844001       2.51615004      -2.37135393      -3.03689702      -0.82195465
Cl       2.87136996       8.02586999       7.79505000      -0.72489395      -0.82729587       1.36609851
Cl       9.01562003       6.53490001       2.95704000       1.26522881      -0.09897149       0.00762948
Cl       5.87900000       1.36527997       8.26686004       0.20101322      -0.98043895      -1.20179089
Cl       5.34954996       7.11175999       6.53146003      -0.87097927       0.90924888      -0.92471865
Cl      10.61079998       8.44019996       1.29665995      -0.46169468       0.21672382      -1.77893394
Cl      10.45449999       9.68121000       5.36584002       0.28797972      -0.55035958      -0.47566448
Cl       8.63849004       0.34981990      11.22000001      -0.92402990       0.48881712       0.69545265
Cl       1.76261002       3.37009996       2.59584995      -0.80718535       0.89183711      -2.37114424
Cl       5.40461003       5.60339996       1.45768998       0.26454964      -0.18983244       1.19501346
Cl       5.40736994       2.50843000      10.80319995      -0.45583753       2.26071582       1.57615122
Cl       3.75407000       2.99256001       5.83900995      -1.10359616       0.48641536      -0.26211956
Cl       0.05146178       1.84040995       6.16660003       1.42091249      -0.62924627      -0.02967516
Cl       1.40933995       5.82970004       4.35897001       0.66346511       1.03306786       0.52576775
Cl       8.19120004       5.25775994      10.09479995       0.66069217       1.31448803       0.43158207
Cl       0.32836495       0.06029099       2.46779004      -0.43322932      -0.69589507      -0.60419859
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.19688238 stress="-0.013871361491283598 0.0005584446361183602 0.005494225540255743 0.0005584446361183602 -0.005237552253015625 -0.0013024193668224073 0.005494225540255743 -0.0013024193668224073 -0.017905374599509326" free_energy=-223.19688238 pbc="T T T" config_type=melt 
Li       9.00568005       1.30587998      10.52250003      -0.57101758       0.13609525      -0.43225313
Li       9.14458000       6.71408005       3.84512000       0.49965681      -0.89571270       0.59539590
Li       2.75725004       0.38152505      10.35439998      -0.26397620       0.08036515      -0.40935689
Li       5.41147003       9.16930994       5.73564995      -0.25617615      -0.39326388       0.03457344
Li       4.61159999       8.87429997      11.23649998       0.16492906       0.06323624      -0.37952066
Li       6.84826005       0.79284703       4.89957995       1.09247860      -1.71166028      -1.02541826
Li       4.12064999       2.54994995       6.64446000      -0.88569520       1.65355244      -1.66754751
Li      11.09339997      10.11890005       4.35198001      -0.42229989      -0.72640734      -0.56113375
Li       0.07982085       9.40198003       9.87530003      -1.25146369       0.19886246      -0.45255255
Li       9.80761997       0.03098634       7.31569005       4.89729035       2.12921517       1.59044431
Li       0.62406795       8.28815999       1.73514997      -0.38579936       0.24523846       0.06997739
Li       9.71876996       5.91391996       8.87966995       0.61468598       0.20750908       0.09011170
Li       8.32089005       6.91822002      11.41314401       0.44218903       0.42953038       0.26490008
Li       6.29239001       0.16968797       8.05179003       0.02992081       0.24113055       0.30386153
Li       3.10527005       6.78913005       9.07696001       0.05598323       0.09980391      -0.11062077
Li       9.54413997       2.72003997       3.45414999       0.25707596       0.43518002       0.56505797
Li       0.15192796       2.59019003       8.33431999       0.02349550      -0.28328576      -0.36458869
Li       3.00390999       3.52343001       9.60172998      -0.77490629       0.04617320      -0.12690632
Li       2.85654997      10.00079996       1.98620005       2.43530928      -1.53274291      -0.88152532
Li       1.01139002       1.46127004       1.61828001       0.49417071      -0.69391973      -0.30211476
Li       5.71905999       7.80111002       2.85751996       0.02138467      -0.02995976       1.77677772
Li       0.30388104       4.50718997       0.43973700       0.90279877      -0.03562580      -0.05969095
Li       4.78314001       5.17524005       0.78047902      -0.11687673       0.78136011       1.16703642
Li       2.00182002       3.34939994       4.70765002       0.04520441      -0.22752272      -0.28281000
Li       8.42450994      10.32430005       2.13404994      -0.39294524       0.52998397       0.17364974
Li       5.44406000       0.71781503       1.77127002       1.04594996       0.06803903       0.68893268
Li       8.51425004       3.32246003       6.50859006      -0.67835756       0.51510298       0.23159419
Li       1.91290994       7.02889996       5.12020005       0.17295881       0.31870271      -0.19421808
Li       8.27773999       8.61849004       6.69285004       0.89421936       0.20486376       1.25510041
Li       6.27138997       3.27443995       9.49396999       0.78524565      -0.47631958      -0.38604971
Li       6.67603997       5.71194996       6.17800000      -0.03185064       0.13864997      -0.29805658
Li       2.73001997       0.12700301       4.62602996      -0.46032870      -1.01334728       0.30476921
Cl       0.41984704       3.18149994       2.71128997      -0.24973267       0.42684647       0.58331667
Cl       4.78336998       4.78330005      10.23480002      -0.08990922       0.03827921      -0.83955067
Cl       3.59324002       0.30163404       0.98112696      -0.09585700       0.42109283      -1.08460112
Cl       9.05449999       9.26860001       0.43587101       0.75984509       0.09415611      -1.77245453
Cl       8.22439004      10.90289997       6.80646003      -4.94896355      -2.31118802      -1.76472766
Cl       4.83905004       9.19773998       8.43451998       0.00710214      -0.11912706       0.48265434
Cl       9.94129003       8.15591998       8.77739998      -0.08672394      -0.21052804      -0.38431987
Cl      10.10529997       2.10835001       6.15512005       1.81423217      -0.76181400      -0.83872066
Cl       1.78020001       9.40343003      11.06661608       1.24265936      -0.05353200       0.25981377
Cl       8.25276001       2.42748003       8.37794995       0.18439987      -0.55461128       1.58081021
Cl       1.34424003      10.68860002       2.82986995      -3.16837598       0.96928187       0.30173572
Cl       1.83111999       3.70927000       6.91603000      -0.48772438       0.61793052      -0.43903565
Cl       5.32648005       9.85417996       3.27788003       0.59932318       1.74133436      -1.06508439
Cl       7.81614004       1.27048998       3.12576004       0.38324418      -0.33412609      -1.42737832
Cl       8.49923000       4.53733002       4.77328004      -0.12558699       0.77948842      -1.12378648
Cl      10.73270001       0.22875802       9.83578999       0.06907066      -0.52593110      -0.88311105
Cl       3.48668997       1.71764001       8.27870001      -0.12727138      -1.89070869       2.88924472
Cl       9.71648994       4.98411996       0.57139199      -1.04129010       0.46731314      -0.33273276
Cl       1.17113995       2.28992002      10.87019995       0.56024944       0.66301563       0.10123135
Cl       7.27037003       7.81896002       5.13283001      -2.77151218      -1.63441183       3.28964105
Cl       6.26673995       7.30723996       0.99078401      -0.72119305      -0.87777880      -1.89617088
Cl       2.17737002       6.78183005       1.58435995       0.63112135      -0.46801556       0.23965677
Cl       1.33782004       5.57706995       9.74061996      -0.09663084      -0.03279966      -0.01889181
Cl       8.40722995       8.46550999       3.10845001       1.49114778       1.45741366      -2.52366305
Cl       6.70637996       1.05259001      10.40249997      -0.91708372      -0.48861013       1.17096387
Cl      11.14329997       7.83827000       4.58586004       0.46865100      -0.57502000      -0.00547550
Cl       3.91027999       1.77017003       4.05079996      -0.64803003       0.82221357      -0.71978731
Cl       0.78104398      11.07320002       5.68990002       0.22915208       0.86074534       2.09101573
Cl       7.79892997       5.28609001       8.19310999      -0.74631269       0.91558701      -0.05942629
Cl       3.32037995       8.82222004       4.96107997      -0.92033559      -0.48727121       0.78289383
Cl       4.59949004       5.47105998       5.25756001      -0.34228418      -0.20840123       0.02235505
Cl       5.89655995       1.78722005       6.17554997       0.76136547       0.75634948       2.20576619
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.19938788 stress="-0.008389466295724892 -0.0024033667200045066 -0.003180988221794929 -0.0024033667200045066 -0.004999754381636275 -0.00212946508874685 -0.003180988221794929 -0.00212946508874685 -0.017872281537663542" free_energy=-225.19938788 pbc="T T T" config_type=melt 
Li       7.41049001      11.33220000       1.93632998       0.56768439       0.71379602      -0.94494008
Li       0.56432896       8.04818005       6.30194996       0.60374323       0.55023708      -0.11082027
Li       9.90350996       6.08989999       0.94221800      -0.04948890       0.57757014      -0.37448534
Li       7.97164004       5.58197001       9.36105003      -0.23904201       0.63252190       0.10302510
Li       3.60884004       8.72410002       4.29755002       2.63154989       0.41642487       5.78027301
Li       9.30940998       9.58252995       4.92447005      -0.11055759      -0.11220893      -0.14884163
Li       4.63384000       5.07115001       7.76725004      -0.79046269       0.90720244       2.21723007
Li       2.28874000       0.53706300       3.63128997       0.18433378       0.14541473       0.18008840
Li       6.85282994       9.17377001      10.67830005      -0.18080180       0.78677907       1.65058920
Li      10.39699998       4.26827002       7.78450997       0.33543512       1.12425069      -0.56940533
Li       2.94616006       7.82810003       0.85534799       0.12530403      -0.32934488      -1.14020664
Li       8.66626994       3.58533999       0.18175504      -0.72801118      -0.54743326      -1.09863590
Li      10.31029999       2.90991998       3.13250998      -0.00435026      -0.82700421       0.78682785
Li      11.39302821       0.77520304       6.87332005      -1.02578123      -0.62459831      -2.07875220
Li       2.99617997       2.33700003       8.65675998       0.17174217      -0.55759153       0.25394621
Li       7.26153004       8.16646001       2.01858997       1.33321621      -0.49741698       0.54723297
Li       2.56971001       3.73855000       5.54043000       0.17078508      -0.17939479      -0.28278607
Li       1.47470996       9.67628999       9.12765999       0.03374542       0.37276679       0.58161654
Li      11.16610001       1.08023005      11.33559997      -0.06694909      -0.44843374       0.31689812
Li       1.69459004       5.38602999       9.75347004      -0.13226565       0.52116701      -0.14999331
Li       4.71624995       8.70760005       8.74441999      -0.37142116       0.72097484      -0.19483124
Li       6.74719004       7.65120000       6.29132005      -0.17508677      -0.34827877       0.73820554
Li       7.10538001       3.35640003       6.17189000       0.60642621      -0.33747865       0.76669731
Li       4.94510999       5.32395000       0.55952600       0.31614518      -0.22954669      -0.37167297
Li       5.95335995       2.60681003       3.32796999      -0.03361575      -0.23814099       0.08428977
Li       6.15244004       1.09984004       9.67896002      -0.72368374       0.12605018       0.63975714
Li       0.24224001       9.63211995       2.17557001       0.12880291      -0.05703244      -0.26137224
Li       9.31550004       8.32275999       9.05952995       0.57083143      -0.25031382      -0.13526611
Li       2.05573997       3.83100002       1.77390004      -0.14612908      -0.99803892       0.33863316
Li       9.29735002       6.04286996       4.56076003       0.39497316      -0.25140149       0.28242131
Li       4.29966002       0.49125999       0.67363204      -1.81016981       0.16135063      -0.06474562
Li       5.92528003      10.83530004       5.85423004       0.36948440       1.04134205       0.00621111
Cl       2.83359000       7.70848002       9.15763999      -0.49412459      -0.12793694       0.00627409
Cl      10.44780004       7.62540996       2.67997002       0.25990511       0.31080004       0.25211020
Cl       7.46834003      11.14210000       3.98190996       0.51939243      -0.64308575       0.98078789
Cl       7.09593000       0.92811304       7.90770994       0.60363591      -0.10485261      -1.46712460
Cl      10.50860005       9.34792996       6.98839998      -1.15498065       0.47339389       0.87629614
Cl       6.81315001       8.13704003       8.97822997      -0.34250202      -0.99079511      -2.54796972
Cl       4.73083996       9.07037997       6.21611002      -0.07645970      -0.79399108       0.25094697
Cl       8.44516995       5.58194995       7.03785001      -1.06428825       0.32681881      -0.17278653
Cl       9.22429997       3.90334995       9.45211000      -1.13210799      -3.35560552       0.95149405
Cl       3.96632003      11.19950005       9.58430003      -0.42943122       0.03410224      -0.43854381
Cl       8.95158997       1.75772005       1.29787000      -1.29992719      -3.62830274       0.07250305
Cl       1.29004001       0.79131700       1.56201000       0.33651347       0.15822706      -0.13908014
Cl       5.27514999       4.40452998       6.11272995       0.30595227      -0.34430459      -2.86646995
Cl       5.51454996       8.03184001       1.00115999      -1.34828205      -0.17919810      -0.83789886
Cl      10.23630001       3.95489002       1.38110996       3.71943304       3.14110645       0.19007295
Cl       0.23955496       9.95074004      11.32810003      -0.08941266      -0.36392288      -0.77607591
Cl       4.62276000       1.00745995       4.95200003      -0.40193763       0.48675498      -0.60434009
Cl       1.33471998       2.52987003       4.11743999      -0.25561930       1.48949149       0.19347293
Cl       6.12595996      11.36380003       0.11346003       2.20221989      -0.87652763       0.38986434
Cl       7.72616000       7.63572001       4.40843999      -0.23840242       0.52432334      -0.58765149
Cl       1.03953999       0.84382398       8.43456997       0.99885405       0.49724285       2.09285780
Cl       2.41170002       5.57075004       0.55763405       0.02306837       0.57493598       0.16013477
Cl      11.27699995       6.19163000       6.08101998       0.29378181      -1.43599340      -0.67828931
Cl       4.26317002       2.63547004       1.11928002       0.22483877       0.52388566       1.03204053
Cl       0.90979403      10.98779996       5.11844005      -0.04674742      -0.62261262      -0.32332873
Cl       8.41846999       3.32642002       4.45108000       0.09641050       0.01880107      -0.42985067
Cl       4.52070005       4.31579003       9.82326997       0.87966513      -0.15140225       0.46362566
Cl       2.91288005       8.65715000       2.74166997      -3.20723238       0.39567551      -4.65137315
Cl      10.76969994       6.09877999       9.67700994       1.65205380       1.52265562       0.05058859
Cl       8.67461995       8.00751006      11.20400000       0.46401269       0.48485620       1.07837930
Cl       7.42522998       5.13472002       0.86867200      -1.26745657       0.62482588       0.21260223
Cl       2.54870997       4.27116005       7.63788000      -1.68721108       0.06644414      -0.08045640
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.44901447 stress="-0.006619674805081265 -0.003935716716956853 0.007244826325205107 -0.003935716716956853 -0.022272621854999924 0.003833319204803616 0.007244826325205107 0.003833319204803616 -0.014561938657144086" free_energy=-223.44901447 pbc="T T T" config_type=melt 
Li      10.25560001       2.77652998       0.82456502      -0.00259636      -0.61562700       0.28886605
Li      10.27609998      11.22830004       0.42711196       0.01391301      -4.47607915       4.06323710
Li       4.95426995       7.81391998       3.39017002      -1.27053058       2.36246777      -0.37663687
Li       1.81732995      10.02130005       6.26422996      -0.44720164       0.14042434      -0.33156087
Li       4.00924997       7.51592998       0.19194598      -0.09833579       0.21650608      -0.11548648
Li       6.86930996       9.48136994       8.63485002       0.26298068      -0.34165601       0.38558824
Li       2.11308006       5.25910998       4.72537998       0.21218262       0.45838532       2.11938729
Li       3.59988002      11.32241008       2.51031002       0.51351605       0.65568637      -1.01494358
Li       7.61645005      10.56239996       4.68326996       0.21389958       0.87611367       0.32491970
Li       1.80034997       6.85264995       8.64839002      -1.37947279       2.08683097      -1.65636954
Li       3.60675996       1.91551004      10.75120003       0.39829419       0.58426295       0.24142470
Li       1.39453005       1.17599003       7.33787996       0.27042474      -1.99500221      -0.20776608
Li       6.90056996       5.00081998       9.31015997      -0.03493705       0.07338418      -0.21552675
Li       9.95122005       7.23878995       3.72940999      -0.05376320       0.64265031      -0.38756850
Li      10.39819995       7.94493996      10.68540000      -0.30308099      -0.38135947      -0.32257219
Li       7.42772002       8.74437998       1.32016998      -0.09638831       0.23491757       0.23112430
Li       7.58565997       3.49890000       4.09743998       0.07156846      -0.13797751       0.59576629
Li       0.83103202       4.17559003       9.63271999      -0.36052538      -0.99582877      -0.83076577
Li       4.41651004       7.47521000       7.34735003      -0.41313454      -0.15714842       0.15932857
Li       9.90524003       4.51887998       7.33042004      -0.00886836       0.24379451       0.07644206
Li      10.69999999       0.40497294       4.51319003       0.46408165      -0.08991980      -0.23841034
Li       6.20166995       0.97123604       7.55170002      -0.13438524       1.08705267       0.03809619
Li       7.29265006       6.28447003       5.71488000      -0.40909461      -0.32766526      -1.18876512
Li       1.28856995       9.12951995       2.93627005       1.05549202       0.25640041      -1.41731853
Li       9.23022998       1.05955995       7.51366005       0.67986023      -0.17451594      -0.07588797
Li       8.39833997       5.29938995       0.53344705       0.13842010       0.08852622       0.10985552
Li      10.31310002       8.90567002       6.39008998      -0.01287146      -0.13389235       0.66893300
Li       1.37792003       2.25014997       2.92515004       0.50523619       0.32619459       0.33684939
Li       7.05245000       1.23913999       0.32596204       0.24293206      -0.01803557      -0.13193785
Li       0.73616499       5.85341998       1.34573005       0.04599286       0.26529919      -0.56094775
Li       4.51738997       4.88575999       1.96775999       0.05165513       0.09862225       0.25319159
Li       1.87573002       9.73827999      10.44100000      -0.00756894       1.10152294      -0.25264404
Cl       8.93662002       1.28185005       5.28142004       0.45625611       1.58860688       1.08288670
Cl       2.24759997       5.52820002       9.88391005       2.42940871      -1.14928848       2.58945993
Cl       0.96692295       2.96202994       7.88751997      -1.29655394       2.42249933       0.21870267
Cl       3.11966001       8.54373995       9.26802003       1.40340659      -0.11995276      -0.59228040
Cl       7.55912005      10.60099997      10.75169999      -0.37878270      -0.44608666       0.25184544
Cl       0.43452705       9.02050003       0.34019804      -0.11154718       1.08841894       0.45844522
Cl       8.46822003       3.22485006       2.15289000      -0.65924067       0.48144955      -1.05087295
Cl      11.03391812       1.29900004       2.36001996       1.35144196       0.48800125      -0.61242174
Cl       0.26581985       8.92177997       4.64578005      -1.21233786      -0.79647031       0.94194186
Cl       9.12809001       5.56558996       9.57173999      -1.26032807      -0.52293331      -0.20979027
Cl       7.75351996      10.87189999       7.16039995      -0.97243409      -0.80558099       0.56998686
Cl       1.95724999       4.82205998       2.83883995      -0.19166804      -2.72493409      -0.80489730
Cl       9.07842996      11.03020003       3.20025000      -0.94558196      -2.38808961      -2.03475610
Cl       6.96686995       3.21492004       6.23756003      -0.68685778       0.77922995       0.50554900
Cl       3.94136997       1.99394005       1.64799003       0.03979755       0.21093887      -0.21530891
Cl       6.59535001       7.19084003       7.40403998      -0.45312051       0.71319681       1.80526389
Cl      11.24250004       4.39413004      11.33104807      -0.50012106       0.41751281       1.92440206
Cl       2.56940999       6.35161001       6.65809997       0.24679440       0.06593563      -0.98311018
Cl       6.97142001       8.61888005       4.36197996       0.29877429       0.71676695       0.17950528
Cl       5.83917996       2.98452997       9.39455003      -0.02837780      -0.64457841       0.64169352
Cl       9.50206996       7.52127004       1.41629005      -0.64493873      -0.74030501       0.25673577
Cl       4.41177002       9.50684999       1.61023999       1.36630238       0.07073983      -0.91639739
Cl       3.04325999      10.52610004       4.25152999       0.24030861      -1.47578685       1.46331220
Cl       1.28838996       1.20532002       5.09804005      -0.05745198       0.77743047       0.20066249
Cl      11.19239999      10.63699998       7.55518001       0.54662688       1.22942668      -0.27542620
Cl      10.30590000       1.10527996      10.79359999      -0.25895515       4.44212470      -4.62799881
Cl       9.37504998       5.91170999       5.32711998       0.75307514      -0.55129735       0.35223061
Cl       2.45544003       7.34566994       1.91086001       0.12099784       0.42975075      -0.10014931
Cl      10.88949995       7.84021996       8.52565998       0.42316503      -0.52091859      -0.41686846
Cl       6.04351998       6.21414997       0.66123801      -0.04292991      -0.01161409      -1.25889790
Cl       2.91628999       0.49100904       9.38502000      -0.23560527      -0.65327373      -0.46512343
Cl       5.98557997       6.21717000       3.62376997       0.15278287      -4.32525401       0.55377406
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.19744877 stress="-0.021550555888625783 -0.0014559363054712727 -0.0014066310734672282 -0.0014559363054712727 -0.021488588862824082 0.003298639582795241 -0.0014066310734672282 0.003298639582795241 -0.018931299156553016" free_energy=-222.19744877 pbc="T T T" config_type=melt 
Li       6.77067003       3.03951999       2.12190996      -0.29342799       0.02129822      -0.16303655
Li       3.67717999       3.12666996       3.86099000      -1.50384179       1.32626541      -0.49111639
Li       3.76721001      10.32840002       0.78664095      -2.19651196      -0.41312883      -0.01787859
Li       9.62942000       8.93479996       7.05160004      -0.71659315       1.49515902       0.12596453
Li       3.38714998       2.25120996       0.15687904      -0.82286225      -0.85005532      -1.21058654
Li       3.40736002       6.93854997       4.56578998      -0.88899413      -0.05282764       0.26047080
Li       0.25282704       5.59289994       4.28335999      -0.78750460      -0.49550425      -0.89603366
Li       9.51106002       0.86526700       8.34497994       0.67977677      -0.04168727       0.17088874
Li       2.49383998       3.92894005       7.18302001      -0.26581491      -0.07317859      -1.70987302
Li       0.59651596       3.56155997      10.24779994       0.51650311      -0.54808911      -0.48653141
Li       9.37723003      10.77170000      11.33430003      -0.27277031       0.10969703      -0.26477492
Li       5.99493001      10.20839996       3.55773996      -0.18516426       0.48716092       0.39667776
Li       4.77232999       1.53052003       6.54343998       0.37886055       1.48226447       0.09570740
Li       4.27262002       5.98415003       1.57119002      -0.13313343      -0.26806404      -0.88501289
Li      11.10640000       7.18024004      11.25469998      -0.06152901       0.21616317       0.22491743
Li       6.41910000      10.14370004       7.97200999       0.16029976       0.64593334       0.68711863
Li       7.86756994       3.06510999       6.45953004      -0.81351985       0.01351527       0.40157647
Li       8.77747002       3.76492002      11.11070002       0.10682236       0.26603117       0.10353206
Li       6.15354004       6.35429002       5.29959001       0.75996802      -0.69034276       1.15038234
Li      11.46040000       2.38327995       6.08296994       0.08402546       0.34975394      -0.44023661
Li       2.89802005       6.51670998       9.29106003       0.27038343      -1.12286655       0.60079811
Li       5.70173001       4.56943998       8.29110998      -0.81002290      -0.63675303       0.93915027
Li       0.60871498       2.05253994       2.53296998      -0.22733636       0.07399088       1.34620336
Li       9.91224998       5.54771004       7.46772004      -1.96997761      -5.02711435       0.94234059
Li       0.78526398       9.16876000       2.49308999       0.52975238      -0.66468534      -0.12770835
Li       6.16867002       0.65884404      10.33050005       5.05382464       1.19230637      -2.50055114
Li       8.10460999       7.48775995       1.44247000      -2.44121922      -2.92857713       3.30742317
Li       9.39349004      11.10670002       2.98664994       2.54094047       2.42672586      -1.33414596
Li       6.50086004       7.30564000       9.82713997       1.53266358       0.60615732      -0.63829188
Li       1.24480999       7.84850003       6.52376005      -0.53111244      -0.01307355      -0.77235453
Li       2.06944999      11.46049997       5.52996999      -0.44553604      -1.44386979      -0.84816765
Li       2.36216000      10.61559996       9.14093998      -0.35664309      -0.35366391      -0.11913711
Cl       2.59586004       1.70802996       6.42185005      -0.23512468       1.67380565       0.78936287
Cl      11.33489996       0.25847905       5.88193004      -0.87575084      -1.20513921      -0.15461581
Cl       5.21456999       9.52918000       1.75242997       2.03645150      -1.27482036       1.04886556
Cl      10.52510001       7.16916004       7.11523998       2.42093730       3.58465470      -0.96669515
Cl       4.78911003       6.47316004      10.41110001      -0.78166078      -0.07747096       0.48023299
Cl       1.61147997       5.76116004       5.82175002       1.33084254      -0.24161904       1.10620882
Cl       4.06670998       3.45446996       1.54345001       1.72601752       1.33852465       0.85660631
Cl       2.45576000       8.41445004       0.85715499      -1.15197334      -0.40330161      -0.32017487
Cl       9.65169005       3.74781004       5.62655001       0.65311506      -0.03132090      -1.14601245
Cl       7.88998995      11.06910005       9.29965996       0.08351558      -0.11160222       0.96868241
Cl       1.63622998       3.97757004       3.23915003      -0.44895532      -0.05697864       0.75974668
Cl       3.09302001       4.18843999       9.05300001      -0.08722744      -0.09054223       1.77958448
Cl       7.10199002       5.03535004       0.52579396       0.54732965      -0.22007593       0.32152172
Cl       9.96830996       5.77509005       2.99204996      -0.34153877       0.77490618      -0.62432970
Cl       5.13750996       1.95835997       4.38940000       2.35548167      -1.91552607      -0.44525390
Cl       2.31498002       8.15723997       8.27721997       0.19198986       1.91310824       0.30798073
Cl       5.07033994       4.41097004       6.21733005      -1.84728181       0.24353948      -0.91585508
Cl       0.97743306       2.39184996       0.62034698       0.37562291       0.02274916      -2.51773445
Cl      10.83970003      10.69980005       9.64243001       1.35839087      -0.00396479      -0.30908562
Cl       8.11621998      10.01059997       3.71413005      -1.76524867      -2.39868008       1.77854452
Cl       8.20880000       1.20469005       1.37624005       0.23991933       0.17997806      -0.23342768
Cl       4.95986005      11.04749997       6.99233005      -1.32002207      -1.30898101      -0.50132460
Cl       7.52212998       8.53246001       7.73934002       0.21708185      -2.22460288      -0.40044664
Cl       6.43607000       2.08993001       8.75795002      -0.18601718       1.76701760      -0.88229152
Cl       5.21283005       6.56718995       3.45182996       0.24185620       0.20002053      -0.37006625
Cl       9.12752001       8.42524996       0.31487700       2.67427764       2.44750705      -2.91131383
Cl       7.47420000       5.10917003       7.35883999       2.02776392       1.34805753       0.75605079
Cl       4.69534002       0.28136496      11.16500001      -5.13936398       0.04197241       1.48755993
Cl       0.61708998      11.26459996       2.46229005      -0.67999477       0.27330721       0.10043126
Cl      11.00819996       2.76275003       8.12684003       0.06507301      -0.05649457       1.66737545
Cl       2.00596000       8.78200999       4.39726002       0.14632277       0.14781385       0.57553013
Cl      10.74159996       5.20955998      10.31670004      -0.72213473       0.57521728       0.06662842
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.9117052 stress="-0.015556498245215189 -0.002911002900336417 -0.0023477805387784123 -0.002911002900336417 -0.010812166021590222 -0.001309783586126836 -0.0023477805387784123 -0.001309783586126836 -0.014641071424626794" free_energy=-223.9117052 pbc="T T T" config_type=melt 
Li       4.72422003       9.94133004       4.91943001       0.26189984       0.24181424      -0.15513580
Li       1.56640001       2.29618995       4.05785004      -0.10881691       1.13672532       2.06079545
Li       4.35220001       3.44442002       0.23764696      -0.43294953      -0.42566423       0.74778391
Li       7.45182001       6.06703998       4.02563999      -0.48276709       0.62177721       1.83348403
Li       6.69946000       0.40331097       6.77315996      -2.56375430       0.67923377       0.66431651
Li       0.95096100       8.14347000       5.95642000       0.44138065      -0.22336233       1.11413933
Li       3.65242001       2.46757004       8.59363995      -0.25363454      -0.62532922      -0.30657505
Li       2.32844000       5.56742998      11.13550001      -0.83976734      -0.91682809       0.16776486
Li       2.73168997       5.46468997       3.61197999      -0.32119714      -0.34481250       0.09854477
Li       7.25991002       0.09860955       9.93690999      -0.00183832      -0.29704817      -0.13137682
Li       6.54808003       0.27123604       3.16689995       2.07684072       0.84703074       0.36456876
Li       2.35808995       8.67016000       0.46648396      -0.08563152       0.05909591       0.00015472
Li       7.56881998       3.64951003       1.23614001       0.66604981      -0.13073597       0.22930722
Li       3.76523002       8.86945998       8.60140998      -0.19406379       0.15865698       0.13936149
Li       9.94970997       3.04047004       4.13735998      -0.20180198      -0.12279945      -0.67442591
Li       4.96131005       3.24171000       4.36256005       0.29957578      -0.07223953      -0.90593850
Li       4.90409997       6.73085998       6.14220003      -0.43282684       0.27379566      -0.29974487
Li       9.82607000      10.52900005       1.05413998      -0.18277014       0.29876163       0.11522439
Li       6.12912995       6.75019999      10.57860002       0.31854694      -0.09646204       0.12058756
Li       1.22134995       4.32319000       7.16741002      -0.48923267       0.20911194      -0.61230673
Li       2.70663995       0.33905597       0.26001503      -0.26148238       0.45087555       0.51168863
Li       6.28622005       4.25734995       8.17842998       0.09599566       0.05090579      -0.23658992
Li       7.70694999       8.29784994       7.34226998       0.12291961      -0.47331190      -0.04302692
Li       0.52579900       3.25850001       1.16685999       0.30016168       0.03845461       0.51676941
Li       9.67668998       5.24961996       6.37088995       0.23079616      -0.58543635      -0.01066520
Li       9.43941996       9.12383000       4.95460001      -0.63936098       0.31599095      -0.02612663
Li       0.77074000      11.32909995       8.60040995       0.58394040       1.40840563       1.12622684
Li       6.55042000       8.56758003       2.37877999      -0.44596088      -0.20574236       0.34864209
Li      10.15519997       6.77134998       1.80958995      -1.17928206       0.93894038       1.80607778
Li       9.81437002       1.27732005       6.90090999       1.43553417       0.54432672       0.34347786
Li      10.33710003       8.00902999       9.94826994       0.21373901       0.03589526      -0.11585764
Li       9.57172005       4.14615996       9.66375999       0.30308382       0.67948401      -0.40856603
Cl       3.00391997       7.28752002      10.35549997       0.39146984       1.13380807      -0.61357031
Cl      11.23659995       5.83666000       0.52341994       1.48436365      -1.00910473      -1.95102239
Cl       9.92359996       2.59993994       1.59431003      -0.59493543      -0.39951960      -0.33716967
Cl       0.22073199       9.52771005       0.35491990       0.97908575      -0.60713133       0.19276307
Cl       8.48133999      11.37040002       6.26673995       1.63319465      -1.63344497      -1.20794337
Cl       3.91554003       4.82558994       5.35652999      -1.68344360       0.14414000       0.18716664
Cl       5.10295995       1.44854997       5.53362996      -0.01605281      -0.89361338       0.82425625
Cl       9.03959001       6.97101005       5.65428004      -0.80375071       1.39471401      -0.84917637
Cl       2.41237997       4.17000004       8.85057006       0.72137143       1.51710827      -3.11291383
Cl       6.70478000       8.50079005       4.64258002      -1.44812729      -0.14199951       0.67874420
Cl       8.01421998      10.01929999       2.38000002       1.82325987       1.08127768      -0.37489945
Cl       0.79054099       1.98988995       6.58598002      -0.19620813      -0.29708355      -0.07460043
Cl       6.69195995       2.39751997       2.71756999       0.00405379       0.07208264       0.43521763
Cl       6.50742001       5.42274996       6.24882999       1.49068595      -0.72130510       0.90253991
Cl       1.84992003       1.27690997       2.47132998      -0.01654212      -1.91747254      -2.37768723
Cl      10.86660005       6.14419998       7.78278999       1.93015104      -0.15441985       1.36646518
Cl       5.80862995       2.23303999       9.00477998       0.71254556      -0.77538992       0.05189492
Cl       3.64500996       3.90976994       2.38990000       0.43693507       0.47164336      -0.03522806
Cl       4.85932003      10.90350001       2.87433004      -2.74276339      -1.54549743      -0.56743739
Cl       3.01259006       7.37557005       6.99642005      -0.10525927       0.82836141      -0.18940517
Cl       9.46494002      10.80016214      10.26599994      -0.93496760       0.58666894      -0.72953528
Cl       6.03208998       9.70789001       8.05677000      -0.13187651       0.22541813       0.06187513
Cl       3.14220005      11.22320004       9.54827995      -0.32792100       0.16559960       0.26899976
Cl       9.25523002       3.36427003       7.19108995      -0.77685698      -0.69507773       0.69128355
Cl      11.27043310       8.36338000       4.26124001       0.85529550       0.12605021      -1.93644484
Cl       6.10273001       4.46281002      11.31739996       0.65209101       1.03189339      -1.10364627
Cl       0.30920402       4.21486997       3.79069001       0.25399851       0.62370036       0.44086148
Cl       0.55726203       9.83609001       7.39989003      -0.56532260      -1.33745373      -0.94884273
Cl       8.29269996       6.97854002       9.37477999      -0.65776530      -0.08250918       0.33005741
Cl       8.16325001       5.56790002       2.23542995       0.71358434       0.43186793      -0.89326095
Cl       2.26280997       3.39083002      11.17630001      -0.86711366      -2.20380445       2.85242285
Cl       5.54148001       8.21646995       0.59615495      -0.44650544       0.11098285      -0.36434382
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.74470873 stress="-0.017111500994385253 0.0010427850702039154 -0.0019006585981010467 0.0010427850702039154 -0.010028890761105283 8.543818966204204e-05 -0.0019006585981010467 8.543818966204204e-05 -0.007595418920745246" free_energy=-223.74470873 pbc="T T T" config_type=melt 
Li       7.62918996      10.21679995       3.28218005      -1.32283525      -1.40838645       0.74648102
Li      11.26070004      10.15170004       3.45186997       0.80474556       0.42930553      -0.37435373
Li       3.22918000       1.55527003       9.50769995       0.57591025      -2.05044259      -0.88780123
Li       5.23607996       7.17171004       6.72655995       0.48330879      -0.68965383       0.12156438
Li       8.86856003       1.25439000       5.17516003       0.18826472      -0.51296023       0.23595001
Li       2.93441995      10.27249996       5.17680997       0.06933855       0.30196368      -0.30991958
Li       3.32911998       3.47111999       4.33318994      -0.29954886      -0.35553418       1.11403743
Li       1.39684996       4.27685997       9.13817995      -0.13760140       0.26377053      -0.40018115
Li       1.39882996       2.28863006       1.29713996       0.18642038      -0.29752921      -0.13818433
Li       6.65264997       0.08967050       9.94851998      -0.44508254      -0.12060601       0.28038772
Li       6.25124001       2.75493002       1.46889998      -0.24456106       0.61950465      -0.42907260
Li       3.02495004       9.29326002       9.03204995       0.59241538      -1.49626653       0.22574916
Li       3.92850005       4.83982996       0.70514104      -0.02214625      -0.23656796      -0.17328228
Li       5.55080001       0.13541103       6.44610996      -0.84430510      -1.36400419      -1.58491287
Li       7.93308005       5.33080999       7.78894000       0.06764793      -0.98671272       0.15207792
Li       1.09204995       6.71435004       4.46277999      -0.03460287       0.42507950      -0.01083155
Li       4.51974003       7.45365005       2.66167005      -0.44960130       0.66239557      -0.34117065
Li       9.48988996      10.66359998       0.84974998      -0.89869598       0.00514791      -0.31977520
Li       9.36459994       6.71342006       2.70209000      -1.94140222      -0.15270518       1.26067050
Li      11.12270003       3.73846998       5.32905000       0.32362127      -0.01864630       0.07407059
Li       4.47179997       0.26985001       2.00534001      -0.60562070      -0.27884076      -0.48887898
Li       5.60984002       3.31539001       8.88344995      -0.30705724       0.17972923      -0.46689278
Li       8.83010998       6.02175000      11.04510004       0.40186786       0.67825807      -0.60715798
Li       9.52708995       2.62933998       1.94700999      -0.51010406       0.24822115      -0.85267330
Li       9.72324000       2.44758998       9.70961997      -0.13402904      -1.48714143       0.51361651
Li       0.30036597       7.18006005       7.77364000       0.18414389      -0.18759050       0.36609243
Li       1.51856003       8.85670998       0.09201988       0.96907782      -0.42324335       0.20106488
Li       5.63221004       7.62025000      10.19400002       2.95961027      -1.76725846      -1.28737613
Li       9.15892996       8.19039994       5.32926002      -0.90112297      -1.32075213       4.13199948
Li       0.44436100      11.32909995       7.50968997      -0.15737569       0.01575429      -0.13083250
Li       8.59973998       9.98315002       7.91117995       0.84551032      -0.71085186       1.14108439
Li       0.88862902       5.54561999       0.34198097      -0.74712384       0.26930582      -0.06137917
Cl       1.00246004       9.18761003       5.06016001       0.39162115      -0.71094146      -0.03599490
Cl       0.37768601       5.07063996       7.07271002       0.63675823       0.00383573      -0.08858126
Cl       8.76717005       0.24294804       2.59266999       0.93457701       1.00260765       0.80176538
Cl       7.52946998      10.52159997       6.30086005      -0.04110633       0.12226420      -1.69722158
Cl       4.44150996       5.27791002       7.71093005       0.30642762      -0.27384459      -0.28415306
Cl       2.95469005       6.19909003       2.77511002      -1.40006272      -0.74418619      -0.05061001
Cl       3.59791997       3.09144997       2.27347004       0.34766240      -0.49460246      -0.71536255
Cl       5.31651002       0.44445799       4.03501995       0.34563640       0.00687377       0.25516134
Cl       2.28650997       2.03542997       5.84949999      -0.01910094       0.32717262      -0.27082699
Cl      10.45449999       6.86238003       1.16927001       2.39831815       0.15255466      -2.84292419
Cl      10.46259997       5.78328002       4.22428994       0.34455128      -0.79226243       0.98567883
Cl      10.85680004       2.19166999       3.55204004       0.66894088       0.34325044       0.83509472
Cl       9.37681995       4.17554004       8.86531002      -1.19660115       2.51915651      -0.34364427
Cl       8.54859003       4.53853996       0.95212898      -0.92186459      -1.53178912       1.52130696
Cl       4.00541001       8.84677996       6.69348998       0.04473358       0.23824137      -0.26028642
Cl      11.37415010       3.03286005      10.97630003      -0.21331314      -0.01956915       1.30311529
Cl       9.58641003       8.79900005       3.67050996       0.09135149       1.40939660      -3.47668571
Cl       4.64333999       0.42431995      10.99770005      -1.12010290      -0.25464982       0.00661427
Cl       7.27331004       9.00021995      10.69609995       0.95771844       0.49686792      -0.39307003
Cl       9.95009999       1.46854998       7.64222003       0.36235950      -1.08839886      -0.73996253
Cl       6.33495998       8.11220003       2.94301999       1.59193293       0.55878212       0.34214319
Cl       7.27538003       1.26318998       0.36179399       1.31435896       0.23184137      -0.87118043
Cl       6.13987003       1.41363000       7.78230000       0.47768560       1.72366160       1.96098886
Cl       2.65258002      11.04770002       8.18598001      -1.02972185       2.11744610      -0.19138954
Cl       1.45922997       6.87677997       9.94829998      -0.28489512      -0.36805134       0.04281651
Cl       5.57573998       4.40297004      10.71330004       0.70801459       0.80022307       1.02946916
Cl       7.53131000       7.23771001       7.32292997      -0.14506095       1.14562641      -0.52644524
Cl       2.18651003      10.69730003       2.51989004       0.22295250       0.30936340      -0.40949242
Cl      10.66319999       9.02644002       7.42346999      -0.71248537       0.49450665       0.56217008
Cl       4.12878997       8.44748001      10.79960005      -3.57435036       1.54712325       1.69473328
Cl       2.74888995       3.12767996      10.56849999      -0.05813485       1.76404885       0.72252711
Cl      11.13929996       9.74332003       0.09403037      -0.07786706       0.73070909      -0.56592424
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.92676627 stress="-0.010440299847620895 0.0049275331430426025 0.0020843007859723726 0.0049275331430426025 -0.01124218685141358 -0.0066136205724367046 0.0020843007859723726 -0.0066136205724367046 -0.012694680253069888" free_energy=-223.92676627 pbc="T T T" config_type=melt 
Li       6.49912996       7.28361001       7.54853004      -1.14465861      -0.25266019      -0.76471726
Li       9.96630005       3.89009002       1.85117995      -0.05332324       0.69114249       0.14579692
Li       2.72623997       9.17380004       4.79752000       0.07273469      -0.46535297       0.07546681
Li       7.78699004       6.74918001       0.64516899       0.67672575      -0.34193122      -0.76684782
Li       5.75766996       6.14382005       4.41303006       0.77082052       0.09925436       0.22354876
Li       9.19420004       1.56529004       8.61340001       0.31212197      -0.17382279      -0.66976628
Li       3.67279995       2.68840005       8.78927995       2.48801127       0.42141379      -0.87525359
Li      11.14340005       7.05878000      10.76950001       0.59730453      -0.29303490      -0.49030579
Li       8.41354998       1.31071997       0.50200604      -0.38904878      -0.12606544      -0.10785950
Li       1.64035001      11.46129995       6.94870996      -0.26611255       0.20463037       0.36468683
Li       8.12680002       1.34631003       4.34472003      -1.18453610      -0.19028199      -1.25302014
Li       3.90569003       5.91126002       7.00308997      -0.15050624       0.21336502      -0.87551315
Li      11.16750003       3.61348995       6.47075002      -0.32730725       0.50607284      -0.22776939
Li       5.59982001       3.92781002       1.70981999       0.13860498       0.22158753      -0.04993802
Li       1.65685995       6.01555998       3.17444999      -0.37722681       0.00366996       0.09383134
Li       8.74235000       9.43096001       9.93482005       0.15351890       0.38072684       0.93441057
Li       3.59224997       9.85196999       0.30426704       0.17167246      -1.61362520      -0.42708401
Li      10.24779994      10.23379999       2.08518998       1.89807944      -1.03794119      -1.10230856
Li       0.49620694       3.33529005       9.50274005      -2.27612203       0.18633391      -0.26174311
Li       4.86575998       0.53511396       2.02197996       0.00210296      -0.47949825      -0.39904654
Li      10.23190002      10.24849995       7.42919995      -0.00075104      -0.00849986      -0.02065675
Li       0.45626000       1.97386999       3.67127004       0.08360387       0.37075320       0.46794112
Li       8.09924000       4.46383997       5.65627001      -1.00765623       0.51376431      -2.85113575
Li       6.88428002       9.58712001       3.17167001      -0.29003232      -1.03301191      -0.13204849
Li       5.70526995       0.65912205       9.14040001      -0.17115017      -0.13303540       0.88563950
Li       3.80529000       3.14003995       5.20422004       0.27512247       0.44697291       0.14449603
Li       1.78776999       1.99144003       1.01342000      -0.28574311       0.40338978      -0.58385830
Li       3.62730005       6.15308995       0.01131994       1.28727566      -1.64200951      -0.04137207
Li       2.44591000       8.12290996       8.93566998      -0.34351560      -0.02941844      -0.77219981
Li       8.04982999       4.33686998       9.54597999      -0.38883550      -0.20704658       0.18287299
Li       9.99608000       7.06209994       3.27068998      -0.24096770       0.99929006      -0.27474464
Li       9.82260997       7.13975003       7.52848004       1.39599733      -0.93157051      -1.13935179
Cl       2.27414998       3.74290001       2.19399999      -0.30195562      -0.20703004      -0.05433404
Cl      10.27330005       5.75928001       0.43265001      -0.94348721      -2.84137758       1.59897909
Cl       2.64840003       7.76251002      10.98416005      -0.58127737       1.37737023       2.05463137
Cl       5.30665005      10.74170004       3.91994002      -1.05085418       0.54992821       0.11375354
Cl       2.78307001       0.15108603       0.76140601      -0.67303620       1.08870468       0.80090522
Cl       9.46468999       2.74460001      10.41129995       0.37384955       0.72636291       0.39971490
Cl       7.80099997       7.28866003       5.14990996       0.18035337       0.02799336      -0.17067205
Cl       0.15856200       5.89120005       7.95363998       0.39178816      -0.81214968       0.09551545
Cl       8.64115996      10.69290004       3.06219004      -0.74876554       1.25439452       1.21820866
Cl       0.51767897       9.36808004       6.48272996       0.80947798      -0.10835490      -0.61258761
Cl       0.69209595       8.51893996       3.10030005       0.02103358      -0.15758847      -0.13736226
Cl       8.60584000       4.29333999       7.46055005       1.56291553      -0.15871612       2.95338978
Cl       1.59942001       2.30382997       5.73215002       0.03570871      -0.10474619      -0.20936499
Cl      10.67099994       1.80461996       1.83656999       0.22496264      -0.57634661       0.00249491
Cl       7.78211004       0.13369999       9.53133001       0.87764467      -0.38680685      -0.31231363
Cl       5.11265999       3.24008001      10.41730001       2.05935718       0.29478983       0.64411013
Cl       0.15001996       8.75224001      10.00509999      -0.54231947       2.47314510      -1.54278615
Cl       4.34666999       6.74790002       8.84666005       0.65300099      -0.04486365       0.86949279
Cl       3.68913001       5.63913997       4.07198996      -0.52481956      -0.15616297       0.48600547
Cl       7.08002996       3.78595996       3.72862996       0.46619843       0.91593373       1.11410614
Cl       2.39205999       3.35530004       9.86141002      -2.95084518       1.63607325       2.74362926
Cl       4.51329000       8.23167995       6.12265000      -0.46067613       0.21805826      -0.34207957
Cl       5.68229003       4.64440995       6.74139003      -0.58528039      -0.35485296      -0.48750795
Cl      11.36289997       0.22368404       8.59367996      -0.07770222       1.33442379       0.19711240
Cl       6.57961998       1.91529004       1.81903996       0.22130449      -1.28154712      -1.28280018
Cl       9.53982000       1.87073996       5.68161994       1.25757707      -0.05432529       0.78010176
Cl       6.21550998       6.43036996       1.81428996      -1.52912993      -0.44699351       0.42428718
Cl       9.03098997       8.36593000       0.65210098       0.21877970       2.09553480       0.26998685
Cl       8.28868998       7.86888994       8.54987001      -0.82694194       0.52853108       0.92969107
Cl       4.27104999       1.25461997       7.67543996       0.11245043      -2.06184534      -2.21458246
Cl       5.57999999      10.29099999      11.18240004       0.27638258      -0.11360816       0.12963124
Cl      10.62670002       5.37235001       4.27888995       0.62810238      -1.35748936       0.10849354
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.71083127 stress="-0.018870394366947936 -0.0033857730225094547 0.0025317317624910887 -0.0033857730225094547 -0.013063392349059047 0.00037568762531277604 0.0025317317624910887 0.00037568762531277604 -0.012406115519320903" free_energy=-224.71083127 pbc="T T T" config_type=melt 
Li       5.52947003       4.27087998       2.86257995       1.85245567      -0.90874261       3.44675327
Li       9.31124002       5.76810005       9.88673003      -1.69944984      -3.16123894       2.95444579
Li       3.34432998       6.41583004       4.27302999      -0.17624471      -0.18982179       0.32304492
Li       5.08903004       9.57899001       2.89981995      -1.18198842       0.23738149       1.10703857
Li       3.59593998       1.93626004       4.36423006      -0.42981609      -0.61831681      -0.06052036
Li       5.65917999       5.63872003       8.50533002       1.87693703       1.32734502      -0.82698760
Li       7.22800000       2.38739001      11.44750005       0.91863131       0.09119305      -1.00407669
Li      11.04209995       7.70610003       6.27744002       0.34444212      -1.11666031       0.15037540
Li       9.77825994      10.73679998      11.28609996      -1.02016954      -0.40824407       0.35657066
Li       4.69161000       2.55142999       7.70932000      -0.60530654       0.08108912       0.46013281
Li      10.73059998       1.57695999       2.34013001       0.17182505      -0.35527278       0.05859543
Li       1.60741004       4.00353996       2.51075002      -0.18818100      -0.48846330      -0.34259610
Li       8.82702999       3.71695004       7.12015999       0.29663710      -0.04244269      -0.00452492
Li       8.75098994       3.81316997       3.72193001       0.62289602      -0.05091204      -0.10551763
Li       0.27115499       2.27384996       5.98498004      -0.15069065       0.81395539      -0.51679708
Li       8.28828999       0.78566305       7.11949999      -2.73835820      -0.92251339       0.44802495
Li       1.22352999       8.92331997      11.38179998      -0.31437427       0.53592398       0.44140348
Li      11.20889995       7.22478003       2.75804005      -1.14204866       0.23382653      -0.93967455
Li       3.79385999       3.25349998      10.99410004       0.81677207       0.18008067       0.91439923
Li       3.88284000       6.81192000       0.83931703       0.01340947       0.44251037       0.08129726
Li       1.74453005       9.80302004       3.75548997      -0.46216370      -0.31816546      -0.33375097
Li       2.22591998       0.39933699       0.74623303       0.30489674       0.03401604       0.96896490
Li       5.40819996      10.58190002       6.97506003      -0.71264367      -0.13750434      -0.25312257
Li       8.88352998      10.10120000       4.45156999      -0.79334878       1.63061377      -0.69552249
Li       5.21477004      10.72919997      10.52849997       0.41154252       0.25917654       0.12151512
Li       1.45718005       0.08278127       7.75517002       0.00466573      -0.77129604       0.75084278
Li       1.92415996       5.00670000       9.32249004      -0.63019269      -0.05207274      -0.07958983
Li       7.61827000       7.87066003       0.24692603       0.25383890      -0.11271550      -0.28623789
Li       3.15953003       8.24418003       8.09373004      -0.03382201       0.08631802      -0.30604334
Li       8.19877002       8.31006995       7.92198996       0.03299109       0.32471131      -0.38243264
Li       6.81740004       6.66007997       5.38748997      -1.70509055       2.53265948       0.09680987
Li      10.87959997       2.79850999      10.64549994      -0.17509290      -0.40682816      -1.11419587
Cl       9.38445000       8.51579003       5.43503004       0.09255316      -2.22912410       0.25068665
Cl       9.86675994       6.95282002       8.69521003       2.18583162       3.19225465      -3.41346342
Cl       0.95386995       8.79527004       7.32142001       1.21386067       0.95628278       0.67451779
Cl       4.57388996       4.78112998       1.43737997      -1.98970133       1.70938357      -5.71508040
Cl       7.43840003       0.03981625       9.79766003       0.46434611      -0.11558951       0.26563819
Cl       6.21250003       2.01702005       6.37591004       0.14622313       0.10455798      -0.39810243
Cl       9.82704000       8.04265002       1.00740000       0.14094022      -0.63469906      -0.42602710
Cl       0.42469701       3.80093002       0.62141397       0.29216005       0.95894664      -0.47921031
Cl       5.38721001       6.64183996       3.79808000       0.76076591       0.13081080      -1.14239501
Cl       1.20458000       6.99586999       4.15640994       0.31269337       0.29070182       0.63689687
Cl       8.52863003       2.67310005       1.71261005       0.33307664       0.16978674       0.27246485
Cl       3.87643996      10.33839997       8.55506998      -0.13611088       0.46179329       0.70495391
Cl       3.12819998       8.96832002       1.60194994      -0.76663970       0.29672243       0.11761954
Cl       8.02736000       3.88332001       9.17570999      -0.04231541      -0.03773543       0.75748351
Cl      10.01829996       1.53913004       7.12125998       1.33549437       0.19300552      -0.24019627
Cl       1.90400002       1.41163005       2.77920999      -0.20417020      -0.43712740      -1.04164351
Cl       2.13995004       7.16956003      10.81149997       0.32994140      -1.70627107      -1.39972742
Cl       5.44864995       1.81888003       0.67077698      -1.42269648      -0.78157198       0.36461326
Cl       3.28510001       4.11682997       3.79855003       0.29153434      -0.17580920       2.15917748
Cl       2.06558996       1.17547999       6.10721002       0.81307948       0.41579175       0.08474101
Cl      10.00179999      10.68860002       2.71189001       0.39638510       0.89237750      -0.15305818
Cl       6.81751996       7.26232004       9.35339006      -0.24232041       0.36717251       1.14726858
Cl       4.19867003       4.51684003       9.07169997      -1.74897899      -1.42003638       0.32282784
Cl       2.56535003       1.62738001      10.53619996      -0.17491354       0.05914094      -1.46581311
Cl       3.50809000      10.77069997       4.24247997       2.04238359      -0.31340828       0.62612428
Cl       7.99939002       5.20160996       5.47376005       2.08488934      -2.74807512       0.07165624
Cl      11.23879994       3.36076999       3.55047000      -1.46351671       0.66819550       1.96807018
Cl       0.41194002      11.01249998      11.30200000      -0.32397911      -0.13222128      -0.50001584
Cl       7.39621997      10.40179996       6.39167996       0.37715095      -0.12620674      -0.22408518
Cl       5.11594003       7.85850995       6.54366995      -0.45540131      -0.25310540       0.85445687
Cl       6.26562000       9.10091004       1.34148998       0.89378527       0.11639967      -1.20378815
Cl       0.38987196       3.62924004       7.85739001       0.70069076       1.37806708       1.09478540
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.80909207 stress="-0.012445465675340854 -0.01031527480518832 0.005149759073303786 -0.01031527480518832 -0.012284372849088575 0.0019006769294133495 0.005149759073303786 0.0019006769294133495 -0.013745194102884767" free_energy=-222.80909207 pbc="T T T" config_type=melt 
Li       7.66262003       4.22390004       2.82078004       2.05201759       2.12133706       1.10504321
Li       9.10243994       7.17903996       0.88857801      -0.59458515       1.28725821      -0.57510541
Li       6.71397997       9.34092001      10.49560001       0.28298653      -0.30109904      -0.03619114
Li       4.85516997       1.35824996       9.20872001      -0.16771917       0.24137425       0.03624245
Li       3.44205001       9.96863005       4.19762999       0.20270186       0.33928508      -0.20694132
Li       8.40196005       3.05195003       9.74649002      -1.03758515      -0.77224083       1.02040977
Li       4.92743998       3.74385005       0.33606299      -0.86388181      -0.29299767       1.41126136
Li       3.05847996       1.92894996       2.01740995       0.39474788       0.56883888      -0.43094394
Li       9.33384002      11.08109994       1.33806996      -0.08099576      -0.39031289      -0.72410766
Li       0.30373097       4.65428998       7.37852004      -0.66218433      -0.98783810      -0.26578041
Li       0.52407695      10.53640001       5.76187002      -1.50152316      -1.13952612      -0.12301114
Li       6.14580005       7.50362995       6.81079994       0.37161486      -0.57891538       0.33553919
Li       5.66392999       6.09784003       9.86430005      -0.32327473      -0.06790538       0.69551394
Li       0.66054706       9.60004003       2.10712998      -0.62448133       0.47850203      -0.01711526
Li       4.12807001      10.18570000       7.79355999      -1.14721646      -0.69857760       0.00743313
Li       2.24297001       2.13759997       6.81830996       0.18420477       0.94790841       0.48401128
Li       0.17679605       7.36937005       4.66948004      -2.02678005      -1.38971746       0.38375880
Li       9.59072003       7.26040000       8.10441005      -0.57566944       0.15827121       0.22790153
Li       0.38895803       4.25892995      11.33210004       0.15333442       1.01613036      -0.44517633
Li      11.32290305       9.38947995       9.95905004       0.27019549      -1.14681276      -0.42249182
Li       2.77824997       6.64274999       2.22393999       0.23875527       0.31854818      -0.40911798
Li       0.90437303       1.08568005      10.32150001       0.27265876       0.40305579       0.30310583
Li       9.54786001       2.08302003       5.98244002       0.41366648       1.30736553       0.19015207
Li       6.43712001       0.67673095       0.76329005      -1.91981760       0.89197896       2.24716886
Li       6.51774004       4.02915999       6.91752001      -1.40159812      -2.09244355       2.70291836
Li       6.11091000       8.42324005       3.13267002       0.53157308       0.23833949      -0.15207908
Li       3.19392998       9.40429994       0.17542401       0.38318144       0.15024047      -0.23919626
Li       8.91388005      10.45559999       4.59502000      -0.31337963      -0.85299046      -0.86012311
Li       2.17161002       6.31842000       9.32451004      -0.09876947       0.15502353       0.19355579
Li       8.98824001      11.03139999       8.40834004      -0.36950427      -0.19860085      -0.15559893
Li       6.27778005       0.06298613       5.64524000      -0.01391523       0.14809562      -0.40780571
Li       0.29488203       2.10265994       3.35471994      -0.38596966      -0.42295471      -0.44716272
Cl       2.07470005       0.22852999       6.00904999       2.04399861       0.32331665      -0.59113198
Cl       9.78690997       5.40542996       1.49747997       0.21050906      -1.32728143       0.51966883
Cl       1.21881003       3.71999999       9.13807998       1.00293594      -0.31903187       0.46363977
Cl      10.25400005       0.30007203       5.34363004       1.73457369       2.31250112       5.67750350
Cl       6.85096000       7.81281001       0.83980403      -0.44741593      -0.39099756       0.03731429
Cl       6.10802994       3.50061999      10.20630005       0.83425301       0.25262038      -1.42466098
Cl       1.51206001       8.72644996       4.41539995       1.05060875       0.94302979      -0.43040396
Cl       5.11116998       8.85812995       5.60364002      -0.77026055      -0.25418339      -1.16337002
Cl       1.91261004       0.29571996       2.52104002      -0.04089374      -0.84711389       0.56350029
Cl       2.57877000      11.26242209       9.00630003      -0.06697694       0.12496578       0.68600906
Cl       4.14403998       8.68043005       2.30175001      -1.93820560      -0.90659757      -0.71549919
Cl       0.06831989       3.43044002       5.25945001       0.28738059       0.39215411       0.27498735
Cl       7.89897003       1.26158005       7.02255001      -0.42495760       1.15388689       0.26190969
Cl       7.64676997       0.23162305      10.81329998       1.32515729      -0.32422917      -1.66303261
Cl       4.25574999       3.38336998       7.34459001      -0.06304032      -0.44334744      -0.13554814
Cl       7.21969997       5.09344001       5.60127001       1.41867642       2.06051877      -3.46654678
Cl      10.28629997       0.24861988       3.09588997      -0.42446329       0.15078270      -6.10937166
Cl       2.67845994       4.71267000       0.99718498       0.50145781      -0.03243440       0.17998414
Cl       7.13163000       6.46636000       8.49013997       1.09350340       0.34561392      -0.47841115
Cl       6.51921997       2.93733004       2.05832001      -1.87391702      -1.79833505      -0.98619483
Cl      11.12390000      10.93230001      11.24190000       0.53695947       1.30855925       0.60971491
Cl       4.05997001       1.12531998       0.19791990       0.53680621       0.06033607      -0.40800866
Cl       9.66431004       8.65502005       2.48104000       0.51971460       0.27200368       0.69155485
Cl       9.61938004       4.09763006       8.61511002       0.62316838       0.69984063      -1.09687819
Cl       1.49883998       8.02309001      11.20740811      -0.40105660      -0.30280414       0.26524553
Cl       0.32908594       6.69308001       7.86377997       0.36796601       1.27288158      -0.22901480
Cl       6.09824002      10.67110003       7.64088994       0.38381441       0.02307247       1.71092850
Cl      11.25241114       2.63769996       0.86984400       0.06540295      -1.40832852       0.49103470
Cl       4.40943004       8.05027996       9.51296997      -0.30757185       0.00024983       0.06451608
Cl       5.99400002      10.82569997       3.03785997       1.02924811       0.89759264       0.69546875
Cl       9.10847004       8.94019998      10.33850005       0.01363919      -0.96373702      -1.21413241
Cl       9.76367004       9.54712997       6.63139004      -0.46380237      -2.71412508       1.49315773
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.85979532 stress="-0.013799326112348674 0.004579564103448438 -0.002961116257976045 0.004579564103448438 -0.013625968552143288 0.0007409425868461656 -0.002961116257976045 0.0007409425868461656 -0.009392996274334353" free_energy=-222.85979532 pbc="T T T" config_type=melt 
Li      11.22500004       1.89200999       0.86816299       1.46095013       0.25388898      -0.10267177
Li       9.06009995       7.41098997       3.19818999      -1.39684345      -1.29966006       0.31502625
Li       8.30568004       8.16795002      10.69760005      -1.46636880       1.99386001      -0.13486853
Li       7.70259999       0.71526996      11.30670001      -0.11523616      -0.59300590      -0.68291426
Li       6.80676005       8.36509001       6.70923995      -0.67507343      -4.10518856      -0.16643588
Li       0.59232805       3.01032999       8.97228999       0.47385389       0.26624012      -0.23934837
Li       6.41672002       9.53516000       9.10809000      -0.18620980       0.56604950      -0.12388359
Li       3.65991994       8.22137001       0.65614305      -0.06751078      -1.22908138       0.67912616
Li       0.17928105       9.66938001       0.75511006       0.13057686       0.25009269       0.02591324
Li      10.01539995       6.50365996       8.36518000       0.13247973       0.01426916      -0.21381279
Li      10.11680002       3.26329999       5.47183004      -1.69840271       0.54304644      -0.74627945
Li       2.05156995       7.45189005       4.08084004       0.25039582       0.34984017       0.10786579
Li       8.50280995       3.76954999       9.61561001      -0.39327510      -0.14508585       0.05894792
Li       5.07419997       5.91903005       9.24789999      -0.11896828       0.01918785      -0.12938480
Li       2.27235995      10.51630003       9.92789001      -0.88444913       0.71906371       0.43698385
Li       2.60876996       3.94558000      11.38892102      -0.54462245       0.96151377      -2.40390386
Li       6.53120002       5.27737005       5.22036002      -0.04997748      -0.26090025      -0.15539490
Li       1.37889999       1.04133002       5.26663995      -0.26528740      -0.09161124      -0.19571588
Li       0.57105895       6.19401995      11.04800004      -0.07522982      -0.20454995       0.17511221
Li      11.27919995      11.18849995       8.45287005      -0.72332572      -0.02853013      -0.36837092
Li       1.92907997       3.52778002       2.60765002      -2.52322696      -0.03592375       1.52357933
Li       8.57026004       4.11263003       2.08668000       0.12736980      -0.88570885      -0.01385067
Li       1.93443998       4.72292995       6.19542995       0.10706197      -0.18268952       0.51721328
Li       7.32287999       0.36139297       5.71821003       1.34566311       1.75461142      -0.37521063
Li       4.88411005       2.40263005       3.53165001       0.19186439       0.55575931       0.13221393
Li       6.94820003       9.55888005       2.69142994      -1.40256210       0.02344946       1.60166583
Li       1.72846997       8.00449002       7.74480997       0.81853470      -0.56253380      -0.69751116
Li       5.23721997       5.24999003       1.80668995      -0.17388716       0.06962255       0.01519513
Li      10.44539999       9.10343000       5.22624005       0.34028917       0.11971743       0.47384520
Li       3.87610004      10.74419994       6.74633996       0.67036292       0.16701064       0.11526369
Li       4.86510996       2.28165003       8.14203994       1.65355547      -0.17669335      -0.66024378
Li       4.09716002      11.07849996       2.18551000      -2.00381096      -1.29163098      -1.65278167
Cl       8.04713003       6.76654003       5.70036003       0.65146977       0.33078518      -1.28574183
Cl       6.83596003       9.98699995       6.01275994      -0.10743700       1.72556716      -1.81504336
Cl       0.57279304       4.06501005       0.51824003      -2.22649279      -1.58085883      -0.04844228
Cl       7.14059002       3.26999995       3.91367995       0.03353698      -0.35665394       0.35951756
Cl       3.00145996      10.12270000       0.66235302      -1.47374605       1.24294188      -0.19394151
Cl      11.23373112       1.96013005       3.02655997       0.60905708       0.16142490       1.04619597
Cl       0.29484695       6.53213998       6.21620001       0.25737723       0.33929103      -0.62146677
Cl       5.23659998       0.32121996       3.43348998       2.50158220       0.02526641       0.97078708
Cl       7.79311999       9.75128002       0.90537902       0.52985485       0.16116097      -1.32885562
Cl       1.45444994       5.32110995       9.21778000      -0.05410686       0.07719256      -0.49575678
Cl       2.05309997       9.83933005       6.09306000       0.19443746      -0.16595336      -0.43899937
Cl       9.25572001       1.84808999       0.64213703      -2.06958754       1.08930014      -0.15927311
Cl       3.98935004       6.44659994       6.96571997       0.26042303      -0.37071568       0.00151090
Cl       9.36317000       6.59958996      10.69290004       2.19456459      -2.45550421       0.43623180
Cl      10.78529996      11.25369995       5.82478003      -0.92845209      -0.28840372       0.21891213
Cl       3.50694999       3.42604003       1.54829998       4.62449833      -1.79933387       0.52296126
Cl       0.55857905       0.59018504      10.55230005       0.11379510      -0.17569734      -0.15851258
Cl       4.81857002       6.58336995       0.12311995       2.54941394      -0.27116977      -1.98143470
Cl       5.51025005       1.16615001       6.19083999      -1.36882988       1.16715220       1.68728026
Cl       3.78537998       9.43473004       9.13583000       1.84050026      -0.49009133      -1.08028989
Cl       6.19087003       3.24193000       9.60866999       0.45741207       0.48021482       0.49559709
Cl       0.30226205       9.01106998       8.94042995      -0.63077288       0.09465113       1.09088978
Cl       7.39876997       5.90086994       2.49032996       0.10341541       1.12966975      -0.49870094
Cl       0.26986996       2.69355003       6.37648005       1.75761613       0.11075353       1.63850010
Cl       2.95056005       2.38006996       8.50098999      -2.00682878      -0.23398284       0.58166122
Cl       2.34387000       6.07072002       1.10231002      -1.36116004       2.32381593       1.18142469
Cl       7.41458001       7.66931998       8.42349994       0.09251547      -0.34510118       2.92409319
Cl       9.23148005       4.48681004       7.66838003       0.07648341      -0.48757129       0.10738808
Cl       4.14364997       8.21143002       3.27543000       0.12194981       0.00239724      -0.03391690
Cl       3.02409996       2.81920003       4.67622001      -0.46078135       0.52737251       0.18981749
Cl       8.61721005      11.36549995       9.21562999      -0.55378712      -0.31296064       0.11772581
Cl      10.75609998       8.46748002       3.04650002       1.33338902       0.81061105      -0.54548767
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.63319725 stress="-0.007784832594656222 -0.002748683773578629 -0.002696616661303363 -0.002748683773578629 -0.017437784540913957 -0.000833521599718003 -0.002696616661303363 -0.000833521599718003 -0.010474041152604491" free_energy=-223.63319725 pbc="T T T" config_type=melt 
Li       9.98107005      10.86609998       3.69550003       0.48077492      -0.18573053      -0.55827334
Li       8.80443997       9.99198003       0.61222901      -0.05013859      -0.30254444       0.28507346
Li       9.97915001       1.55308998      10.30889997       0.12568733      -0.01480340      -0.16852270
Li       5.34901997       0.65419997       3.13570003      -0.18565280      -0.85523305      -0.54041885
Li      11.04110004       4.53823994       2.15733000      -0.04128399      -0.19570630      -0.02937011
Li       3.40436005       6.89585000       8.89336002      -0.61771168      -0.01938416      -0.26691483
Li       4.57949003       9.38222994      11.32040005       0.03306458      -0.08887780      -0.11870578
Li       6.11909997       0.54196696       9.63872005      -0.67011830      -0.75653221       1.20452266
Li       2.15205001       6.02487998       0.46563205       0.14835492      -0.52777970      -1.51668682
Li       9.41194994       9.10250999       6.34113006       1.13982527      -1.59460446       0.70008397
Li       2.79574996       1.84105997       0.21894505      -1.59389069      -0.28663252      -0.24322805
Li       0.69826500       6.47127004       4.69798001       0.68412652      -0.99691807       0.40862601
Li       7.48783000       2.35705003       1.03835997      -0.46252687      -0.04866868      -0.36405467
Li       6.53482996       6.98052999      10.40399996       1.07734312       0.73548513       0.66644024
Li       0.71371701      10.01969998       9.86647999       1.61900153      -1.49452963      -0.45303527
Li       7.75060998       4.42377002       4.58011002      -0.13550384       0.75612433       0.11491412
Li       5.94266997       9.56898994       6.74900002       0.48995290      -0.20558335       0.44078565
Li       1.05329999       8.76275000       2.87904002      -0.47633358      -0.68900736       0.07137377
Li       1.89657002       3.99961998       8.36549000      -0.54842625      -1.04735000      -0.14386605
Li       9.16061005       5.43403001       6.93273999       3.79981884       4.17234324      -0.13553753
Li       0.48883301       0.91546106       6.94434000       0.27033416       0.35781176       0.29272630
Li       8.08860000       1.74178997       6.70020999      -0.33076237      -0.04747778      -0.70249614
Li      11.21960002       6.35213003       9.39253002      -0.39125011       0.51014468      -0.45389407
Li       4.52459997       1.94411995       6.72338997      -0.66612436      -0.13708492       0.13123345
Li       4.61219005       6.89359004       6.04891003       1.60834121      -1.18095338       0.71090489
Li       4.47239003       8.07145001       2.75437996       0.06305843       0.22874562       0.21762876
Li       8.96397999      10.38939997       8.97190994       0.41172283      -0.19867874      -0.34875747
Li       8.33270995       7.82591999       3.35399001      -0.33135766      -0.10005779       0.00123568
Li       1.95248005       9.08303998       6.37558996      -0.48730186      -0.18710073       0.01044051
Li       1.39533003       1.20364004       3.56375000       0.50506580       1.32214553       0.01534111
Li       5.96284000       4.13435003       8.58253003       0.26024924      -1.56505436      -0.51452301
Li       3.49486996       4.24311005       3.70329000      -0.34166861       0.45224428      -0.11346453
Cl       4.06758000      10.61720003       1.68698005       0.56663720      -0.93122867       0.14065694
Cl       2.60567999       7.89599001      10.68989996       0.83279877       2.70336683       0.92321180
Cl       0.01611992       8.31220001       5.06026995      -0.12209076       2.89370822       0.28984416
Cl       7.43196995       8.06390996       6.17849996      -0.55800545      -0.84938702       0.00424634
Cl       9.85285996       6.07999003       4.60366005      -0.93331202      -1.92311279      -0.73700897
Cl       9.27823001       7.28906999       8.91856997       0.10300173      -0.09708799      -0.04389403
Cl       0.97298503       2.50890003       5.21140997      -0.36609611       0.28035101       0.33199462
Cl      11.28859997      10.37839999       8.09828996      -0.15511064      -1.00218554      -1.62536124
Cl       9.99933001       9.00770005       2.26473999       0.12359335      -0.09920214      -0.00196479
Cl       5.92903000       8.92981001       9.35869997      -0.27450356       1.39630186      -0.40396556
Cl       4.35994998       2.35471005       3.86833001      -0.00362321       0.33664619       0.76695659
Cl       4.75587004       2.00508000       0.29917105       2.17939487       0.41540681      -0.43767045
Cl       6.47462999       1.83169996       8.12395997      -0.72076434       0.33839282      -0.47545689
Cl       3.21471999       7.80177002       5.00441001      -0.13813241       0.99778702      -1.05318499
Cl       1.22933000      10.79350002       2.94864001      -0.48337194       0.16823896       0.22068233
Cl       7.47477000       0.87797194       2.70095997       0.85261585       0.22693745       0.07449265
Cl       7.85910999       4.25042999       7.01812996      -3.63782397      -3.14786886      -0.71318252
Cl       6.10260000       6.46055002       3.58472000      -0.14166535      -0.67801768       0.15308647
Cl       2.48032004       1.59683000       8.51830002      -0.61603815      -0.34037381       0.30238434
Cl       8.58529005       3.92512004      11.29769997       0.47424123      -0.32502261       0.25655590
Cl       3.69889999       4.21961000       7.44087999       1.46873799      -0.03747356      -2.03028082
Cl       4.50691999      11.00009999       6.29658995      -0.62715936       0.39107444      -0.30312325
Cl       7.21222996       8.26740001       0.89499296      -0.53038687      -0.17505561      -0.04670135
Cl       9.81200998       1.41660005       7.72330998       0.76140708       0.71064985       1.03786328
Cl       1.31049000       3.13728004       1.60914997      -0.16884611       0.32056122       0.07494944
Cl       5.31348001       5.92818004       9.10702004       0.01408789       0.91479717       0.59035380
Cl       1.42114002       6.73402996       7.28085996      -0.19737362       0.45299475      -0.71941817
Cl       0.01830926      11.09879999      11.27200004      -1.16788945       1.78911991       1.74868113
Cl       2.16580004       6.71406997       2.34351002      -0.34104603      -0.13055351       1.42138488
Cl       8.71905000      10.68989996       5.40707004      -0.73990511       2.20388395      -0.41469119
Cl       8.14225994       0.13567299      10.64179996      -0.20462477       0.19605275       0.14343271
Cl       1.68669998       5.59557995       9.74544998      -0.63541675      -2.80845264       1.92554551
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.22721807 stress="-0.019232317067898637 0.0028849556159994618 -0.000450187588956235 0.0028849556159994618 -0.016358604144974427 -0.002273539173341057 -0.000450187588956235 -0.002273539173341057 -0.017827441200420246" free_energy=-222.22721807 pbc="T T T" config_type=melt 
Li       7.12068001       2.58390004       7.97923994       0.84435486       1.02339671      -0.21430617
Li       2.32500003       6.94384005       0.87945404       1.03234683      -0.50418341      -0.59265638
Li       2.12791999       0.99059898       3.98756999       0.08997368       1.40356486       0.76541520
Li       3.69748002       2.49356002       8.41908000       0.70060329      -0.16126915      -0.56445823
Li       4.77317996       5.87709005       2.90982998      -2.50498699       0.44162577      -3.03881380
Li       9.22317005      10.64539998       9.90323997       0.18574187      -0.13756479      -0.17287716
Li       7.75684002       4.35251998      11.19133805      -0.59476875       1.39057241       1.92177896
Li       3.87186995       9.91502995       2.22862005      -2.14629159      -1.58201823       1.47336631
Li      11.31049996       6.21219004       3.10577001      -0.32383464      -1.34540475       0.50009300
Li       5.73612996       1.84831996       4.51822996      -0.50797145       0.76610027      -2.22280544
Li       0.54059503       0.06209593       7.64504999       0.52223920      -0.01603326      -0.98807832
Li       4.72722998      10.67220002       9.96281995       0.21815154       0.28836397       0.04712931
Li       7.26180002       6.99135995       8.84460003       0.55107396       0.78710134      -0.86529264
Li      10.60929999       7.47859002      11.40280002       0.88224216      -1.36288674       3.00279558
Li       7.38259994       1.37437997       0.42934096      -0.04090644       0.09161432       0.14509474
Li       1.65714999       3.62578998       0.37984198       0.37773345      -0.14077532       0.67140965
Li       6.69889997       8.80969004       4.05862995       2.62535404      -1.61562485      -3.11751916
Li       2.34665995       4.17677004       5.79542998       0.76775553       1.11532571      -0.21891892
Li       0.73726602       5.35847995       8.70347004      -0.27341956      -0.06108123      -0.35061901
Li      10.36209996       3.45099995       6.20439994       0.44541494      -1.93714170      -0.03294948
Li       8.05154997       3.87136999       3.99715997      -0.45695398       0.56908749       0.83838333
Li       1.31498996      10.84590003       0.45582505      -0.22147976       0.48702554       0.31424346
Li       8.78543002       0.08085894       5.97487004      -1.10711897       0.41356469       1.11828378
Li      10.42930002       2.09797002       2.12374000       0.10674851       0.19077050       0.07839390
Li      10.90039996      10.34649994       2.74314004      -0.20976670      -0.20768748       0.24236005
Li       9.55034994       7.79341004       5.98318004       1.62798598       0.15479474      -0.35823161
Li       6.00306001       5.89250996       6.35364997      -0.29027792      -0.35966479       0.11823108
Li       6.33183000       8.56746000       0.57575804       0.50168258       0.31786459      -0.28219062
Li       4.19754000       5.61619995      10.26650002       1.01565872      -0.28847541      -0.06928521
Li       3.90059003      10.79919994       6.43734001       0.05629616      -0.85196415       0.23795124
Li       1.14637997       8.57022003       8.68906999       0.32447389      -0.23728740       0.23709058
Li       2.60506001       7.60287004       5.27550997       0.28425697      -0.35916844      -0.31112771
Cl       5.59996996       5.12154997       4.29637000       3.82869161      -2.77147385       3.84042755
Cl       5.69685001       4.42013000       8.44783001      -0.61437644      -0.00737655      -1.12421279
Cl       5.62258005       9.51770999       5.31629002      -2.93874143       1.88254237       2.70610819
Cl       2.26935998       9.14480000       6.52505001      -0.91285662       0.79851578       1.52171469
Cl       0.72794797       7.63494996       1.96004006      -0.66358929       1.60504336      -0.22453216
Cl       1.25398004       1.47069999       1.88498995      -0.01434280       1.51810265      -0.88291861
Cl      10.23899996       5.39249997       6.40884004       0.33427616       2.59125835       1.02502725
Cl       2.94531995       9.62753000      11.09259999      -0.42061412      -0.52588569      -0.56380953
Cl       2.86327996       5.88027998       4.16799999      -1.61807866      -0.43423140      -0.43824957
Cl      10.45810001      11.28920001       0.29614597      -0.20008489       0.00751811       0.27504018
Cl       1.05052999       2.62045997       5.79290004      -0.19433189      -1.27453451       0.34790786
Cl       8.92832997       9.04453994       2.72720996      -0.46616986      -0.66365704      -0.04654811
Cl       2.46657999       0.55241299       8.35691999       0.48935623       0.04505845       0.86648643
Cl       3.67158003       4.94580003       0.97293998      -0.04725505      -0.79052360      -0.10231229
Cl       4.35998999       1.20760003       5.74187998      -2.21614732       0.84020194      -0.31232374
Cl       6.74659997       6.09546005      10.60700003      -0.54452574       0.58609749       1.77334846
Cl      10.15419994       8.22493001       9.74917999       0.85062571       0.84736353      -3.23121421
Cl       2.67324003       5.58139004       7.56516998       0.12217440      -0.84080489      -1.98609621
Cl       7.41142997       1.65512999       5.43254997       2.36741554       0.57976457       1.66077466
Cl       5.24767000      10.78899994       1.31743001       3.16391311       2.30015947      -1.71548210
Cl       7.43406998       9.17940000      10.07490003      -1.33023632       0.79878896      -0.08778680
Cl       7.49684998       2.60440001       2.49413003      -0.59568254      -0.88524882      -2.41896995
Cl       8.40940002       3.07775004       9.97738004       1.03030356      -2.38825013      -1.25701343
Cl      10.33869999      10.88649998       5.00378005       1.74458071      -0.85489811      -0.82749127
Cl      10.09450005       0.52600295       8.11269001      -1.44086304       0.11497389       0.50253462
Cl       5.14326996       7.66380005       2.11582999       0.01949475       1.50045248      -0.10291717
Cl       5.86720004       1.09657994       8.37252998      -1.20600918      -1.89437767       1.62621755
Cl       7.66196003       7.42686995       6.35338996      -1.59587458      -0.41770033       0.89252248
Cl       1.89929003      10.55420002       3.33885005       0.29651013      -2.35109508      -0.14374916
Cl       2.18986998       6.30475000      10.07399996      -1.25558124       1.55833748       1.60615807
Cl      10.14389997       3.45937999       4.06240995       0.37723485       0.18174989      -1.49327975
Cl      11.30630002       4.77540999       0.49078904      -0.83152714       0.07158708       0.00274853
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.91786314 stress="-0.015007698482077366 0.0006544438025043986 -0.00036741133427978186 0.0006544438025043986 -0.024521415279660536 -0.0006400174591787429 -0.00036741133427978186 -0.0006400174591787429 -0.016477442828255754" free_energy=-224.91786314 pbc="T T T" config_type=melt 
Li       4.74643001       0.93260096       1.41939997       0.14776403       0.66488063       0.10934775
Li      10.70100002       1.68260001       0.41479095      -0.04524416      -0.08484481      -0.63398880
Li       0.76983604       7.22593998       3.39198997       0.88202318      -0.51347514      -1.49437244
Li       1.00624004       3.98051005       1.72608998      -0.31947841      -0.93973159      -0.76649085
Li       9.78605004       4.88814995       3.94011004       1.40778614       1.17372633      -1.13457839
Li      10.21449999       0.61726997       8.68131005       0.72461756      -2.70272268      -1.09036895
Li       7.25355996       1.37296001       9.54615000      -0.24446005      -0.26119150      -0.04498267
Li       4.42026000       9.83592997      10.33970002       1.21217010      -2.21130837      -1.89767017
Li       5.69118998       9.95437995       3.01385995      -0.17181598       1.57628925      -0.05758938
Li       9.32729002       9.89330996       3.77095998       0.29589014      -2.04566168       0.19775202
Li      10.91899995       1.88456004       4.06453004       0.03521572      -0.11536298       0.61815749
Li       5.47606001       3.46606000       7.29468004      -0.53833938       2.42171714       0.00046371
Li       3.74127999       7.77601001       1.22264999       0.78514982      -0.41050431       0.07202474
Li       4.30328995       2.05326002       4.36864999      -0.28075652       0.03829536      -0.10600035
Li       1.61170994      11.01759998       2.48278005       0.44077119      -0.00565089       0.46870539
Li       7.65599998       5.29576002      10.50100003       0.65143615       0.42156735       0.62584969
Li       5.60139005       8.34494005       5.70938998       0.50868883       0.26254656       0.18773544
Li       9.13297001       3.36797999       7.37128997      -0.12555493       1.72955420      -1.87069201
Li       2.30633996      10.34969997       5.80975999       0.64099169      -1.30835556       0.43174758
Li       1.39495996       9.00705003      10.82679997      -1.04978383       0.83710916      -0.20648382
Li       3.75162994       5.07234000       3.45564997       0.56146100       0.06546132      -0.43215477
Li       8.95333002       8.77412004      10.82139995       0.46988267       0.52047541      -0.30983572
Li       8.10136995       1.34056997       2.25343001       2.51232690       1.01653254      -0.99062414
Li       4.24201005       6.71158004       8.24805003       0.17552142       0.52642216       0.21471929
Li       1.91939001       1.10689000      10.69889999       0.54149169       0.59635730       0.11967727
Li       7.43776996       0.21804201       5.43390998      -0.18793510       0.92562908       0.17026121
Li       1.84628998       5.03212996       6.46355997      -0.82884387      -0.73389405      -2.04075826
Li       0.50060900       5.26077998       9.89948003      -0.13129148      -0.02765130      -0.43483455
Li      10.24360000       7.09739995       6.41954997      -0.32754582       2.64980595      -0.26595939
Li       3.98290001       4.01489005       0.27177199       0.22002976      -0.71989476      -0.11370739
Li       7.39817004       6.74922002       1.87323998      -1.30837801      -0.33811226       0.23414970
Li       8.30209998       8.71455004       8.04512998      -0.25116212       0.25402315      -0.22682697
Cl       3.80476000       0.06685819       3.51990004      -0.65564195      -1.48309154       0.26098313
Cl       2.18226997       5.71541997       8.22241005       0.80452886       0.29514376       2.29881181
Cl       0.76760796       3.17695997      11.01069998       0.64221133       0.55295181      -0.52890232
Cl       2.98098006       2.48148997       1.87886000      -0.33870901       0.49714019      -0.06436006
Cl       6.50887999       0.44351986       2.80187005      -1.13883924      -0.32597756       0.31943411
Cl       8.50858003      10.70079996       9.02526000      -1.13154600       0.04228680       0.89221712
Cl      10.38950005       2.95453001       2.18775001       0.01484675       0.52119959       0.06839130
Cl       5.83758998       8.42980002       8.30986004       1.83583441      -0.26101301       1.37542611
Cl       5.36821003       8.05422998       3.26351999      -0.42362210      -1.94457440       0.22892070
Cl       3.78123003       4.07001994       5.38761000       0.53734323      -0.36623603       0.79434649
Cl       9.28771005       2.21866000       8.92985002      -1.02051993       2.33100536       1.95115192
Cl      10.65100005       8.86268998       7.92804998       0.13088247      -0.82579211       0.09522882
Cl       6.03992994       1.64711004       7.43345996       0.66588925      -2.47660355      -0.42216805
Cl       3.65968997      11.23014705      11.41749998      -1.18413895       1.03007915       0.67394291
Cl       5.24877000       4.99971000       1.72345996       0.16201131       0.82269425       0.29804607
Cl       7.18777998       7.79367005       0.10531993      -0.71057845       0.30137226      -0.64435517
Cl      11.17999999       8.25984998       4.62719003      -0.84508522       1.67625885       1.09814602
Cl       1.58437004       5.18674996       3.29887996      -0.35256807       0.85858739       0.64562291
Cl       9.05787003       6.55055998       2.96312994       0.67586987       0.54017774       0.18815552
Cl       3.72101000       8.67196998       6.72053995      -2.44988920       0.42984662      -1.54698686
Cl       9.58000998      11.33601406       0.81697200      -0.46116538      -0.58284971       0.41521706
Cl       7.81769998       9.68793002       5.85481002      -0.34697522      -1.34450240      -0.51327415
Cl       1.91929004       8.82791996       1.57604996      -1.31611304       0.58439376       1.47059342
Cl       0.25073103       0.10461992       9.95382003       1.29583490      -1.07787647       0.58581163
Cl       8.96771998       3.56893999       4.99814994      -1.72198185      -2.50474198       1.90247953
Cl       9.23977996       0.38947003       4.00554002       0.70444229       1.56025836       0.77691053
Cl       2.99464995       7.76710995      10.51590004       1.52625754      -0.76546941      -0.70619137
Cl       9.99275995       6.01709997      10.59619999      -0.19772197       0.22136643       0.13910518
Cl       6.65717997       5.00956997       8.71074998      -0.76313288      -0.26717666      -1.12024811
Cl       5.78846004       2.38866003      11.21939997       0.28305737      -0.10269856      -0.22769635
Cl      10.84440005       5.33234999       6.80084998       0.81764857      -2.57635529       0.41323696
Cl       1.28643003       0.51231495       5.17903003      -1.44105802       1.37816533      -0.45066908
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.5790391 stress="-0.014388212822934236 -0.005443540360516038 0.0015136166378392833 -0.005443540360516038 -0.0047638261730401105 0.0040826625698319515 0.0015136166378392833 0.0040826625698319515 -0.012484957713346258" free_energy=-226.5790391 pbc="T T T" config_type=melt 
Li       9.40635996       2.30280999       4.31062996      -0.06877708       0.29504242       0.06181343
Li       9.19395001       8.02463998       2.23955996       1.25494789      -0.49923305       0.03488092
Li       7.60697998       3.99732999       2.18775001       0.31916905       0.01332326       0.34713155
Li       8.14681000       3.08544005       8.37407995       0.21880497       0.15936006      -0.21322486
Li       2.96667000       3.52779996       7.99730994      -0.40079763      -0.33030144       0.43055395
Li       5.57624005       5.50241995       8.25642996       0.63005323       0.73904709       0.79840208
Li       2.90315995      10.94750004      11.40200004      -0.23520004       0.04444232      -0.22139496
Li       2.54306003       7.53034998       1.69558995      -0.11088433      -0.49217972       1.45974596
Li       5.70213997      10.06030004       7.25327002       0.46422681       0.11649004       0.10119463
Li       9.16203001      10.06559997      10.81750003       0.02429084      -0.09393510       1.16418712
Li       5.96173002       1.23931998       5.37649996       0.57517533      -0.51356946       0.51885891
Li       6.26317994       8.29784994       4.32860996       0.19947560       0.02493144       0.14778361
Li       0.03551989       0.47561801       9.20401003      -0.20720938      -0.14922526       0.56855488
Li       9.67400000       5.69839998      10.52720004      -1.32883105      -0.94076215      -0.08527883
Li       3.11220995       0.22331993       3.21045998       0.43012867       0.26562530      -0.29963462
Li       4.59281003       3.09144997       0.32786397       0.54617478      -0.54585919       0.29812767
Li       4.85672005       8.27747998      11.42580000       0.16908288       0.48254532      -0.08229806
Li      11.08869996       3.92873003       7.08086995       0.02933649      -0.22531184       0.06512172
Li      10.30110002      11.40502684       2.59115005       0.14267719       0.17701416      -2.27696437
Li       0.96831895       7.95676995       9.05199000       0.12801090       0.39617624      -0.34454371
Li       1.46967004       3.42926998       0.59049400      -0.16805880      -0.04915653       0.10048878
Li       9.07440004       2.01311004      11.28730004       0.86802986      -0.12819650       0.68087888
Li       3.14427004       7.37343001       5.91361994       2.73336817      -0.00178996      -1.34404415
Li       0.05707354       9.05428997       4.76693995      -0.10989559      -0.08408948       0.54133552
Li       6.39051003       0.47166995       9.65016003       0.23878973      -0.21950494       0.61101320
Li       6.56357997      11.36090003       2.24358002       0.08225187      -0.06085780       0.08379038
Li       0.48762696       0.34302903       6.42688998      -0.15075103       0.39093883       0.51068761
Li       8.80239004       6.07847996       5.03747999       0.71034357      -0.26072569       1.99986666
Li       8.28828999       7.97017995       8.34451002       0.21392124       0.50726450      -0.28819697
Li       4.79760999       4.12086001       4.59524997       2.32201012      -0.30752910       0.41884437
Li       0.48456497       5.34799002       3.91040999       1.93203915       0.82961236      -1.24382685
Li       9.10369998      11.20659999       6.59829002      -0.75191761      -0.48370981       0.08995599
Cl       3.58165995       4.71196001      10.98570005      -0.49048189       0.70372498      -0.43464677
Cl       1.39299005       1.93760996       7.85726998      -0.18364073       0.19459610      -0.12352662
Cl       7.16909997       6.35557998       9.43280003       0.49008805      -0.42656292       0.43855514
Cl      10.55299994       4.22127002       9.23849997      -0.28396419      -0.89074319      -0.16606065
Cl       6.42292999       1.09601005       7.63595996      -0.77564260       0.24233117      -0.66181863
Cl       4.25316996       7.91959003       3.46350003      -0.79576541      -0.45629149      -0.63012042
Cl       6.72808998       9.64380996       9.58951995      -1.42430874      -0.03201866       0.48194886
Cl       1.46331997      11.27359999       4.70361000       1.45034369      -0.50241677      -0.85063941
Cl       2.94344004       4.28651003       4.20498994      -3.08784866       0.38309889      -1.23161912
Cl      11.06649995       7.06119002      10.52529995       0.80723813       1.64566596       0.53179424
Cl       9.38841997       2.08738998       6.84868996       0.67219875      -0.46537166      -0.37247199
Cl       1.39288997       7.27824003       6.57385999      -2.63771424       0.03765555       1.28160592
Cl      11.37643722       7.60182002       3.11368999       0.59948405      -0.22730402      -0.55813026
Cl       8.12152003       6.66318003       3.32528002      -1.93956076       0.35791694      -1.90720777
Cl       7.24760002       2.76574003      10.30999997      -0.78349974       0.15841653      -0.10260890
Cl       8.55903995       9.83305003       1.66366996      -1.19308202       0.81975293      -0.35032452
Cl       1.50793001      10.33359999       9.39729997       0.08349836       0.32656199      -0.91315873
Cl      10.71220004       0.09766111       0.42507797       0.45367129       0.54184786      -1.23192715
Cl       2.99235996       1.65279999       0.83250300      -0.42874473      -0.30068512       0.11092610
Cl       9.42793000      10.20259995       8.77955996       1.37570877       1.17681723      -1.22891590
Cl      10.75530000       3.20012997       1.63354000       0.29400256       0.57293499      -0.04875371
Cl       7.03555005      10.33340005       5.27258005      -0.39038694       0.69556042      -0.26942040
Cl       5.43571996       1.88118003       3.45911001      -1.61191494      -0.47268720      -0.12080054
Cl       7.77101996       1.80820002       1.65977004       0.43430222      -0.37991649       0.14174546
Cl       7.58142002       3.85629997       4.43270001      -0.50814182      -0.09433609       0.68656779
Cl       4.23697001       4.81447005       6.95184005      -0.14108330      -0.36796288      -0.74923447
Cl       5.19957001       8.07748000       6.45691000       0.10708114      -0.54784000       0.85996664
Cl       9.97811995      11.10717212       4.46889996      -0.52797887       0.23283995       2.09389180
Cl       2.59789002       8.73284004       0.06881996      -0.22677953      -1.13044570      -0.75120297
Cl      10.52349994       4.69593994       5.02846001      -0.80833628      -1.14551512       1.42038424
Cl       4.75333999      10.28129994       1.21825998       1.06067748       0.94099807       0.39620258
Cl       9.57437002       8.18246001       6.40652002      -0.28940488      -0.64649857      -0.37481027
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.14249225 stress="-0.011069915157758368 0.0039730007025203 0.00031004792077914714 0.0039730007025203 -0.004964896439462512 -0.002162407224660459 0.00031004792077914714 -0.002162407224660459 -0.011998220352511088" free_energy=-226.14249225 pbc="T T T" config_type=melt 
Li       3.46879996       3.58269002       4.81897998       0.69776082      -0.67658525      -0.21877752
Li       1.17864997       5.67679004       3.37026000       0.10019969      -0.42216732      -0.28418922
Li       6.50587004       4.08965000       1.27269995       0.22528420      -0.24165708       0.32302608
Li       8.78199004      10.20829999       8.45674005      -0.53523983       0.84636763       0.69625575
Li       6.10387999       5.36975002       9.03370998       0.03217465      -0.44368736      -0.42446803
Li       6.65430002       7.90461000       6.03367996      -0.15103131       0.27393518       0.03932615
Li       4.79419994      11.04700001       0.78584201      -4.19315452       0.42819641       4.34505540
Li       1.86198997       1.31854996       1.10785999       0.48059353      -0.93152950       1.07362080
Li       3.59147005      10.04750005       8.08940995      -0.34530380       0.43528432       0.45129116
Li       8.10626004       9.80531003       0.43809795      -0.23879914       0.04165149       0.17231582
Li       7.28743002       3.71845002       5.08214999       1.30739571       1.63550959       2.47183446
Li       1.45586005       5.10790002      10.56690004      -0.49373804       0.18342982      -0.09639301
Li       3.80497003       2.77638003      10.28809998      -0.01524556      -0.51297558       0.43687289
Li       9.31513994       7.12952000       8.41706000       0.54014298      -1.16737545       0.75003228
Li       5.64191994       0.76340595       3.59637000      -0.57007582      -0.41448372      -0.20721687
Li       5.46322999       7.99952003      10.06140003      -0.68650766       0.75667003      -0.60692833
Li       5.20343003       7.50929996       2.50234006      -0.00411870       0.16841959       0.27938797
Li       0.18252097       0.60782902       9.66457005       1.28897911      -0.28517571      -0.13760496
Li       9.56633000       6.52571998       0.45640205       0.14753666       0.24707755      -0.02527103
Li      11.44647194       9.88806000       6.65809997      -1.17969198      -0.40401393      -1.48239262
Li       7.40791995       1.93672997      10.19239995       0.39092961      -0.57643947      -0.02451961
Li      10.17460005       2.55806001       1.25802005       0.05589953      -0.02725687       0.03649575
Li      11.43940019       5.36770996       6.49740997       1.29019647       0.74466477      -0.04558059
Li       0.92757995       9.39210000       2.57951002       1.09579041       0.54468694      -0.11379388
Li       0.52759098       8.68314995      10.67510003      -0.26307023       0.51345932      -0.40896419
Li       8.53154001       0.11058101       4.39662994      -0.89371956       0.18528999      -0.07274821
Li       5.15518995       1.34074996       7.04862001      -0.40800885       0.21072820      -0.10316335
Li       2.97370001       6.44139997       6.54839002       0.27458759       0.31495417      -0.11829451
Li       3.24298001       9.90970995       4.86870997      -2.00820900       1.32450493      -2.56912124
Li       9.87595006       3.06409998       8.01280002      -0.81041132      -0.28988802       1.09845198
Li       9.66491994       8.01827994       4.05708995       0.07657067       0.11462357       0.41978034
Li       0.76043005       2.12488001       5.14022998       0.07698200      -0.07894371      -0.38531772
Cl       1.20120996      10.93670000       0.12421995      -0.37145444      -0.63876229       0.23191015
Cl       3.45648996       0.97678601       5.03167001      -0.15986166       0.45164544      -0.21165378
Cl       9.36146997       8.74311994       7.16904001       0.48945446       0.32155873      -2.71287818
Cl       1.94603999       4.55744995       5.94548995      -0.19598595      -0.56156144       0.55552332
Cl       7.16984996       7.29988998       9.00191002       1.03099317      -0.78649106      -0.78949590
Cl       5.92854999      10.62749999      11.05219998       4.66175754      -1.45881075      -5.61586559
Cl       6.22978002       7.71005005       0.43522397       0.39431101      -1.15772135       2.14183815
Cl       1.61072998       2.75547996      11.22000001      -0.65308190       2.23848491      -1.55467879
Cl       0.19058598       6.39821002       8.89785001       0.33998869      -0.19305408      -0.28186498
Cl       9.60507996       4.84117999       7.01064000      -2.53498756       0.74002366      -0.47911578
Cl      11.35189999       2.10889995       7.08985004       0.98002487      -1.02351628      -0.19342872
Cl       1.28970996       7.01924004       0.33645197       0.76271149      -0.93461154       0.70456498
Cl       3.48816004       9.40357999       2.68358998      -0.06544347      -0.11881377      -0.10566153
Cl      10.66490003       8.39045003       2.17985995      -1.63705502      -0.51704691      -0.82680017
Cl       0.19271994       3.47712005       3.14267994      -0.01757785      -0.21576583      -0.20774638
Cl       4.42966003       9.42125997       6.17334997       2.49470391      -0.30524939       0.94023346
Cl       8.78011002       4.17638003       0.46936895       0.25252267       0.71518559       0.41143035
Cl       1.01791996      10.50570004       8.22736996       1.14617421      -0.18233153       0.97795681
Cl       6.39457997       2.72955005       3.78012005      -0.87404235      -0.80110008      -2.62571449
Cl       4.48699002       5.46605995       4.28239000       0.27645323       0.90290479      -0.49787008
Cl       6.00381998       3.53641996      10.58749997      -0.84754705       0.72701308      -0.14708946
Cl       0.67241499       7.23222000       4.78500995      -0.20505192       0.76188624       0.72154467
Cl       3.80537999       1.17279998       8.83514005      -0.01947180      -0.56437367      -0.35661969
Cl       7.92240004       0.27091985       1.91372998       0.17900001      -0.02354599       0.57480991
Cl       6.41861999       3.24510996       7.10485999      -0.14448639       1.18701882       0.61724014
Cl       4.10783006       1.43771003       1.17119005       0.04386515       1.24292784       0.91006914
Cl      10.54980003      11.15010000       4.53025003       1.37296956      -0.44033781       0.25210194
Cl       9.85395996       1.52267995      10.08320005      -1.69952264       0.40409100       0.20948381
Cl       9.57802001       8.77989002      10.27050002       0.21017226       0.46820640       0.97930455
Cl       7.42424004       7.82310000       3.73524004      -0.25426877      -0.06235248       0.59776992
Cl       4.43173999       7.52738004       8.12417000      -1.42258127      -1.52870636       0.92871568
Cl       6.98033005       0.26108499       6.64477000       1.18261950      -1.14406843      -0.41701539
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.54693373 stress="-0.01764591190694274 -0.001561080955451176 -0.004509621877013973 -0.001561080955451176 -0.009718768241809062 -6.581406733256959e-05 -0.004509621877013973 -6.581406733256959e-05 -0.011711558935762497" free_energy=-225.54693373 pbc="T T T" config_type=melt 
Li      10.25190003       4.92888001       0.79834105      -0.56244274       0.58985904      -0.33746854
Li       4.84543003       7.33562001       6.23558003      -0.26131004      -0.17785865      -0.29319207
Li       8.22454997      10.15949999       2.18165995      -0.66942800      -0.61138541      -0.25626532
Li       3.52098995       0.53635096       5.07562005       0.31972398      -0.50945916       0.63852195
Li       0.73930104       4.03460999       4.62161002      -1.45047969      -1.94872920      -0.79706537
Li       7.50308999       3.61691995       0.33301498      -0.88609980      -1.35140543      -1.59860941
Li       7.51148000       3.49675997       6.17975002       0.13480289      -0.22717817      -0.00984875
Li       4.72971004       0.63741099       2.19241998       0.83811192       1.18429399      -0.34494512
Li       9.02977005       1.22199000      10.10550002      -0.54935660      -0.92087710      -0.17724808
Li       2.40558004       4.19286005       0.82940604       0.08346424      -0.64356372       0.12229871
Li       8.13516997       7.18743995      10.28690002       0.11648928      -0.78250412       0.35851450
Li      10.92420003       8.51633997       9.19271003      -0.22141723       0.18518668       0.20781180
Li       7.80315995       1.71079996       3.96812003       0.06375127      -0.27325012      -0.20400679
Li       1.43045005       1.89020998       9.71740995      -0.53698277       0.09243759       0.43063173
Li       7.92391998      10.44340005       7.73017995      -0.90723043       0.02754908       0.04848762
Li       1.56113997       6.95493002       3.08188005      -0.59988645      -1.18134839       0.49297457
Li       5.27062997       4.22229997       3.44219997      -0.09827002      -0.40573751      -0.14330025
Li       8.59275995       7.64283004       6.69449001       0.25748185       0.18876983      -0.18276634
Li       1.70120997      10.87089996       2.20815998      -1.07413411       1.40969695      -0.40716918
Li       3.28720003       9.82238000       9.31608001      -0.42350009       0.64250618      -1.18437260
Li      10.41239995       0.97690902       6.45960995       0.25537317      -0.44056529       0.43643511
Li       3.02451004       3.63695997       7.07589996      -0.04858461       0.30897506      -0.15500826
Li       1.66425005       6.96615997      10.93190002       2.86435045      -0.02462956      -0.77724841
Li       1.40043003       6.44526000       7.54529000      -0.34106816       0.04629493      -0.06889934
Li      10.63320003       1.94186998       1.71042003       0.52384451       0.08584333       0.18352336
Li       5.65425001       0.99793302       7.77505997      -0.97382395       0.18572477      -1.07165482
Li       6.55817995       9.80108005      10.67609994      -1.36360730       0.87645201       1.18703428
Li       4.09048999       8.29598998       1.97640004       0.51660730      -1.15043603      -0.48768300
Li       9.74460999       4.03860002       9.33443994       0.80495892      -0.09571539      -0.56605416
Li      10.75310001       9.48520004       4.59114003      -0.00176295       0.16319219       0.08908256
Li       7.32739003       6.89118002       3.04029005       0.50755661      -0.30518282       0.22885807
Li       5.88050996       5.12403003       8.61784001      -0.69874564       0.70575207       0.94942509
Cl      10.74210003       1.68972001       8.86897997       0.64611419      -0.35275828      -1.25048135
Cl       9.82690002       2.86655003       5.83880004       1.09799508       2.87231459      -0.97871671
Cl       6.43431000       8.39943997       7.07636002       1.24771919      -0.13467742       0.46405486
Cl      10.57030000       6.74666005       8.01194994      -2.07822974      -0.97272512      -1.26481714
Cl       3.24536997       2.17421998       8.65666001       0.98069441      -0.72280171      -0.14436585
Cl       7.67392003       4.86953001       9.62562005       0.46815393       0.27351237       0.59210916
Cl       1.90907996       5.40903995       5.39987001       1.32566904       1.48952578       0.72307217
Cl       6.81347995       8.16045995       1.36671002      -0.58132737       0.33153447      -0.77314211
Cl       7.08690005       0.54088003       9.17035996       0.06605351       0.19769106       0.51163923
Cl       4.60587002       3.01809005       1.51162999      -0.13607224       0.41325292      -0.29829775
Cl       5.18778003       2.02222002       4.59991995      -0.02380802      -0.07770525      -0.60550200
Cl       8.04183996       4.58461995       1.90431001       0.44582638       1.53355002       2.10822595
Cl       9.71733005       2.79403995      11.30179994      -0.42405081       1.06311969       0.89812925
Cl       1.36412999       1.57391003       0.65210499       0.06329614      -0.57619975      -0.02138090
Cl       1.47872005       8.44695999       8.46641005      -0.86479800       1.68974200      -0.96392932
Cl       3.65036997       7.92079997       9.91860004       2.63692795      -1.15600443       1.94494597
Cl       9.41967996       0.33282605       2.78250998       1.01388994       0.65334654       0.65697819
Cl       1.67243004       5.08699995       9.24042001       0.45560345      -0.92287856       0.34826165
Cl       2.84289005       6.35315001       1.50357003       0.70115010      -0.27120770      -0.31326450
Cl      11.23719999       6.95049002      11.05919996      -3.55284889       0.03979822       1.27075104
Cl       3.91190001      10.17559997       6.93281003      -0.06310013       0.91572415      -0.20412917
Cl       3.65071000      10.28129994       2.13956002       2.94252642       2.04767604      -1.00969992
Cl       7.75091998       1.14985996       6.09614997      -1.77479435      -0.78434136       0.57439629
Cl       5.42598003       4.38830997       6.83916005      -1.07561542      -1.24012457       0.51168721
Cl       9.64960000      10.31689997       6.58134994       1.62627387      -0.98561087      -0.27629403
Cl       8.85851996       8.48916000       3.96779995       0.07912810      -0.43787855      -0.06034476
Cl       6.97950003       0.34695406       0.77336199      -0.48409022      -0.36897441       0.48095779
Cl       1.63996997       1.50600997       4.84907005      -0.71428400       0.29029722      -0.14675682
Cl       0.12052501       4.19706996       2.19390999       0.92861592      -0.02232407       1.15266752
Cl       1.68146997       8.97911994       3.09583999      -2.92522349      -0.90959837       1.96383184
Cl       8.21123994       9.20893004       9.76279004       2.14553869      -0.43809650      -0.65613013
Cl       6.27248000       5.86122004       4.74858999       0.20868054       0.92011420      -1.54524921
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.62951314 stress="-0.011005615255573701 -0.0060873071129512275 -0.003226992007546838 -0.0060873071129512275 -0.028027938953183357 0.00186193454034453 -0.003226992007546838 0.00186193454034453 -0.023260134904098086" free_energy=-220.62951314 pbc="T T T" config_type=melt 
Li       2.10030999       8.93249002      10.44640002       2.30311845      -0.11833483       0.05178338
Li       9.99511999       3.75889004       1.37227994      -0.00309504      -0.59820142       0.34413677
Li       2.06066995       1.69386997       4.82816001      -0.10129310      -0.33434819      -0.01469113
Li       5.03729003       0.48409895      10.17760003      -0.22931593       1.72284470      -0.84883826
Li       7.27579997       5.19526999       2.23998998       0.10373620       0.39330286      -0.08512262
Li      10.69250005       8.64848999       8.22619005      -0.12962938      -0.28740025       0.01113656
Li       8.74223995       5.85855001       6.54056003       0.11823651      -0.00784750      -0.52802147
Li       4.53303000      10.54870003       6.22904998      -0.40996853       0.37552631      -0.21011754
Li       6.28180000       2.77035005       4.84996002       0.05854379      -1.16850032       0.45096979
Li       7.83382002       9.98372002      11.20009997      -0.32826137       0.27813256       0.35514419
Li      10.89840001       0.69571901      10.64370005       0.69401983       0.30870622       1.73349193
Li      11.38728679       5.75395004       4.66852002      -0.06450507      -0.80427807       0.42463827
Li       6.07333995       8.17187000       3.87405000       0.45313753       0.08657593      -0.22881479
Li       4.68522004      10.61959996       2.60462998      -0.03706421      -0.10337840       0.08980745
Li       1.41186003       9.45768004       5.34645002      -0.20285289       0.34221528      -0.70710052
Li      10.11469999       7.74716004       2.70328997      -0.49194927      -0.09481304       0.48837104
Li       8.29515996       4.44854995       9.53715994      -0.27363312      -1.74981742       1.38982228
Li       8.34491998       1.32225006       8.66519001      -1.81330702       0.33189738      -0.33382717
Li       1.15780998       0.20978498       7.77557001      -0.71396133       1.08080638       0.13508007
Li       2.67553002       4.32696002       2.80620997       1.08923063       0.16850948      -0.84195755
Li       3.57882002       2.86383002       8.79163999       0.33337701      -0.33333061      -1.51030921
Li       0.19144603       6.12563999      10.80889999      -1.06942480      -5.00672162       0.95885324
Li       4.75065998       7.10157994       6.71454997      -2.20659613      -2.21468850      -0.23004934
Li       9.70772000       2.66697996       5.26922996       0.10309364      -0.24541939      -0.05850074
Li       7.11013998       1.87094999       0.87245097      -0.13358259       0.16769388       0.61555555
Li      10.95969998       3.46548002       8.57619005       0.27167163      -0.36646860      -1.39953211
Li       8.30959005      10.09439996       6.35715001      -0.09441637      -0.69157362      -0.52997693
Li       2.13979997       8.37203002       2.50342997      -0.25535441      -2.82890388       1.36154101
Li       2.53845999       0.65916401       0.64353200       1.04421082      -0.13198195       0.63727299
Li       8.81250005       0.08891994       3.68407002       0.17365989      -0.41287781      -0.94768228
Li       4.74120000       5.00063001      10.52040000       0.08632775       0.35564348      -0.13257080
Li       6.43879002       8.06306997       9.36852004       0.57746919       0.52943650      -0.06342189
Cl      10.58649994       3.59159994      10.56599998      -0.37350170       1.23926281       1.58341129
Cl       2.16472996      10.85929708      10.57299995      -0.35641993       1.95258464      -2.69539943
Cl       5.36277997      10.01969998      10.31230004       0.90456696      -2.17160850       0.27725899
Cl       8.67423005       9.80070001       8.50057006      -0.76271384      -1.48003622       0.47552236
Cl       0.69807595       7.62143999       4.23911005      -0.10359891       1.05355481      -0.59312705
Cl      10.76049997       6.54001995       7.20337003       1.70203047       0.04738389      -1.11815545
Cl       2.55081000       6.22204003       1.86146995       0.00624480       0.02271733      -1.10141808
Cl       8.34026996       2.40494997       2.71153004       0.36598276       0.57605331       0.25817588
Cl       7.71262997       7.87846995       1.99421003      -1.52244033      -1.96965531      -3.91297339
Cl       8.81533998       0.62373204       5.65960004      -1.25777067       0.60404182       0.86455310
Cl       0.25741000       0.33795299       5.41060998       1.03627830       0.04454075      -0.22101614
Cl       8.38720002       6.08316002       8.55748000      -1.10687332       2.90788819       1.04932315
Cl       0.57152704       7.80972004      10.41589999      -1.36724142       2.95357286      -1.17683729
Cl       6.67790005       4.82697999      11.46030153       1.03328337      -0.15510466       0.36250324
Cl       4.16588998       0.74813599       4.20858996       0.26535712       0.60621111       0.31401722
Cl       1.43614000       3.80111001       4.26555000      -1.17446802      -0.28734347       1.28325722
Cl       3.86837002       8.97615001       3.99773995       0.36322806      -0.93286761       0.52016153
Cl       5.66686003       8.60404997       6.18840005       2.99536414       2.89293115      -0.10065682
Cl       8.61983995       8.70525996       4.10764995       1.33243813       1.66284411       4.41948094
Cl       8.30209001       0.82355204      10.93340000      -0.24732775       0.51142623      -0.90314401
Cl       5.37922995       6.46155005       8.48506003      -1.18004240      -1.54337883       1.57121907
Cl       2.52281996      10.04900004       1.80918996       0.16333800       3.16391455      -1.52610556
Cl      10.19889997       0.67861201       8.77619004       3.48519381       0.02913652      -1.88654559
Cl       8.78599005       3.34749997       7.52151996       0.23951011      -0.23796095      -0.94772766
Cl       5.51892003       1.66616000       7.76463997      -0.00232140      -0.43117623      -0.34539787
Cl       2.17078001       9.90770004       7.27531996       0.98987444      -0.96783500       0.56799412
Cl       4.49517002       2.75634001      10.54140004       0.09490807      -0.49246001       2.23011781
Cl       7.58858004      11.10480005       1.96139995      -1.57891257      -1.05624231       0.14146746
Cl       5.74892994       4.39445999       3.70825002      -0.64748388       0.97875959      -0.11793259
Cl       9.54706004       5.12792995       3.28123998       0.59763959       0.70222574       0.19899464
Cl       0.79781989       1.45980995       1.08476004      -1.86424166       1.25530789       0.64343833
Cl       1.66993003       2.78584001       8.04777994      -0.88150267      -0.12109373      -0.49152958
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.51545198 stress="-0.016781317890267895 0.006324720806960861 -0.004237192648966658 0.006324720806960861 -0.007286040645238706 0.003388728214801323 -0.004237192648966658 0.003388728214801323 -0.010727197773874795" free_energy=-224.51545198 pbc="T T T" config_type=melt 
Li       9.11345001       3.88700005       6.88531994       0.03098289      -0.09518310       0.00303082
Li       1.64396997       4.06291002       0.19255497      -0.48518073      -1.84316453       0.28157362
Li      11.42867215       9.31699005       5.00721005      -0.11121156      -0.03607670      -0.60410366
Li       5.53558003       1.62693004       6.33293997      -0.10408470      -0.39661178       0.20813883
Li       4.11025005      10.41910002       2.45214004      -0.10698684       0.33830528       0.19809988
Li       3.69019000       7.21195001       5.21952003       0.23337501      -0.51903177       1.25177899
Li      10.59490005       6.41602001       9.31837000       0.27260072      -1.60641405       0.68963542
Li       0.88482105       5.91272997       6.34705995      -1.34379734       0.05662229      -0.48760366
Li      10.02449995       1.39763996       5.27708998       0.06921815      -0.53263722       0.44990179
Li       2.38458000       7.63867000       9.91310005      -1.00423310      -2.00478260      -0.91466174
Li       2.24802002       0.54818003      10.27810003       1.15722579      -0.23169124      -0.02930219
Li       8.47746999      10.04980002       7.48280004      -0.39644355       0.18462096      -0.10573535
Li       1.36938005       1.53117005       2.89939004       0.31033352      -0.20072667      -0.25854047
Li       2.32778000       0.73838998       5.92886996      -0.04878848      -0.54660334       0.16427742
Li      10.81720001       4.08671996       3.03727001      -0.83320281       0.14105425      -0.08321932
Li       6.23916996       5.89869001       6.88389000      -0.67374321       1.24327278      -1.33091819
Li      10.85910000       1.09373004       8.92765003      -1.20655962       1.67397946      -2.19469591
Li      11.44830003      11.05930004       0.65578697       0.15358830      -0.37150896       2.73557723
Li       6.07805005       0.13115102      11.41190002      -0.35405024       0.06214057      -0.15727411
Li       0.39962199       9.70556001       8.35325004       0.44164846      -0.56477405       0.49039767
Li       4.77452999       2.79466005      10.30480000       0.15994219       0.20233854       0.29632505
Li       8.40839999       0.23369396       2.35517000       0.39677373       0.08578735       0.44106521
Li       9.82053998       7.49406003       1.97611000       0.15698195       0.05023937      -0.40171904
Li       4.52919004      10.28739997       8.71378996       1.26119510      -0.23631431       0.38360888
Li       2.34875997       7.05728999       1.66400999      -0.13996038       0.99832469       0.58964920
Li       1.80127995       3.67590000       8.09233002      -0.20399037       0.68769027      -0.67717085
Li       7.53416002       4.73952003       3.75481002       2.81344594      -1.99027549      -1.58089438
Li       8.99702004       3.48940001       0.16683497      -0.46025997       0.49987408      -0.28109425
Li       7.56253996       7.79290997      10.59140001      -0.07849148       0.08574717      -0.75702752
Li       5.21359002       5.76243005       0.55839103       0.02947009      -0.78786689       0.16855470
Li       3.65887005       3.65228003       3.91621000      -0.30232463      -0.35280669      -0.05157752
Li       6.68169002       8.54030995       3.73459998      -0.40448532       0.03615282       0.02082820
Cl       1.26902003       5.66677003      10.48090005      -2.75012873       1.45069070      -2.78675393
Cl       8.35102999       5.20164997       1.29369999       0.21453125      -0.22940939       1.11777719
Cl      11.42219999       7.37871000       7.82258996       0.34693606       1.61351850      -1.55525609
Cl       4.07197999       0.68768198       4.56587000       1.15695013      -0.34640344      -0.68120513
Cl      10.86660005       4.84082999       5.16194997       0.16605926       1.08701276       0.74551558
Cl       6.08980002       5.77857004       4.25621005      -2.76962240       1.17962111       1.24624753
Cl       8.07239994       1.20634997       6.82226996      -0.06332265       0.12601616      -0.13247895
Cl       7.10881998       9.45563000       9.26108999      -0.09450004       0.81466915      -0.19175520
Cl       1.38176996       3.78163002       2.69575003       1.18269178      -0.39465527       0.27721108
Cl       5.14159996       2.61551004       1.05858996       0.75761137      -0.05425674      -0.25208795
Cl       9.57516002       7.31044995      10.78830005       0.47560833       0.92316640       1.17788715
Cl       0.62976902       7.93899000       2.77010001      -0.22892773      -0.41360637       0.03008516
Cl       9.53942001       9.67781004       3.12683000      -0.42190320       0.23838923       0.06637150
Cl       0.20655503       0.02171988      10.26970004      -0.01049088      -1.58216051      -0.84622070
Cl      10.95209996       3.27686006       8.18532998      -0.27136889      -0.20809547       0.20017699
Cl      10.47850001       2.29955999       0.99161196       0.32561043      -1.14837287       0.12717621
Cl       2.56640005      10.29640001       8.13291999      -1.44398811       0.98564749      -2.25576695
Cl       2.71607998       5.93000997       7.11087002       2.13932998       0.43663114       0.20799689
Cl       3.90267997       8.40233000       3.60907002      -0.02633212       0.67495586      -1.46991676
Cl       6.64938999      10.51600001       1.94507997      -0.78100987       0.33512818      -0.30478226
Cl       6.19382999       8.51760999       6.04710005       0.33494199      -0.09315768       0.19846177
Cl       3.31433002       9.19767005      10.54489997       1.45532555       0.99344439       2.33181622
Cl       7.06773005       5.02104996       8.46120997       0.89605756      -0.89011473       0.80332385
Cl       3.08801000       5.36329002       0.76869500       3.73050717       0.14644845       1.75720481
Cl       6.28803003       7.50219004       0.67685098      -0.70124814       0.66186562       1.03826240
Cl       2.71529995       2.62288994       9.62199000      -0.87917115       0.28216476       1.05023312
Cl      10.84110005      10.73179995       6.82753997      -1.24454795       0.27966908       0.38084076
Cl       2.88262995       2.86133998       6.18042997      -0.05239955       0.68642902       0.07308555
Cl       0.83093595      11.31659999       4.32772997       0.00899216       0.77670044      -0.54327321
Cl       2.55635000       0.50877306       1.10125003      -0.36941328      -0.38982103       0.43471191
Cl       5.13957995       1.11609994       8.94574995       1.10437950      -0.89252783      -0.18687281
Cl       9.11905994       2.95976999       4.03900001      -1.41614532      -1.07926758      -0.51492046
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.16183 stress="-0.015431243165722272 0.00044996569706530075 0.0013701214781825382 0.00044996569706530075 -0.007578741171455247 0.003974761276206984 0.0013701214781825382 0.003974761276206984 -0.01587871045534108" free_energy=-224.16183 pbc="T T T" config_type=melt 
Li       4.36104998       4.24758995       4.15963003      -0.36729564      -0.51332848      -0.26469349
Li       9.31261998       1.00154003       1.56891000       0.29478493       0.03235063       0.19450866
Li       9.77728995       4.52277004       2.79828001       0.40962364      -0.88309421      -0.56604419
Li      10.29670003       0.53290204       6.73829995      -0.17357859      -0.06845751       0.06922373
Li       1.36614999       6.90152000       1.93460999      -0.53430821       0.33379590      -0.84470962
Li       6.19519000       2.06457996       0.56291002      -0.36592654      -0.18781076       0.32338077
Li      10.57270005       6.73788999       4.66089994       0.78376065       0.57327991       0.76449166
Li       9.06216994       3.55595004       6.77796005       0.33144869       0.32971995      -0.81286540
Li       3.94760998       8.10486002       3.91848004      -0.29556761      -0.07213554      -0.31763502
Li       9.94973003       8.32575996       0.95668798      -1.25438006       1.43697541      -1.24790012
Li       0.47329294       5.58078002       9.73883004      -0.01203979       0.19474385      -0.27687558
Li       8.51137995       8.67292003       8.52648999      -0.12082516       0.22007800      -0.11284985
Li       2.18951998       2.21915996       0.27725605      -0.09311144      -0.30514325       1.60641564
Li       3.24547005       0.41845299       5.14677001       0.14882575       0.66108924      -0.09155747
Li       6.81125003       1.93019005       4.73570001      -0.26052193      -0.18072814       0.93131301
Li       3.33162997       6.09354001       7.64733000       0.25780049      -0.58656065       0.21158940
Li       5.71118002       3.72598997       7.70922003      -0.58316222      -0.72650454       3.93620378
Li      10.69859997       2.26293001       9.89777002      -0.08560950       0.82292587       0.16723782
Li       7.44290997       0.61809402       9.10431997      -0.12323527       0.11914456      -0.62995891
Li       0.31386195      10.88759998      10.03550005      -0.07482452      -0.06454605       0.57872892
Li       8.19863004       4.42408999      10.49270001      -1.34072232       1.95033297      -0.36295010
Li       8.90744997       9.48231999       4.74419998      -2.07746696       0.79705662      -1.29257361
Li       7.01995003       7.38590005       2.36404003       0.25651841       0.04875508      -0.00489535
Li       4.30027003       9.67989997       8.00516997       0.34585319       0.93226197       1.10911683
Li       3.85759004       6.39369997       0.83211402       1.04135192       0.34636498       0.76906645
Li       0.99966803       3.40346996       5.92205995      -0.70305945      -0.31851374      -0.61902551
Li       1.16281998       9.14431002       6.43884000       0.65979791       0.32561429      -0.05970731
Li       5.94494001       7.62253001      10.20989995      -0.67119156       0.43606816      -0.56057665
Li       0.68323899      10.55399997       3.31056997      -0.39472792       0.34762436      -0.22433936
Li       3.94440995      10.75549994       0.39278401      -0.28838617      -2.80184873      -0.70929893
Li       2.56429005       1.69029999       8.61596996       1.26092104      -1.28524043      -1.37569987
Li       6.83450005       6.23282998       5.51506000       0.57850666       0.38919305      -0.05486744
Cl       0.03546911       1.08372998       0.70536895       0.02460384      -0.76142554       0.81972649
Cl       5.47224997       6.13227002       3.70972995       2.68086140       1.39439906       0.02610032
Cl       9.14819996       3.55426995       0.41631994       1.23644021      -0.90767426       1.91806221
Cl       7.53475994       7.66798004       0.04460545       0.87230720      -0.60274963       0.85935309
Cl       6.09843996       4.20426001       5.99391003       1.62419749       0.11029668      -3.48732213
Cl       3.60670998       1.58604004       3.38376997       0.44081611       0.81520402       1.54193919
Cl       8.83626997       5.78680001       4.19767000      -2.09797556      -0.74791276       0.84804947
Cl       7.86201997       8.36316997       6.17634994      -1.22176855      -0.82267074       1.15644968
Cl       2.57573002      10.76946710       9.79081998       0.31875222      -0.27342753      -0.68380571
Cl       8.26262995       3.75997995       8.66610004      -0.64213366      -0.29301619      -0.64050831
Cl       3.03178997       6.09074995       2.88149005      -2.36267738      -1.20314566       0.42860462
Cl       9.72971995       0.47836004       9.52922001      -0.68070021      -1.38596217      -0.32863778
Cl      10.76629998       5.79589004       7.46170004       0.62979940       0.60763198       0.17308954
Cl       1.41966995       2.58157004       9.94166996      -0.95173774       2.17542843      -0.71016382
Cl       5.48447995       1.92937999       8.89898004      -0.54903973      -0.33507518       0.48752276
Cl       2.37811002       6.17246997      11.00129995      -2.20570432      -0.42090291      -1.14984015
Cl       2.44064996      10.03040005       4.44805997       0.22978038      -1.50336844      -0.49407482
Cl       6.29235998      10.09659996       9.54130004      -0.19503172      -0.83846124      -0.30373291
Cl       7.47913996       1.91029001       2.75630997      -0.06888610       0.00158275      -1.01382258
Cl       3.51877001       8.13898999       6.81328001      -0.37669533      -0.56480467      -0.40954369
Cl       1.55388996       0.69303396       6.47769004       0.18777562      -0.52681060       0.88028154
Cl       3.07565002       3.81179001       5.87201997      -0.16805026       0.76835782       1.21659060
Cl      11.09720003       2.93306005       3.84213000      -0.07211351       0.29025515       0.04422757
Cl       3.98585000       1.15128004       0.71412801       1.43664927       2.49123713      -0.88690230
Cl       8.69802004       9.88080002       2.47364003      -0.02541035       0.26484340      -0.01321150
Cl      11.13339999       8.72846997      10.69010001       0.04551502      -0.08109338      -0.73984932
Cl      10.69580005       9.25585999       5.38764003       2.71774260      -0.00658234       0.63063464
Cl       7.83148005       0.38976500       6.69718996       0.22678032       0.36889232      -0.79919823
Cl      10.55670004       7.18795997       2.40489998       2.05873560      -1.22726176       0.83599299
Cl       3.65039003       8.66405998       1.48894000       0.57181445       0.71826218      -0.30063855
Cl       5.08998995       5.70727998       9.50380003       0.19961870      -0.11618515      -0.60565904
Cl      10.92960005       2.56355003       7.26837994      -0.43351781       0.30867645       0.46803322
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.13401455 stress="-0.0088530481133332 -0.0006798124288295694 -0.008862198733689075 -0.0006798124288295694 -0.014851106607784052 0.002115546654467822 -0.008862198733689075 0.002115546654467822 -0.013651398488812604" free_energy=-222.13401455 pbc="T T T" config_type=melt 
Li       2.61161001       7.32639000       0.94430301       0.01010501      -0.21183411      -0.46890868
Li       6.90361005       1.95376004       0.26078302       0.06556946       0.07292705       0.41828501
Li       0.56487603       5.69756997       9.98178003      -4.88044104       1.31165767      -1.63521604
Li       2.88730003       3.76650003       7.14146005      -0.74191363       0.00145668      -0.09419982
Li       4.63994003       5.11813006       3.07451998       0.53984071      -0.00409504       0.24388326
Li       6.50523996       3.01137003       8.34505996       0.50193011      -0.05979708      -0.39580273
Li       7.81021002      11.24250004       2.83782995       0.74389917       1.06055089       0.37210189
Li      10.62219994      11.19865811       6.85966002       0.10340577      -0.41597234      -1.28480606
Li       9.31494001       4.95755997       1.26897004      -0.65085666      -0.13589524       0.32680485
Li       6.15865001       5.82329001      10.68249999       0.19628962       0.23752834       1.15706923
Li      10.32480001       4.69023004       6.07076003       1.65855141       0.97806468      -0.80862926
Li      10.16859999       7.68383995       8.15667994       0.31949687       0.02105757      -0.25044098
Li       2.41888996      10.79120005       1.23258998       1.24144558       2.70430339       1.61094174
Li       1.92361999      10.40179996       4.40214002      -1.28567302       0.07353616       0.60294453
Li       8.12570002      11.19840005       9.15684002      -0.88866635      -0.21942075       0.19080468
Li       7.32814003       3.68646996       4.11013999       0.25470772       0.19450016       0.62098582
Li      11.08260004       1.27143005       1.46391004       0.47986074      -0.56794836       2.15089590
Li       3.74897997       6.64050999       8.59266995      -0.05607255       0.40567889       0.63225851
Li      10.60560001       8.73350004       1.44721002      -0.14325814      -0.07816105      -0.38915188
Li       8.92942000       8.01106994       4.69792005      -0.04325401       0.29346761      -0.09819853
Li      11.07580000       2.23852003       9.83411999       0.77224772       0.32556537      -1.14002770
Li       3.80353000       1.82433004       4.58821996       0.05774798      -0.32275971      -0.05599355
Li       6.13157001      10.57589996       6.38173997       2.15596985      -0.05131964       0.40914778
Li       2.60406995      10.23889999       7.53777001       0.16678341      -0.25412592       0.05152121
Li       1.50947000       7.20039000       5.78944001       0.36866264       0.56647483      -0.50588571
Li       0.27611994       1.62196004       4.77844000      -0.24110405      -0.17877487      -0.59453228
Li       6.09165001       6.18393999       6.64412995       0.27551229       0.12425172       0.08673332
Li       0.05374317      10.45679996      10.06680005       2.09929944      -1.31056098       2.16345536
Li       4.97732004       9.10192004       3.80411995       0.74768390      -0.15515922       0.22679665
Li       2.59213002       3.49648998      11.29699996       0.21803912      -1.49698787       0.25025031
Li       4.15071999      11.37049999       9.57890998       0.49980792       0.01885127       0.27354345
Li       6.86775002       8.61213000       0.28412602       1.09295773       1.51531318      -0.34040324
Cl       4.29978005       8.84751001       9.36648994      -0.15760931       0.39413976       0.01016997
Cl       2.46946004       1.22777006      10.72959995       0.15192763      -0.15505028      -0.50156458
Cl       6.77736999       1.89011001       3.12845002      -0.42942242      -0.83321935      -0.45373847
Cl       5.63477999       7.14975996       0.88141398      -1.47198665      -0.55979519       0.82827297
Cl      10.35769997       0.03555967       3.56533000      -1.57418633       0.24186699       0.29831737
Cl       5.70054999       0.98395600       7.73759997       0.89088393       1.60570579       0.74570369
Cl       0.45050597       6.22750001       7.27637995      -1.07036434      -0.63153833       0.31636482
Cl      10.23939995      11.17029995       8.90298004      -0.62297521       2.24119310      -2.18897676
Cl       7.00346004       4.21781996       0.44158401       0.51946090      -0.63956439      -0.02629219
Cl       4.19409005      10.86359996       6.16028998      -1.43823065      -1.26574860      -1.77196976
Cl       0.66046096       3.76182994       4.87102002       0.34234746       0.35629095      -0.03213562
Cl       8.90308001       3.75467004       6.99220005      -2.05634914      -1.40362996       1.08494511
Cl       6.29445003       0.08761989      10.60569998      -0.05252319       0.19517242       0.83026317
Cl       0.84462900       9.03975005       7.15145999      -0.44857329       1.16837922      -0.00955305
Cl       7.32441998       9.24517000       3.12977002      -0.67857519      -1.10220901      -0.09290954
Cl      10.23150003       6.56590997       0.12161996       0.51318441       0.16451692      -0.40680127
Cl       0.91813705       3.92976995       8.84580997      -0.95260439      -3.45830710      -1.45490814
Cl       8.49162001      10.24159994       6.04136997      -0.22089208       1.08026364       0.32569896
Cl       4.98357002       4.36929004       5.37846998      -0.16846685      -0.54255491      -0.28945130
Cl       2.17526999       5.34223002      10.59540001       5.84050104       2.93088956       2.42064758
Cl       0.29486896       8.51291995       3.32239996       0.42887238      -0.53181316       0.55232458
Cl       3.92053995       7.34459998       6.52086005       0.04211124      -0.21820320      -1.03314000
Cl       8.91473001       9.70946005      10.89395405      -0.23727041      -1.18368394       1.21477804
Cl       9.95903995       1.66958002       0.00622063      -2.30400644       0.81867377      -1.18671521
Cl       3.24706004       4.41003994       1.70288995       0.03369252      -0.14512244       0.97522952
Cl       1.66418998       0.74404301       6.34937001      -0.82453332       0.57523690      -0.02019814
Cl       8.39890000       5.48062005       3.45291001       0.27753000       0.37894816       0.04377485
Cl       8.43896996       7.41454000       6.84102001      -0.66742494      -1.20887103       0.15849885
Cl       1.75165005       9.50891001       0.09664285      -1.86222246      -3.10238523      -2.30814892
Cl       3.51279001      10.43629999       3.09886003       1.47359182      -0.42477448      -0.76560401
Cl       5.85569002       5.15719998       8.80703995      -0.77094489      -0.26212127      -1.50975815
Cl       1.32832005       0.79489306       2.40472997       1.85648344       1.07494143       0.52064857
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.06999613 stress="-0.015725844069188408 -0.0002568622676534315 7.524219766719992e-05 -0.0002568622676534315 -0.012832484473362252 -0.0062221717509660475 7.524219766719992e-05 -0.0062221717509660475 -0.015307854865435322" free_energy=-222.06999613 pbc="T T T" config_type=melt 
Li       0.33302496       0.36851401       1.60605003      -0.52676948       0.76260711       0.39296659
Li       3.23791005       9.74953000      11.23619996      -2.41964053      -0.40300152      -1.37610237
Li       8.32460998       8.93664995       8.87016996       0.73125641      -1.26605684      -0.04039779
Li       5.00277005       2.18028000       5.68801002      -1.50818980       0.98915814       0.25593539
Li       5.36994996       0.09540964       2.71084998      -0.69774977      -0.60282435       0.25404581
Li       8.55466002       3.08942997       5.62087004       0.37442784      -0.14495393      -0.15269121
Li       0.35777095       0.38921999       9.49914003       0.26734551      -0.27763482       0.02895698
Li       1.85840004       4.87879005       5.47800000       0.20613998       0.23459445      -0.60860629
Li       2.26442999       9.62600995       5.11573001      -0.54595321      -0.75686558      -0.12808759
Li      10.24890005       4.85208997       2.48024999      -0.21501514      -0.96103376       0.00234343
Li       5.40537000       6.91410996      10.48889994      -0.67711933       0.09387069       1.17423183
Li       2.11393002       7.10900994       2.78981995       0.26688298      -0.21222965       0.10133316
Li       9.23280004       5.79813005      10.68399998      -0.22600301       0.62662946      -0.02695491
Li       2.02763999       5.32229994      10.37919997      -0.50712245      -1.29827650      -0.67656931
Li       3.60176005       2.45157003       8.71588001      -1.06566639       1.26904832       0.99154291
Li       1.32803998       1.26675996       5.48387005      -0.19911610      -0.18130833      -0.25139090
Li      10.88149995       3.56774002       8.38975002       1.03889488       0.06098934       0.08470184
Li       4.77725998       5.88490995       6.92296004       0.44052752       0.35666462      -0.40931549
Li       2.00247005       3.65602003       2.15253999      -0.36276233      -0.09846355      -0.18878243
Li      11.02599997       8.69249999       1.31127003      -0.06183534       0.00463681       0.04152222
Li       7.77518000       5.57458002       7.61711005       1.77805738       1.76521206       1.37660966
Li       8.40737004       0.30068800      10.76129995       1.46196440      -3.05829036      -0.37884144
Li       6.34338003       6.24240999       3.57566998      -0.08425187       0.03035078      -0.50305604
Li       0.34525505       6.91204994       7.52735001       0.05779391      -0.14722377      -0.13798459
Li       9.88235996       7.45204000       4.94850996       1.79428401      -3.24121359      -3.57129168
Li       8.35608000      11.44999995       7.22517004       0.26138534      -0.09065666      -0.35570213
Li       6.82569995       2.55803995       8.83653995       0.80917855       0.39438114      -0.19180061
Li       4.16834999      10.83980000       7.51683004      -0.19107522      -0.24109478      -0.54165234
Li       8.40716999       1.90093000       2.69741006       0.43122495      -1.09958548       0.36132988
Li       5.43435996       3.71415000       0.68576698       0.00915448       0.30941862       0.08328292
Li      10.03359996      10.36869995       4.39270996       0.49165971      -0.68571658       1.25005932
Li       7.82300003       8.65592997       0.94025703      -4.19565816       0.06472183       3.55724997
Cl       9.15398002       8.65446002      11.26430005       3.81589854       0.09784036      -3.65318049
Cl       0.16090702       6.26641998       2.04843000       0.02005193       1.08489939      -0.39252156
Cl      11.12750001       5.19564005      10.04019994       1.56036216      -0.99292169      -0.23202683
Cl       9.27951997       8.67265005       6.07134001      -1.89642880       4.49541726       2.32162743
Cl       8.18950997       7.67665999       2.80913004       0.43846534      -0.43025470       1.61068451
Cl      11.31900003       3.19844002       1.13620004       0.16555877      -1.06295326       0.38843453
Cl       6.12405999       1.47271999       4.28123004       2.14572439      -0.18176778      -2.00106901
Cl       3.30876996       3.01345997       0.00551994       0.50994865       0.42642701      -0.17450733
Cl       7.17185002      10.59180000       9.01300996      -0.75934133       0.99991839      -0.11100971
Cl       0.74249499      10.47880003      11.44760002       0.19926394      -0.21489439      -1.02180771
Cl       6.69655002       4.28884003       6.71017005      -3.42851715      -0.61896505      -2.95979947
Cl       9.66715995       1.02440003       4.66144003      -0.19427441       1.96981292       2.10149055
Cl      11.45609998       4.04331998       6.19347001      -0.90715526       0.27154131       0.35291486
Cl       3.77487996      11.02840002       4.82193995       1.19101852       0.99850888       0.54413667
Cl       5.18335998       1.73852001       7.72035999       1.30983387      -1.04888534      -0.01099128
Cl       1.32826995      10.80609995       3.19922005      -0.59288846      -0.43770964       0.52440689
Cl       6.07508997       6.93296996       8.56302998       0.46162803       0.18101052      -0.60600319
Cl       9.66353001       7.20853996       8.52283999      -0.36530038      -0.61019553      -0.05207208
Cl       2.14972998       2.91596005       4.31728004       0.63050024      -0.49808693      -0.51388952
Cl       3.20213003       8.78916003       6.98130004       0.00892160      -0.27190449       0.89259944
Cl       8.89764996       3.53225005       7.96766996      -0.69760701       0.18453236       1.02574350
Cl       9.46015999      10.84979995       2.54923997      -0.89374686      -0.52915528      -3.80601603
Cl       2.47928998       0.71074398       8.49223999      -1.33235574      -0.77569213       0.06703476
Cl       4.66576000       9.94960003       1.00233003       2.32508897       0.50884348       1.61679418
Cl       2.87773000       5.15842998       7.39577997      -0.43982295      -0.54244342       1.54311351
Cl       0.83711497       7.48262005       4.74561994      -0.18389479       0.31329941       1.00985892
Cl       2.26158995       6.96742998      11.46079564       1.36164542       1.81580947       0.42468114
Cl      10.19379997       0.96759304       8.05817999       0.76757591      -0.98585101       0.60638294
Cl       7.55248005       1.94186998      10.82880003      -1.73851089       3.23163239       1.04615188
Cl       8.28865995       3.98348996       2.84044002      -0.76471919       0.75711374       0.44170466
Cl       6.12338004       6.35692004       1.08001005      -0.50260451      -0.93582267      -0.89491203
Cl       3.73056995       5.66238999       4.12253999       0.84943175       0.60504309      -0.50483891
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.2945106 stress="-0.014313154331605139 -0.0018755346951071928 -3.9378186637436674e-05 -0.0018755346951071928 -0.02324971381831813 0.0015717751322214275 -3.9378186637436674e-05 0.0015717751322214275 -0.014968922938112068" free_energy=-224.2945106 pbc="T T T" config_type=melt 
Li       8.41966996      11.23850004       6.42249996       0.12311302      -0.26021416       1.01794135
Li      11.39996640       8.47680002       0.03906178      -0.50507490      -0.97846182       0.45070957
Li       9.56988003       7.76894997       8.23100000       0.67745998      -0.54505157       0.63681842
Li       4.55321997       6.69621997       0.38504504      -0.60451347      -1.83020203      -0.66860637
Li       4.79844001       3.05785000       0.49188399       0.36384069      -0.48918631       0.32184322
Li       7.30626996       4.57175003      10.11860003       0.37013038       0.81475161       0.18068657
Li       1.89487995       5.40214005       2.63050005      -0.39177360      -0.71312424      -0.73842940
Li       5.40603000       7.64913001       8.94432998       1.32810867       0.19753709      -0.93181056
Li       1.14312996       2.02952001       9.87307000      -0.59173730      -0.19989292       0.20223136
Li       2.20016995       5.20200995      10.05120003      -0.36079181       0.62372852      -0.70699669
Li       2.16761002       4.91939997       5.76657003       0.20123281       0.86525905      -0.93521786
Li       1.79681003       7.91446997       8.74255005      -0.56502245      -0.31826695       0.12940668
Li       9.51393996       6.01370999       3.17985001      -0.01833240       0.10479472      -0.21657955
Li      11.41239310       0.07803162       1.09330001      -0.27228424       0.43288565      -0.08936635
Li      10.77079994       2.62427001       3.52241003      -1.79756619       2.29740084      -1.25889255
Li       6.28100999       1.62738998       3.88336002       0.47048273      -0.00169789       0.32628283
Li       5.38251000       1.80246995       8.39935995      -0.27315811       0.14077034       1.52508212
Li       6.23670995       4.99021001       2.74029002       1.27219753       1.28126800      -1.47836054
Li       3.92758005      10.62710000       6.85812002      -0.23652042      -0.56416227      -0.49018915
Li      11.05369997      10.62450002       4.27135001      -0.39444033      -1.67232701       0.41969166
Li       8.82516005       1.11519002      10.68039996       0.12259095       0.54134411       0.07359884
Li       7.81035998       8.92682001       0.73735796      -0.60855375      -0.81434611      -0.12695763
Li       1.84492997       8.69268995       4.71729996      -0.46175957       0.23136208       0.70134806
Li       0.17704196      10.35079996       7.98799005      -0.34926979       1.40425219      -0.68520856
Li       6.73124999       4.22935005       6.02275003       0.00855811       1.16492556      -0.59565312
Li       7.33439998       8.94062003       4.16175000      -0.61500941      -0.80849221       0.50565088
Li      10.95679997       4.31739996       7.88683005      -1.64403692      -0.18213495       0.55920589
Li       4.70885996      10.30210005       2.78007004      -0.67203126      -2.15364799       0.74985247
Li      10.86609998       4.50791004       0.28928403      -1.21426764       0.25047280      -3.84696824
Li       1.99017002       1.76258996       4.81928000       1.19401076       0.30215859       0.39305006
Li       3.63700996      11.38570002      10.74849997      -0.71798640      -0.47724019       2.36204179
Li       4.75346002       6.99455000       5.35341996      -0.85895843       0.93024468      -1.06900128
Cl       8.17403996       9.11852995       7.61832996      -0.78596911       1.06546129      -0.15301373
Cl       6.41461999       2.35605000       6.81671001       0.82396197      -0.90637491      -1.10252675
Cl       1.99737005       0.82671698       0.37154299       0.22212999      -0.18117732      -0.06045761
Cl       9.26627998       4.03368001       9.30544999      -0.13814343      -0.07345910      -0.62184557
Cl      11.23149995       8.46656998       3.24364001      -0.56389530       0.83881617      -0.88294059
Cl       8.80390998       3.85175002       3.59012002      -0.13361275      -0.15435983       0.34872350
Cl       0.04201991       9.15239004       6.29447995      -1.42534521      -0.65072188       0.17236710
Cl       3.59729001       7.13735996       9.67738999      -0.38866133      -0.73941231       1.67487903
Cl       1.44377005       4.21815999       7.55659000       1.73747513      -0.48057879       0.88736542
Cl       2.58553003       7.09289999       3.57043000       1.55731836      -0.41016730       0.11663437
Cl      11.26786911       5.49186994       1.72313999       0.72439501       2.95811514       3.59213185
Cl       6.36553006       2.67262004      10.37580000      -0.13383409      -2.41154691      -0.99582055
Cl       5.09857005       9.33713004       5.31767995       0.56663627       0.38079387      -0.68001169
Cl       5.39662000       0.57042796       2.20986999       0.32224093       1.59820777      -1.08162755
Cl       2.19821002      10.89389994       5.27555996       1.72402412       0.65535497       0.30022409
Cl       0.99365295       3.88262998       4.06159003       1.41945443       0.68679451       0.85548170
Cl       2.79613000       7.77566998       6.91224999       0.16106897      -0.24628857      -1.22874320
Cl       5.42351005       3.70505000       3.90130999      -1.67229228      -1.33300715       1.72277823
Cl       4.36280997      11.45839995       8.98777995       0.58307382      -0.40757449      -2.34012464
Cl       5.09225002       8.42276004       1.08892994       0.60774354       2.70663051       0.69348910
Cl       0.69737502       9.51419997       9.76332004       0.28735218       0.31496392       1.23341416
Cl       8.38742002       7.10582998      10.99860000      -0.00605357       0.39263236      -0.31206114
Cl       5.84485994       6.36200995       6.92943002       1.17505735      -1.21580573       1.19429317
Cl      11.16890005       1.30807998       8.08760995       0.09205966      -0.45994607       0.28291694
Cl       3.10290004       4.32089003       0.26019399      -1.28418803      -0.14913128       0.50935943
Cl       0.07686066       6.20548997      10.10999998       0.58700344       0.42347242      -0.63023646
Cl       6.93964997       6.94732003       3.35122999       0.73832289       0.20610420       0.31799589
Cl       9.03792998      10.69159999       0.60406094       0.81275091       0.70069940      -0.12200464
Cl       0.22443598       1.11479004       4.20492001      -1.48869427      -2.09537289      -0.50103173
Cl       8.02895995      10.84979995       4.42649004       0.65510532       1.39052699      -0.85472698
Cl       6.01014998       4.89888006       0.52867803       0.56192931       1.47010366       0.90697826
Cl      10.84939996       2.60858997       0.32088004      -0.31705147      -3.44845987       0.04093665
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.58586236 stress="-0.01591087491794213 -0.0050515874810098844 -0.001980466210033465 -0.0050515874810098844 -0.010631496589617444 -0.005181764527218346 -0.001980466210033465 -0.005181764527218346 -0.010396207143306732" free_energy=-224.58586236 pbc="T T T" config_type=melt 
Li       6.90925002       1.86347001       4.36312994      -2.85359082      -0.80905231      -1.19326704
Li       9.88388999       2.85077002       3.51455001      -0.47419611      -0.48032124      -0.49274716
Li       2.09069995       8.35684994       6.86675996       0.52964586      -0.06125360       0.88753697
Li       7.87918005      11.15309998       2.68622000       1.50040866       0.07642932       0.43622933
Li       3.37031996       2.07094000       4.06117995       2.21748213       0.82619588       2.75107005
Li       2.58141997       3.05547999      10.55820003      -1.17242914       0.37721051       0.15982747
Li       4.37070004       8.50462004      10.01089999      -0.39340580      -0.61725118       0.14854275
Li       4.80038997       5.49743998       4.34200001       0.03854517       0.04954004      -0.06397673
Li      11.36410005      11.15690004       9.48878997      -0.50091874       0.02638112       0.02959106
Li       0.96827195       3.80217997       2.33821995       0.65203966       0.05224935      -1.62424590
Li       9.20301997       1.93812998      11.33919998       0.31410446       0.45035970       0.63027010
Li      11.00510002       6.22068002       4.56780002      -0.45641309       0.26859942      -0.12893120
Li       2.67328004       7.64529005       3.00809996      -0.28552987       1.57461249       0.32453307
Li      11.14659996       8.52542003       1.26912000       0.84727364      -0.45230524       0.23416763
Li       7.76279995       3.02162001       8.06174000      -0.20054254      -0.48190474       0.10347397
Li       4.81202002       4.75209004       1.06508997      -0.13167211      -0.04574586       0.36935163
Li      10.32639996       8.58957001       7.79197998      -0.11332308      -0.35940167      -0.11405043
Li      11.36740004       4.83467997       8.63409005       0.14086694       0.47988505       0.53439493
Li      10.88350000       9.95559000       4.85568999      -0.77285184       0.77169017      -0.10305751
Li       4.37300000       3.11663000       7.67208001       0.24475027       0.68902239      -1.62430632
Li       5.55494997       9.72907004       4.78982002      -0.79179611       1.24191480       0.20280788
Li       5.98850003       1.64197003       0.63192201       0.31805046      -0.65226763      -2.35495080
Li       4.13872996      10.38010003       1.38878002       0.02420892       0.11934657      -0.01419720
Li       8.70248996       0.37954299       6.90635002      -0.65305980      -0.10394840      -0.32900874
Li       3.85092998       0.47393598       8.41534999      -0.22076793      -0.10294853      -0.13887219
Li       6.66846001       7.90311999       2.38769003       0.64209034       0.27693369       1.00054999
Li       0.38294295       0.05655719       2.17855004       1.04937271       0.74489633      -1.12037467
Li       7.53113998      10.19999997       9.86638002       0.48421407      -0.50627679       0.23481600
Li       0.44206803       2.66406998       6.21326997      -0.15530493      -0.03139320       0.35845845
Li       7.86135997       4.75240003       5.18088002      -0.39808343      -1.10340027       0.81447165
Li       6.49054998       6.70812000       7.72348997       0.09705908       0.56401825       0.29719866
Li       8.93008997       5.77075002       0.45862004       0.31632252      -0.21237614       0.47914990
Cl       2.50223997       1.46241005       2.54680003      -2.57368615      -1.58116625      -2.29171342
Cl       5.38114999       3.42085004       5.15678004      -1.61786181       0.03521633      -1.88116417
Cl       0.74307096       5.25778998      11.10759997       0.73033588      -0.52310603      -1.33485736
Cl       5.40808004      10.17239994      10.59890005      -0.65480324       0.73017695       0.41107194
Cl       0.17196695       3.91193004       4.22347002       0.03227397       0.32286901       1.65895701
Cl       4.47933005       2.62084999       9.64344001       1.47067155      -0.49920951       1.96532859
Cl       8.27187005       6.39200005       4.11545999       0.04395101       1.00165396      -0.42547639
Cl       9.58683994       9.23558002       0.29221991      -1.28842528       1.43772594      -1.25482102
Cl       9.87389004       3.35875996       7.84103002       1.11659172      -0.28139762       0.52579658
Cl      10.50290001       6.61144001       1.77888001       0.14565848      -0.62653220       1.18804047
Cl       7.64400995       0.57554595       0.69074798       1.77144047      -0.65338723      -0.40687631
Cl       6.55881002       4.58111004       7.19140006       0.67720197       1.20010514       1.90605893
Cl       5.44338005       6.87018996       1.08640998       0.00371748      -0.25736812      -1.26362463
Cl       5.02670999       2.60330001       1.88523001      -0.71441847       2.27493381       1.59211572
Cl      11.42900003       2.35229006       0.76799797       0.02971711      -1.11874386      -0.71460177
Cl       4.18219001       6.99068000       8.55876996      -0.12819042      -0.15618399      -0.76742841
Cl      10.58459997      10.69110004       7.07430997      -0.05589481       0.45651605       0.33161149
Cl       4.94446994       7.82253000       4.43573002      -0.82432930      -1.29134859       0.27097465
Cl       1.78076004      10.54229999       8.81070004       1.32822590      -0.58237037       0.02897951
Cl      10.84600000       6.55350997       6.97327997       0.41961811      -0.67019901       0.32014015
Cl      10.51459999       0.42392202       3.62913996      -1.14717782       0.03794875       0.99678912
Cl       1.42593002       9.62322000       1.92370001       1.34014862      -0.39281676      -0.11095588
Cl       8.40647996       8.11365003       8.66787001      -1.11613229       0.06047753       0.27121356
Cl       2.21484996       2.41874998       7.87745995      -1.27716561       0.19207613      -0.93865537
Cl       3.06822999       5.69602997       2.81028002      -0.39687543      -2.18129397      -0.12689560
Cl       8.43078996       2.38287997       5.36127998       2.22793127       0.47991721       0.96139915
Cl       7.49944996      10.24690000       4.99672998       2.62781808       0.80623051       1.35822573
Cl       6.12840999      10.15779995       2.55533002      -2.41366040      -0.67902772      -1.28054581
Cl       4.62242995       0.52576404       5.54297002      -0.41324579      -0.66546821       0.44093741
Cl       8.66111996       3.55393004       1.67492995      -0.56970046       0.55185178      -0.26926544
Cl       0.88789095       8.52064000       5.15627000       0.79824884      -0.58207695      -1.07781708
Cl       7.32436002       0.75367094       8.87213998       0.58546728       0.58455897      -0.77739699
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.69217136 stress="-0.015413027308855362 -0.0008296294071101204 -0.0007543418836036482 -0.0008296294071101204 -0.012259308502574801 0.0003879859448264894 -0.0007543418836036482 0.0003879859448264894 0.0007799467260831972" free_energy=-225.69217136 pbc="T T T" config_type=melt 
Li       8.68292995       7.07812001       8.79810997      -0.17824250       0.32954926       0.19418695
Li       2.88772995       8.14399999       6.24940997      -1.26007696       0.33501393      -0.40754731
Li      11.10770005       5.88818999       6.61488996      -1.23184111      -0.02507724      -0.59806805
Li      11.31779995       3.33409995       2.40410000      -0.79829532       0.00603197       0.55910195
Li       9.65755002       0.74963598       6.13192999      -0.88285952       0.90530380      -0.27501579
Li       6.06272999       9.61974002       6.12757998      -0.07355365      -0.10976756       0.11158357
Li       1.85534997       9.09226998       0.26172298      -0.90075432       0.48052929       0.28630341
Li       7.61224999       3.94020004       1.65490001       0.01994967      -0.22031191      -0.31802961
Li       2.18964998       0.30087097       7.53645001      -0.01437155      -0.52008984       0.41903092
Li       5.53138995       0.89777202      11.45799996      -0.10790245      -0.81385970      -0.11786140
Li       8.22023998       0.84531502      10.81109998       0.37286276       1.94324902      -2.48735245
Li       2.97789995       5.01432994       4.85165995      -0.78416399       1.31936969       0.53152864
Li       4.29157999       9.36655999       3.29750998      -0.21552706       0.18751054       0.13825776
Li       6.58551996       6.25774003       6.39750004       0.03207898       0.54828317       0.17966589
Li       4.03747996       1.63037998       3.94104003      -0.23949092      -0.55268892       0.00328844
Li       1.57558004       6.98153999       9.30984998       0.11010891       0.53858924       0.27413274
Li       8.70880002       4.06978997       5.33545004       0.56654315      -0.44706452      -0.33493613
Li       1.81836999       3.33453994       8.99932998      -0.29118154       0.02168828       0.74879756
Li      11.12010005       9.17144998       7.07677995       0.33337618       1.22661284      -1.25652992
Li      11.10150005       0.98129102      11.16320001      -0.71584742       0.11510024       2.06326535
Li       5.33428000       4.43897005      10.40939998      -0.04927966      -0.35330250      -0.53461667
Li       0.96786096       3.04505999       5.84726996      -0.54315599      -0.19631509      -0.40149025
Li       6.71616002       8.99339997       0.62978598      -0.62472819      -0.54679332      -0.12526234
Li       5.54526999       6.57240001       2.80409997       0.01538404      -0.36800107       0.15066487
Li       8.61022005       3.52251000       9.06904003       0.80966121       0.68246359      -0.20103758
Li       1.19908001      10.95220005       3.87896003       0.24588407       0.00108254      -0.48611277
Li       2.73300000       3.02632002       1.09028995      -0.42764334       0.41108640       0.03076937
Li       7.46984999       0.08108467       3.22249999       0.50696946       0.26621622       0.34533828
Li       9.18068996       7.73112002       3.47766002      -0.66088716      -0.00815285      -0.01675397
Li       0.72256205       7.51275999       3.13594995      -0.78985228      -1.67486954      -0.08855834
Li       5.27887004       1.70131006       7.89262994      -0.18858988      -0.27761774      -0.27725737
Li       4.35809002       8.97022997       9.00832004       0.44099602       0.05463754       0.07067528
Cl      11.04269999       9.44221002       0.78121800      -0.24695703      -0.08345718      -0.23937060
Cl      10.31600003       3.14925998       6.98114997       0.77186909      -0.84092646       0.34586655
Cl       1.97141996       8.94269002       2.81754001       0.35438838       3.13196931      -1.28262880
Cl       6.89559996       5.64496004      10.84569998       1.71430266       1.60015563       0.25733089
Cl       4.35378002       0.00101619       8.93478001       0.72228791       0.34442709       0.35866274
Cl      10.89919999       7.78038994       8.48684995      -1.26437410      -0.83713999       1.43205767
Cl      10.89279994       7.74094995       4.81410996      -0.63157162       0.70581031       1.03803234
Cl       5.88116995       2.96127995       0.37700205      -0.57380981      -0.56317369       1.65542432
Cl       6.77450999       8.30196997       3.71973998       0.42571960       1.17384098      -0.43544973
Cl       8.53765001       5.32624996       7.37797995      -0.94800577       0.50595801      -0.25786938
Cl       1.52688998       6.00526001       7.39386004       1.92914163      -1.03013732      -0.65129526
Cl       7.08345996       0.19221402       5.67812001       0.25363168       0.06713094       0.13392608
Cl       7.64055003      10.88039995       0.37230101      -1.39501075      -2.66510922       1.56482238
Cl       5.32549997       0.15879404       2.73036998      -0.72031843      -0.08698454      -0.48624636
Cl       3.70698001       7.16969003       3.83320002       0.51772851      -1.87871640       0.50180476
Cl      11.41950004      11.20989998       5.65763999       0.78657030      -1.07304014       1.16855039
Cl       7.42769996       5.35823003       3.61392995       0.51789651      -0.84616791       0.05424123
Cl       6.99255005       8.33502000       7.95482997       1.64284180       0.83729414       0.79784652
Cl       7.02163998       2.19580000       9.14277002       0.00141643      -0.58556381      -0.46919464
Cl       9.18629003       2.01135005       0.67692000       0.38369303       1.10415839       0.53359658
Cl       0.59625801       1.04582001       9.47859994       1.03368068       0.14543634      -2.02673684
Cl       3.30447005      10.22109998       5.38166004       0.22547269       0.85927175       0.28619667
Cl       1.29558999       1.93767004       3.08031999       2.06582400      -1.40138503       0.25211921
Cl       9.90429996       1.83114005       3.99162995      -1.67219713       0.38797410      -0.12487595
Cl       2.21787000       9.44506004       8.92433995      -1.23695325      -0.95816396      -0.62715677
Cl       4.06746994       3.75644998       3.73653000       0.97855418      -0.46962936      -0.75832323
Cl       0.11647605       4.85092004       4.17401002       0.55662907      -0.02469450       0.25118624
Cl       3.89805001       8.62977994      11.43249996       1.74216135      -0.34863043       0.29300309
Cl       0.39910300       3.54050995       0.37149598       0.77559948       0.48874490      -0.78338231
Cl       3.28778999       4.61849999      10.46369996      -1.30760060       0.06250754      -0.23048940
Cl       2.88174995       2.51977998       7.25838997       0.24382516       0.18066339      -0.97056402
Cl       4.70035002       7.51630005       6.79140995      -0.12200526      -1.16082863       0.23875461
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.27013276 stress="-0.021085951624441532 -0.0044158203272666305 0.0004195550361135316 -0.0044158203272666305 -0.020571054290845384 0.002293444793973616 0.0004195550361135316 0.002293444793973616 -0.027355191013906974" free_energy=-220.27013276 pbc="T T T" config_type=melt 
Li       1.37815997       2.82950000       1.84671003      -0.79095646       3.00992491      -0.16810419
Li       0.48970005       5.69414994       7.63626995       0.09236312      -1.12815484      -0.99221025
Li       8.66189002      11.25399997       7.47724996       0.15674393       0.31442540       0.47031064
Li      10.57450005       3.18747994       5.95207997       0.08036054      -0.15635756       1.15161642
Li       3.46433004       5.55115999       5.82985996      -0.16433114       0.05821565      -0.26280412
Li       3.25490000      10.53960003      10.62859999       1.14823751       0.86479507      -0.70436546
Li       1.96770003       1.86623003       7.26322996      -0.19260937      -0.67603355      -0.12981335
Li       7.49394997       9.18312005       9.74554995      -0.61114402       0.03073444       0.90895777
Li       9.76372003       2.59591999       2.98091001       0.64148006      -0.33477903      -2.22679982
Li       0.28040804       9.29771000       9.49884999      -0.49059537       1.43942440       0.58674726
Li       7.71836005      10.90500000       3.78208996      -0.57023549       0.06678173      -0.22922241
Li      11.43389998      11.26239996       1.20290999       0.16760736       0.04077742      -0.32084138
Li       8.61178997       7.84010004       1.71834002       0.33915045      -0.55066205       0.19174720
Li       8.47390001       3.97453006       0.45124496      -4.39911619       1.15261318       1.35432726
Li       4.96380995       5.65047000       1.85185004       0.38187617      -0.57967544      -0.64187437
Li       8.33849999       8.09197004       6.20428003       1.26206021       2.09724485      -0.74034885
Li       5.36510997       7.79746002       7.13482005       3.89287036      -0.15448337       1.75316483
Li       5.19434000       1.86061999       1.32679002       0.48547844       0.38710405       1.21242490
Li      10.70219998       0.15649304       5.17267997       0.46371362      -0.20908544      -1.17871624
Li       8.14988002       4.71294995       8.95487001       0.34822202       0.64128618      -0.45780079
Li       5.01514998       8.46185002       4.44126004      -0.06773136      -0.35272582      -0.30235368
Li       6.12188005       1.83783003       5.30645000      -0.49692435       1.66463761      -1.16107360
Li       3.53190005       2.95181997       9.92037999       0.30860704      -0.15269106      -1.04104309
Li       4.86957002       9.26729996       1.60051003       1.02315863       1.65816411       0.08843068
Li      10.99259994       5.72997995      10.90780004      -0.38686622       0.21605314       0.27693033
Li      10.38649996       1.90256996       9.69694002      -0.29829148      -0.91814271      -0.10213208
Li       1.49569005       8.37765004       1.33818002      -0.25634756      -3.12366639       3.66908442
Li       3.17673000       1.02745996       3.86050002       0.44263158      -0.63268652       0.34356834
Li      10.53219996       6.15539003       3.89349995      -1.64714237      -1.18599651      -1.79322638
Li       4.58056996      10.93209995       7.10055997       0.34517251      -0.28834483      -0.10945212
Li       1.78266999       9.17570999       6.63976997      -0.09435834      -0.35152841       0.05830078
Li       7.73280997       4.83361999       4.74048005      -1.71678591      -2.24122001       2.68009017
Cl       9.67048001      11.08099997      10.35909999       0.49768315       0.29227352       0.36186979
Cl       2.04995005       1.11112995       2.08521005      -0.74333125      -3.55895885       0.01130820
Cl       1.65952998       9.45306005      11.37010000      -1.17854716       2.07225736      -2.37893153
Cl       6.57136994       3.42874996       2.13779005       0.41755347       0.45167076      -0.26969930
Cl       6.30400000       9.42106003       5.93079997      -0.30015112       0.15616758      -0.86332826
Cl       7.39909005       0.55109104       5.84919000       1.84611458      -1.14472553       0.79698913
Cl       4.19352005       6.18485999       3.68693002       0.00942485      -0.64289964       2.25187354
Cl       2.72425000       3.92941995       7.50879003      -0.13397110       0.84131019       0.73339525
Cl       8.42166004       7.22272001      11.03850005       0.08563251      -0.66157110      -0.60002449
Cl       1.96283000      10.85989998       5.19117999      -0.42832421      -0.07433877       0.17929131
Cl       5.12117004       9.27468995       8.86853000       0.01407721       0.48665936       0.99172080
Cl       8.47047999       5.87104998       3.46802005       0.87495717       2.56261065      -3.56559467
Cl       9.98890004       0.33827399       2.90794995      -0.15583362      -0.73415615       0.06286812
Cl      10.88399996       3.64169999       8.44272004      -0.02361417       1.63024469      -0.49487358
Cl       0.60481197       7.54798995       8.47491002       0.17509978       0.17103062       0.37481155
Cl       4.11225997       1.93891001       5.63995004      -0.71959753      -0.08747364       0.58425932
Cl      10.69779999       0.96813403       7.04839004       0.00298162      -0.07325801       0.50172325
Cl       4.89513995       0.55245598      11.33650003       0.13127791      -2.29192581      -2.50175471
Cl       0.24186501       6.45299999       5.26859002       2.44223077       1.08796445       3.63002671
Cl      10.12000004       3.37255997      11.42659998       3.77995701      -0.79435326       0.01496128
Cl       6.99086996       9.01474004       2.56443002       0.15543227      -0.15117270       0.06984451
Cl       5.05738003      11.41469994       2.82783000      -0.01318135       0.03372638       1.06044342
Cl       7.08344999       2.99464995       9.25441996      -0.18860903      -0.26043051       0.28971923
Cl      10.90170001       7.03271997       2.04948999       1.16530725       0.96117208      -1.98448675
Cl       3.53631999       2.98755998       0.49509904      -1.07611609       2.65928463       0.42736657
Cl      11.27600004       3.66329996       4.04035004       4.01888045       0.62154893      -2.04487263
Cl       8.59111998       9.11183997       8.00251002       1.41092348       0.11113551      -0.12957656
Cl       3.69076000       7.89898998       6.45408004      -4.58522964      -0.45234103      -1.64405598
Cl       8.93477003       2.87909001       4.65607004      -4.72870962      -0.09007648       2.98755194
Cl       7.29047998       6.55473997       6.26905997      -1.84844529      -3.73292567       0.96762959
Cl       1.70756004       0.00900691       9.06210998       0.44624913       0.50677676      -0.71760509
Cl       3.76717000       7.61707004       1.31735997      -0.74641932      -0.50117493      -1.28636873
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.03657879 stress="-0.015722395566739756 0.0009223281633345378 0.0030878058984094747 0.0009223281633345378 -0.017378117342704395 0.005903631189723075 0.0030878058984094747 0.005903631189723075 -0.004202071077930437" free_energy=-225.03657879 pbc="T T T" config_type=melt 
Li       3.36995001       9.31674001       1.84869003      -0.88451385       0.55983820      -0.38990826
Li       9.99556996       1.93442003       9.96218999       1.94760680       1.30676809       0.63865428
Li       9.95274996       5.72460996       4.65724995      -1.19759337       1.58128302      -0.97530167
Li       6.85149000       0.98483302       9.12542995      -1.82351203       1.22537947      -0.28473252
Li      11.11669997       8.50054002       7.65208997      -0.63834831      -0.99111714       0.26376171
Li       4.43487994       8.03043002       5.30056997       1.03123508      -2.41103268       2.35633472
Li       2.04531000       0.15072697       5.15393002       0.12467466      -0.16082048      -0.18745696
Li       8.07369999       7.88681996       6.88925999      -0.69166700       0.49155427      -0.17067878
Li       8.60804997      10.12419998      10.10609995      -0.20520892      -1.54925693       0.86941724
Li       0.26015799       8.91113997       3.78566005       1.20936476       0.17791897      -1.31924439
Li       5.34515995      10.83189997       0.21202303       0.72299370       0.34651752      -0.00465087
Li       7.88175000       2.11330006       1.80527996      -2.69223679      -0.62099423       0.82987943
Li      10.77450004       2.76466996       2.98140997      -0.07504648       0.42694272       0.07211718
Li       6.27894000       7.61788996       0.32383599      -0.22470241       2.60479274      -0.76322731
Li       3.71416995       5.22253996       9.07007995      -0.44750720      -0.28200819      -0.67091651
Li       9.19518001       5.26872002       0.49621096       0.06077422      -0.04647833       0.68287368
Li       5.84215999       4.11373003      10.98189998      -0.14946474      -0.43769760       0.33211353
Li       3.46812002       1.28161996       9.43906996      -0.97715366       0.46225410       0.49106021
Li       1.69438001       5.83762999       2.18134996      -0.36661478      -0.17764263       0.24241699
Li       4.97258001       2.96151004       6.33781000       0.27928165       0.48091712      -0.07125359
Li      11.00040001       0.28391198       6.75270000      -0.62947763       0.19690841      -0.60239701
Li       5.95882005      11.15389995       4.55079000      -0.61406271       0.96977553      -0.61142976
Li       4.68839003       8.78609999       9.14343999       0.05383024       0.23936320       0.65789281
Li       7.97271998       8.68441996       3.49809005       0.01186288      -0.02500512      -0.01786559
Li       3.04482005       1.80926998       1.90101999      -0.13736751      -0.28501478      -0.22362095
Li       0.55777403       7.21041001      10.44919994      -0.28918421       0.36841465       0.63173821
Li       0.57880502      10.56459996      11.11580002       0.96396559      -1.39918164       1.98541250
Li       1.77910999       3.80507997       5.73528997       0.27998767       0.29482969      -0.18401624
Li       8.52103999       3.18869997       6.00407002       0.48473302       0.21505908      -0.42160125
Li       1.43590005       4.12992000      10.92039997      -1.39975904      -0.49346189      -0.13735598
Li      10.80550002       4.78934001       8.23715002       0.64369230      -0.21422273      -1.00524864
Li       6.15969005       5.43961002       3.19485996       0.07321699      -0.52140715      -0.16802237
Cl      10.23690005       1.91073998       7.57543005      -0.78743042       2.21775657      -0.53216555
Cl       1.30349002      11.37199997       2.94359997      -0.41983601      -0.01907568       1.03270294
Cl       1.71623001       4.48625998       7.77874000      -0.55555235      -0.52835596       1.49378511
Cl       3.42630004       4.34195003      11.06869995       1.53558926      -0.18873553       0.65613172
Cl       8.11670996       4.33379996       3.60057005       0.30763684      -0.99118707       0.82009319
Cl      11.05189996       4.19933003       5.21742998       0.75344444      -1.98729440       0.12399587
Cl       5.60509003       2.33098002       4.17573998       0.44747003      -0.76654785       0.08702414
Cl       7.39586996       8.38369997       9.39006005      -0.76301536      -0.35873610      -0.49559907
Cl      10.69139994       4.67731003      10.34719995       0.18370063       0.41709632       0.29829852
Cl      10.30419996       6.29776997       2.27690003       0.31344740       0.32180334      -0.01527771
Cl       2.45835001       7.00457001       9.44965997       0.44473402       1.17734928      -0.49140438
Cl       3.23933999       5.70362999       5.48340999       0.64899528       0.44528071      -0.77048985
Cl       9.68864000       6.51591997       7.20623002       0.38054038      -0.38594458       0.34681359
Cl       6.88600998       5.88194001       0.83180896       0.55949612      -2.58680733       0.40298042
Cl       1.69570998       7.87701995       1.29334001      -0.73100149      -0.11741041       0.17550339
Cl       8.65407998       0.57914998       9.61138004      -0.06354299      -0.80029938       0.34426308
Cl       4.45780002       8.77581997       0.13641989       1.15103515      -1.44074128      -1.37955411
Cl       3.25226998      11.32196504       0.45042904      -0.93889542       1.21838420       0.45047406
Cl       6.76773002       9.52803002       5.50319000       0.55162079       1.32030541       1.39708770
Cl       6.62520001       6.97750995       4.57871997       0.07072478      -0.88366804       0.02602289
Cl       7.49838997      10.06749995       1.32474996       0.02779720      -0.19949457       0.35514447
Cl       0.64178404      10.19749995       7.14090002       2.42289878      -0.14009745      -0.31161676
Cl       3.13242996       1.94111001       6.10972001      -1.08496830      -1.02419513       0.19605846
Cl       0.70329896       0.72400299      10.16710001       0.34526762       3.32700121      -1.45846546
Cl      10.13870001       8.83185003       5.00578997      -1.36716378      -0.03075237       0.30242511
Cl       1.20771995       3.47780997       2.09521997       0.91145374       0.21008789      -0.26181169
Cl       5.03612996      11.41859998       9.09446998      -0.07322348      -1.61379694      -0.70766752
Cl       9.52412999       2.71211999       1.03756997       1.84001129       0.26456798      -1.04895341
Cl       5.80351998       1.84118001       0.41441401       0.62773416       0.45172535       0.42020131
Cl       5.86964996       3.33055003       8.79840001       0.06345913       0.21491825      -0.92342493
Cl       3.99556002       8.97229996       3.78162004      -0.83211670       2.16455010      -1.72415346
Cl      10.70020004       9.39094004      10.15439999      -0.41410965      -2.02086179      -0.65316592
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.72224004 stress="-0.01883135669208237 -0.0009326386932633489 0.004981866971704098 -0.0009326386932633489 -0.013104840257571684 0.008142916898566194 0.004981866971704098 0.008142916898566194 -0.016620195710198196" free_energy=-221.72224004 pbc="T T T" config_type=melt 
Li       2.33543997       7.34794996       5.52955005       1.52470098      -0.35939513      -0.12608669
Li       2.04531000       1.82231003       1.05788995       1.08495232       0.06939912      -0.27199937
Li       9.31000005       0.99540996       2.57240997       2.16599286       0.49772965      -1.24067079
Li      11.46159997      10.20890003       4.10490999       0.37416220      -0.07332501       0.20205486
Li      10.41589999       6.23867997       3.57232998       0.50421619      -0.64434988       0.15302823
Li       0.06875897       6.87867995       9.51256001       0.19288366      -0.80210943       0.35946460
Li       3.89035002      10.25129999       1.71162997      -3.38770326       0.31030893      -0.07212371
Li       9.67271004       7.45925998       7.03249000       0.80978462       1.01762879      -0.45105742
Li       7.61413002       9.87623999       0.13748905      -0.05463589       0.56663975       0.23305502
Li       4.43849004       7.50674996       0.39440196       0.48261960       1.11965094      -1.23610594
Li       1.26353999       3.97407997       6.79245996       0.23089893       0.08667820      -0.40414061
Li       7.30261997       9.97867998       3.60198005      -0.27459613      -0.14500860      -0.48591789
Li       2.54004997       9.11689996       8.82896000      -0.90874729       1.15699052      -2.72561578
Li       4.65982998       4.52070005       9.58743998      -1.94051899      -0.08009359      -0.07280085
Li       6.77335004       4.23345999       1.22569995       0.14942051      -0.06279628      -0.27842835
Li       3.13399002       1.51545998       9.08698002       0.04325400       2.54279851       1.99311954
Li       0.49625395       0.52892703       7.54398995       1.11248578      -0.45615607       0.21862059
Li       0.14545099       8.49579002       1.12541995       0.28895369      -0.67494770      -0.61324453
Li       5.33111001       7.87159001       6.81376002       0.74318415      -0.41324209       0.35000576
Li       0.65271695       2.43666005       4.16659997       0.53725748       2.14341423      -2.09914385
Li      10.62890001       0.56585405      10.63350005      -0.36287936       0.32886753       0.15652131
Li       5.93246000       1.26514006      10.92270005       0.75424669       0.04081677       0.16187697
Li       2.77348003       5.65914995       2.10545998       2.29515631       0.83383888      -0.67102862
Li       7.87461004       0.15873694       7.03768997       0.53068978       0.78121462       0.77923703
Li       5.44613996       2.01327994       3.36580006      -0.38822497      -0.56854354      -0.28567417
Li       4.85811995       3.89639995       6.61170999       1.47831431       0.07166148      -1.23717297
Li      11.13330002       3.97761005       0.79868601      -0.09163057       0.38572774       0.13794407
Li       6.10931004       6.22621005       3.51452994       0.55972014      -0.09152058       0.09428862
Li       9.57709003       3.29364995       8.61006001      -0.52503166       0.05638751       0.10877717
Li       7.58864000       5.98525003       9.79383004      -0.13038014       0.32021902       0.00156903
Li       4.12055999      10.58309998       6.06642997       1.00864503       1.64105029      -1.37054669
Li       8.17702996       3.25467002       5.07484002       2.99566725      -1.12562620       2.68532831
Cl       6.75679997      10.64759997       5.62157004      -1.12078777      -0.76989978       0.26266347
Cl       8.81430005       4.15657996       0.07627014       0.85603961       0.61819448      -0.12012164
Cl       8.30688999       0.82436795      11.46400002       0.01316944      -0.87427163      -0.56029954
Cl       4.82073998       5.86919001       1.55280005       0.74251245      -1.14912879       0.44518791
Cl       3.28452003       8.99835999       6.86196995      -0.80388715      -2.80057499       0.09497484
Cl       2.85214001       8.65851000      10.56180004       1.38927975       0.14802017       3.65367544
Cl      10.07399996       0.94540106       8.26964999      -0.68520252       0.15924977       0.78146016
Cl       0.37065405       7.79192003       5.24103000      -1.47199185       0.50655744      -0.56224436
Cl       6.91239995       7.88065000      11.28719995       0.21368900      -0.69078965      -0.37761800
Cl       1.49750003       2.46956999      10.25129999      -0.03421502       0.07246640      -0.75337891
Cl       4.70347003       7.37757996       4.71468003      -0.31641439      -0.12180805      -0.35020083
Cl       6.80377005       3.67700998       3.98053998      -4.05702194       2.24941356      -2.54935521
Cl      10.75569999       8.68946998       8.91218001       0.10886506       1.40944072      -0.13900795
Cl       5.70402000      10.28800001       1.61547997       4.12025433      -1.04837613      -0.19924470
Cl       6.02980996       3.45945004      10.48320002       0.87481782      -1.04823842       0.87735714
Cl      11.45270002       1.71056998       1.18144004      -1.34065894      -0.21518275       1.10686449
Cl      10.14529999       5.67444995       7.97586004       0.98981880      -2.44525520       0.65370668
Cl       3.18816998      11.40170002       3.38595002      -0.73469755       0.01257384       1.19370098
Cl       7.48318994       0.88981099       3.13496001      -1.46295732      -0.40298187       0.82128945
Cl       7.66378996       7.39863996       7.22051004      -0.98044474       0.67907630      -0.32355040
Cl       8.44133997       7.06920000       3.59861001      -0.51575736       0.44295800      -0.21456559
Cl       4.25508002       1.40320002       0.81496598      -0.55034155       0.44353459      -0.02434479
Cl      10.05399996       3.56855995       3.91322000       0.20473987      -0.04397632       0.24667743
Cl       0.35841696       1.12409995       5.51836000      -0.29803151      -1.90301454       0.91977975
Cl      10.59009996      10.22720001       1.96647003      -0.13453214      -0.31027421       0.48780186
Cl       1.13269002       5.02076003       2.63000995      -5.00268883      -0.75089972      -0.08089751
Cl       7.20922002       2.38436000       7.47587998       0.06191945       0.32870913      -0.55370977
Cl       3.27129002       3.99905995       7.78664004      -1.66176493      -0.36399003       1.19457709
Cl       1.17443995       6.51143996       0.03650147      -0.99534971      -0.20374185      -0.12231052
Cl       3.13114997       0.11974796       7.83806994      -0.44206873      -0.64562378      -1.12728302
Cl       5.50512999       6.07119005       8.71624996      -0.05212729       1.32587769      -0.67181561
Cl       2.83902005       4.17521996       4.45952998       1.28297747      -1.08195274       1.99709879
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.46802694 stress="-0.009623181083681933 0.0035653934315604268 0.0003684924260754761 0.0035653934315604268 -0.025913694408590888 0.0035730224281649934 0.0003684924260754761 0.0035730224281649934 -0.020908627447873442" free_energy=-221.46802694 pbc="T T T" config_type=melt 
Li       8.44522005       7.29552002       0.36310298       0.13767420      -0.87782007       0.78577708
Li       5.55020994       4.80345001       6.99393001       0.11376145      -0.55422644       0.02013165
Li      10.89449998       1.28055997      10.01029995      -0.21137158      -0.15009794       0.18000412
Li      11.43950005       3.46347996       6.63043999       0.46635522      -0.15851384      -0.61023065
Li       7.30279996       2.36620001       9.20447995      -1.69439574      -1.75927619      -0.58165832
Li       7.74638001       8.15564002       6.77027004      -1.00746535       2.60353466      -1.07766684
Li       2.77973998       9.07260003       4.01597996       0.39730927       1.29366037       1.01208444
Li       5.90351005       6.79669005       2.85837004       0.10345271      -0.26310465       0.16532588
Li       2.10369001       4.64814994       8.69812001      -0.16015392      -0.54109642      -0.16861927
Li       8.07632004      10.87290002       0.65927097       0.34220971      -0.62448253       0.64604204
Li       9.22212004       9.87949000       4.44095005       0.07983497       0.17739256       0.04667742
Li       6.17836995       0.37863605       5.88251999      -0.09473377       0.32092174      -0.23018050
Li       4.33800999       7.82780999       7.15030004      -2.20284731      -0.90210804      -0.76707244
Li       8.55009001       5.19759001       5.52723002      -0.15943192       0.36750634      -0.36355708
Li      10.87180002       9.00298995       8.94590002       0.77538162      -1.25438372      -0.74032913
Li       9.75134995       5.43632000       8.89621004      -1.20378113       0.54553549       0.84082191
Li       4.91788004       5.50270002       0.07611319       0.48492072      -4.32305384      -0.67172537
Li       3.21246004       1.71671002       4.44208994       0.33614419       0.76861683      -0.34937615
Li       8.87715996       3.41999996       0.28210796       0.48253870      -0.50989805       2.38587924
Li       5.19082001       1.68342005       1.50885002      -0.38965925       1.22127446      -2.42455994
Li       1.95943004       3.84910005       1.09093998      -0.52189090       0.16390546      -0.28692396
Li       7.91173001       2.25814000       3.52281999      -0.98542723       0.09478790      -0.22692298
Li       3.12520001       1.77544004       9.81024001      -0.37578627      -0.33073631       0.03968639
Li       0.71159600      10.46390002       1.21555005      -0.19019551      -0.36333529       0.41431419
Li       3.00434002       5.45402005       4.59317998      -0.22331949      -1.77231628      -0.12508748
Li      11.35409999       1.84056999       3.02159995      -0.26186595      -0.37873360       0.67431499
Li       1.88919000      10.38869996       6.88797002      -0.97588807       0.24732536       0.37718127
Li       2.23663003       7.44237000      11.26800004       0.25087089       0.94664538      -0.03779758
Li       0.33604602       6.83349005       2.45013001      -0.34316622       0.53724830       1.61833974
Li       7.58530997       9.84040998       9.06970002       0.17399030       0.75035827      -1.55675017
Li       0.70442097       7.14643004       6.34723994      -0.16452704      -0.35157447      -0.20198749
Li       5.04745002       9.35494003      10.66209999      -0.08888054      -0.10711534       0.16440372
Cl       8.49601002       6.55833001       7.15861004       1.79424940      -3.80043079       1.17970971
Cl      11.01300005       7.40627999      10.45669999      -1.29327857       0.65480332      -0.98334768
Cl       2.89131001       2.22037999       2.17205002      -0.25311030       0.24723113       0.48103667
Cl       2.07321004       8.27303000       2.35420001       0.33874968      -0.38245070      -1.40088575
Cl       7.23128004       1.01921004      11.17279997      -1.33598251       0.73283825      -1.35119346
Cl       1.01874998       6.04253004       0.76345800       1.15517098      -3.50684379      -0.27739880
Cl       4.37911998       3.22711998      10.77794310       0.36260346       0.48283708       0.45947882
Cl      10.01239998      10.73120002       9.34734001      -0.20384180       2.88708303       1.18696174
Cl       1.08385001       2.50077002       9.24169999       0.22275949      -0.45474967       0.24245182
Cl      11.36823579       2.65153001       1.12606997      -0.79425460       0.20854344      -1.16206152
Cl      10.19190000       9.71155996       6.64648001       1.27820741      -1.03319008      -1.07084585
Cl       2.47620998       2.99348999       6.34642002       0.07881562       0.28743747      -0.45643200
Cl       2.97616999       7.32419998       5.25932998       0.39270067       0.95073779       0.08657254
Cl       8.59384997       3.62433000       9.84533997       1.79315856       2.18183301      -1.64559239
Cl       7.14833002       8.52410003       2.56904004       0.50666029       0.14488280       0.30985278
Cl       2.88739003      11.34311813       5.39284998       0.43217370      -0.99331337      -0.43395369
Cl       6.91607998       2.35974998       7.02268999      -0.90729940      -0.03377874       0.16810608
Cl       5.99135005       8.33942997       8.00076000      -0.30040776      -0.63573651       3.18839161
Cl       0.04057530       5.13132005       8.02067999       1.09464865       0.66707779      -0.73153624
Cl       1.99879999       8.46533000       7.65497003      -0.25209552       0.12200494       1.90324322
Cl       5.35920999       0.76912502       3.15742003       0.92194475      -1.27765137       3.15262519
Cl       8.53584003       0.69433401       2.33423003       1.34576815      -0.38008718       0.77010403
Cl       4.81804003       7.31163995       0.16312604      -0.52738584       3.62616075       0.30016999
Cl       7.71173002       4.92717997       1.45123994      -0.38858481       0.54103216       0.07934285
Cl       0.32664497       5.12518999       4.71922997       0.18737448       0.64506053      -0.55594851
Cl       7.32337994      10.13009996       6.65171001       0.10871751       3.28283281      -1.72817550
Cl       5.45966999       5.37741000       4.82801005       0.38804448      -0.06267492      -0.58607571
Cl      11.16820004       9.92572005       3.17655999      -0.58592044       0.50734722       0.07421184
Cl       3.99877001       5.60467995       8.34641997       0.28055967       0.39437546       0.18825319
Cl       8.08582003       9.09262996      10.86799995      -0.92681907      -0.54575111       0.69856088
Cl       8.99651997       3.28869005       4.93080005       1.28167917      -0.48482509       0.11249543
Cl       2.49233002      10.55380003       0.04721988       0.91533774       0.21052427      -1.14866004
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.01338289 stress="-0.015345051064172914 -0.00020453101471195804 0.004234854979104686 -0.00020453101471195804 -0.012505092846752393 -0.0005670348188868043 0.004234854979104686 -0.0005670348188868043 -0.014978873507726571" free_energy=-225.01338289 pbc="T T T" config_type=melt 
Li      10.29909996       9.32285999       2.87167995       0.58218270       0.01920549       0.02011446
Li      11.37061761       7.39944005      11.06819999      -0.52070350       0.36924317       1.08171297
Li       5.48032002       6.01993005       9.78688005      -0.86737166       0.18964402      -0.54974424
Li       6.84143995       2.91026998      10.64069997      -0.14967483      -0.48102678       0.13099187
Li       6.81750999       8.71483000       4.06256002      -2.08415236      -1.13683607       0.01082683
Li       2.92779004       2.44374005       9.51009003       0.13350271      -0.39743806       0.70003709
Li       1.73536997      11.46260000       6.83860999      -0.42957286      -0.21424048       0.11322673
Li       0.62579905       0.17287194       1.13964998       0.05133668      -1.07580173      -0.29396584
Li       5.30843997       5.91593997       3.26401995      -0.11201718      -0.04028828      -0.53988379
Li       2.69797995       9.68421994      10.38789998      -0.26853270       0.01751417      -0.29800305
Li       0.97472794       7.67054001       7.49948000      -0.96789474      -0.23739703      -1.22502296
Li       9.96121002       5.73010995       9.04170001      -0.18510740      -0.14892935      -0.10392551
Li       7.84986004       8.03851004       7.51105995       0.44293330      -0.23081523       0.08997858
Li       9.23575003       4.39440003       1.87790995       0.04364750       0.01322666      -0.42782847
Li       1.64722995       4.76244996       0.10135604       0.04494334      -0.00202582      -0.08046701
Li       7.88970999       6.96497995       0.58637500       1.24973597       0.09085953      -4.28232897
Li       6.45286001      10.96549999       8.89165998       0.06886427       1.01924929      -1.20303310
Li       0.62285503       1.49580997       3.95047994       0.00194778      -0.58944909      -0.14854335
Li       5.37103001      10.53130001       1.35877995      -0.85858032       0.57109716       0.02976307
Li       2.36501999       8.99377003       3.37302003       0.25416581      -0.25029048      -0.10337566
Li       9.97942000       3.59121004       5.01577994      -1.71951105      -1.79134316       1.70293734
Li       6.67664001       2.47660997       3.63717997      -0.95201339      -0.07479012      -1.01142668
Li      10.31939999      10.29329995       9.02627001       0.14316910       0.47296509       0.07046463
Li       8.49954996      11.43670001       0.07901996      -0.30529786       0.57939344      -0.29203855
Li       2.38607999       4.84452997       6.99335003       0.14279845       0.13137834       0.05675619
Li       6.89264997       4.49697002       6.53966995      -1.20906689       1.09458645      -0.24705415
Li       3.34181999       2.97046995       1.90428995       1.26838273      -0.58558646      -0.06006079
Li      10.56059996       2.37781998       9.87514996       0.00806956      -0.73542329      -0.14597947
Li       8.52288998      11.05189996       5.56523996       0.55940505       1.81041050       0.81612376
Li       4.09558999       7.86369995       6.03583994       0.03811764      -0.97339655       1.57279712
Li       5.10280002       1.89837003       6.68719001      -0.83076569      -1.37360274       2.11765663
Li       1.27541996       5.99294004       3.49414003       0.57642266       0.64823880      -0.49044660
Cl       3.40939000       4.45987001      10.24659998       0.39944948       0.61317272       0.08223791
Cl      11.12079994       0.44410798       5.82044997       0.03297849       0.61331349       0.77775688
Cl       1.05339996      10.69639997       3.45748999      -0.55380800       1.05879543       0.03973912
Cl       3.32013003       5.05981000       2.25810996      -0.26312188       0.89020708       0.30749133
Cl      10.99130001       4.89974997       4.02260001       0.32384425       0.63215102      -1.19983015
Cl      10.29190005       8.16788995       8.28023003      -1.80631205       0.08261868      -0.62106122
Cl       8.21403998       2.41598995       0.91522696       1.15016837      -0.05447449      -0.19033921
Cl       0.60221095       8.09648995       2.00430995      -0.43052396      -2.22473388       0.19206791
Cl       5.40655002       1.68643997       1.81190998      -0.87176634      -0.28202559       0.40899405
Cl       7.16562996       5.00934000      10.47730004      -0.51060837       0.57098915      -0.17686364
Cl       5.76309005       7.60472003       7.96674995      -0.56143179      -0.58501791       1.31541454
Cl       7.44333002       6.79995003       2.32263999      -1.57150959      -0.36598975       4.39385262
Cl       2.86163002       9.70283003       1.15850998       1.71401940       0.49791481      -1.02518492
Cl       9.20476999       0.80694500       8.94564998      -0.43983750      -0.13810823       0.57778980
Cl       2.36746005       9.10697006       7.58302995       1.41967172       2.75713101       0.41592366
Cl       2.43325997       2.61467005       7.46035998      -0.19333301      -0.20028878      -1.49124326
Cl       2.07292000       7.10255005       5.34725000      -0.72098131      -1.31266382       0.06959559
Cl       0.95674897       0.55541502      10.08279995       0.27546510      -0.42639016      -0.07957190
Cl       4.38967995       9.22869996       4.64870997       1.02831133       1.78438973      -1.94035917
Cl       8.64809998       4.11941001       7.30784997       2.18452515       0.10455738       0.52441983
Cl       8.57648996       9.51384997       4.29936000       1.73390542      -0.59138288      -1.02404547
Cl       9.92512001       9.87544998       0.70869302      -0.24156906       0.37827153      -0.63660086
Cl       9.74988000       5.76306001      11.38628573      -1.79975163       3.41373269       2.78716494
Cl       5.33022004       2.00709004       9.18923005       0.11480659      -0.73858213      -0.76303397
Cl       6.26118997      10.47979994      10.78080000       0.18692235      -0.79004745       2.00673718
Cl       1.52011000       2.04500000       1.57256997      -0.81943552       0.74584480       0.47103720
Cl       5.51286998       6.12545003       5.37108997       0.32748585       0.36345769      -0.16353904
Cl      11.28880002       4.32697000      10.24610002       2.97790474      -3.02403443      -2.02865353
Cl       8.45490003       1.72367996       4.21170996       1.50981549      -0.21278142       0.51462167
Cl       5.68662995       3.21059996       5.42905004      -0.35566392       0.17415381      -1.68567472
Cl       7.35650999      10.09970001       7.16969003      -0.10613539       0.73347073      -0.42761648
Cl       1.15120002       7.05422994       9.42283000       1.71715277      -1.15598218       1.55851420
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.37184708 stress="-0.015518028716200827 -0.002337541536544184 0.00025179461163187135 -0.002337541536544184 -0.014889991765132615 -0.0011278240342177386 0.00025179461163187135 -0.0011278240342177386 -0.009906830117190537" free_energy=-225.37184708 pbc="T T T" config_type=melt 
Li       2.83886999       5.92460995       4.23524005      -4.09709625      -1.70359066      -0.94827003
Li       0.72233998       9.23502996       6.29819999       0.25668344      -0.46104981      -0.11753768
Li       6.88323998       6.01947996       9.70238005      -0.04159998       0.80144842       1.71915822
Li       5.18005001       4.12345002       6.90504997      -0.33871568       0.43961086      -0.75493023
Li      10.39070001       7.40389003       4.37476000       0.56308521      -1.31968619       0.73673107
Li       2.77872000       4.49720997      10.46500001      -0.21949090      -0.08096607      -0.70317013
Li      10.82040003       1.62099005       7.98344997      -0.18762144       0.32844403      -0.57356894
Li       1.69886003       1.93299995       5.16787999       0.12940772      -0.20808866      -0.66663602
Li       5.41428004       8.32266002       0.33487598       0.16228161      -0.19932991       1.05160873
Li       5.31052005       4.83027001       2.92226001      -0.07028499       0.07591581       0.13192341
Li       3.91093001       7.21397999       7.30996995       2.24450362      -2.68493706       0.84770927
Li       9.31024000       6.11879995       7.56746994      -0.45762234       0.25313631      -0.80875450
Li       5.58880995      10.19679995       8.65212004       0.04688244       0.08977403      -0.63150652
Li       9.82475998       4.22849000       3.21841000       0.18857749      -0.18857619      -0.75290022
Li       9.87285000       6.26268996      11.26370001       0.10676030      -0.16048077      -0.07644902
Li      10.10459996       9.18005003       9.70263995      -0.27094994       0.88123361       0.14064157
Li       4.64486004       1.34250996       0.14810302      -1.39053354       0.47064651      -0.66202580
Li      10.01789997      11.17450000       4.74129000      -0.04585236       0.06938122       0.41285184
Li       3.50460004      10.23609996       5.24186002       0.37889524       0.16517458       0.06550768
Li       0.64032601       9.72595004       1.74810003      -0.09433956      -0.74486089       0.40782713
Li       8.73259998       3.35736005       5.82905999      -0.24077611      -0.65563924      -0.51246735
Li       8.62653005      11.23090002      11.32710000      -0.59889528      -0.24072215      -0.29202151
Li       8.05007005       2.45074999      11.04159999      -0.10160410       0.05675190      -0.04120531
Li       0.64173005       1.49326994      11.13760004      -0.18550686      -0.13141949      -0.31601303
Li       2.45155995       9.95849998       9.04324998      -0.64165427      -1.09479280      -0.67666383
Li       5.61777995       1.51360001       4.70941999       2.39122637       0.23987949      -1.37494400
Li       3.39769001       1.36917003       8.11132003       0.21358185       0.61830557      -0.65591885
Li       0.88189204       5.15344004       7.16952999       0.33246159      -0.81372646       0.45882155
Li       6.96160005       1.55298004       7.92156005       0.57006107      -0.18620255      -0.50283318
Li       8.26089002       8.39849004       1.72889002       1.77883646      -0.05344703       0.34025272
Li       6.46083995       7.87682001       5.17413994      -0.05171626       0.22857183      -0.05551348
Li       1.92164997       4.83599997       1.58738996       0.26242304       0.15205827       0.09653256
Cl       0.02468454       4.91506005       0.46173202       0.65282753      -1.01207198      -0.87013276
Cl       0.08395785       6.80594001       6.14349997       0.74876103       0.22120795      -0.29792598
Cl       0.45966799      11.30050001       7.11875997      -0.28772113      -0.62129864       0.18339769
Cl       1.75860004       2.68028001       7.12209000      -0.68240080       0.85353339       1.19337924
Cl       2.56594996       2.51269001       0.27496904      -0.20336458       0.28009817       0.38103838
Cl       4.44352000       6.62976004       4.59830004       4.25069851       1.84394564       0.98882199
Cl       9.88784000       8.96024997       3.29770005      -0.64552808       2.75706619      -1.43390227
Cl       6.42944995       0.65258305       0.72085398       1.56587546       0.09160615       1.62467713
Cl       4.00308998       1.12197000       5.56250997      -2.61924838      -1.29288127       1.51976447
Cl       6.61548002       5.48854003       7.85093000      -0.12878919       0.71653203      -1.54391364
Cl       3.24394003       0.15994505       9.89733002       0.75875042       0.09102770       0.34688672
Cl       6.62117995       3.41563998       4.77571001       0.69034020       0.85576545      -0.15831804
Cl       6.45910999       8.55207001       2.38158003      -2.32405731       0.07931772       0.86476766
Cl       8.54542004       4.35711005       0.81138695      -0.90349824      -0.07378096       0.28034844
Cl       2.99718000       8.73491003       6.85591005      -3.25157664       2.89432534       0.31737051
Cl       8.58442003       7.38256005       5.83468001      -0.68660514      -0.01610852      -0.48524989
Cl       9.38048003       4.00582995       7.68858995       1.10535029      -0.57908911       0.99416338
Cl       5.59363996       9.78971001       6.24635004       1.26856949       0.23341679      -0.16146765
Cl       4.13348001       5.53188005       0.28253695       0.54497785       0.44556401       0.84579620
Cl      10.86099998       2.65393005       4.54375002      -0.12488162       0.27199784      -0.60578448
Cl       7.10728996       0.05461996       9.45465003       0.26975632      -0.72433646      -0.53672263
Cl      10.10030006       7.25961997       9.11883994       1.41877863      -1.35853405      -0.71075058
Cl       5.19292004       8.41113996       9.75767996      -0.43470853      -0.57575597      -0.64930415
Cl       0.14899001      10.38829997      10.77444214       0.85277471      -0.57419512       1.15674332
Cl       0.74963701       6.98387996       2.43821999       0.71750293       0.08136052       0.82314935
Cl       3.61412003       3.59492000       3.73802001      -1.20221997       0.49599148      -0.65133717
Cl       5.37147998       2.82325999       8.53892002      -0.79788580      -0.92619018       0.97743680
Cl       8.58553000       1.07724005       6.34307004       0.01882671      -0.61321379      -0.27277513
Cl       2.98640002       5.43231003       8.07580002      -0.13950366      -0.22177041       0.45762440
Cl       8.44978994       8.11189003      11.14630005      -0.81832152       0.70770053       0.41756494
Cl       1.50534000      10.01249995       4.22733004      -0.31487499       0.46967421      -0.96801291
Cl       9.87365995       1.15296999       9.99369005       0.10998792       1.25627882       0.68643053
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.92190299 stress="-0.013659790091726697 -0.0004181671679027911 0.0029609122729747925 -0.0004181671679027911 -0.01780454909256906 0.0011739364159869285 0.0029609122729747925 0.0011739364159869285 -0.023694046927887867" free_energy=-221.92190299 pbc="T T T" config_type=melt 
Li       4.84288003       4.93082000       0.22872397       0.03672787      -0.53964612      -1.22642806
Li      11.22049997       2.18489999       3.16002001      -0.83474304      -0.29444235       0.14031601
Li       2.79943000       9.75323996       9.89953999       0.42508081      -0.00517108       0.07808161
Li       7.67517995       2.42717003       5.66379998       0.96432603      -0.35769225      -0.11818819
Li       5.40119998       7.71349002       2.70719998       0.55659180      -0.65469965      -0.63885035
Li       8.21810005       0.59376900       1.96221999       0.43973056       0.32971982      -0.03798338
Li       1.87047995       7.96830004       4.82665005      -0.05594454      -0.28891314      -0.07883496
Li       8.87072999       3.28328005      11.24389994       0.27706486       0.52337348      -0.30911798
Li       9.88287998      11.01249998      10.62130000      -1.27444758       1.72433014      -2.48600307
Li       9.73845000       8.80834998       7.30035004      -0.35971893       0.56714760      -0.03326785
Li       3.14705999       1.72331001       1.34499003      -1.90762907      -0.91505416       0.87111707
Li       3.80348999       2.42827003       9.89311002       0.37860537       0.54632047      -0.15458518
Li       3.01814003      10.89529996       7.19586998      -0.68349828       0.13408540      -0.08616729
Li       0.99471202       5.02904996       2.29939994       0.66664294       1.11028134      -0.66132722
Li       4.97430997       4.31895005       7.68128995      -0.45562754       0.55274139      -0.50287151
Li       8.92146000       6.23243997       5.27334001       0.43139386       0.07666245       0.28614067
Li       6.52500003      11.45230003       8.34767003      -3.52647051       3.28966939      -3.57654171
Li       0.93725098       4.30071003      10.86040005       0.63315214      -1.39264165      -0.01985873
Li      10.22589996      10.95929999       5.17700005       0.68125993       0.89494756       0.40891049
Li       0.62815198      10.63999996       1.42911996       1.44166456      -0.29978537      -0.70572247
Li       8.62363005       7.76076997      11.18020004       0.02507296       0.31430271      -0.04695471
Li       4.34298995       4.05869002       4.14236001      -0.27826970       0.17015388       0.61097890
Li       5.25258004      10.64630004       0.73974700       4.03599992      -1.03394867      -0.10079839
Li      10.02229996       8.30780002       2.84224003      -0.21067779       0.24099981      -0.32806166
Li      10.80590001       1.40356000       7.52604996       0.14933040       2.10609628       0.11787266
Li       6.41152005       8.55217995       5.74846999      -0.14100817       0.18721448       0.07146946
Li      10.36630001       6.53129002       8.92791004       0.32703711      -0.68802977       0.19396243
Li       2.45272999       6.53691004       7.71323998       0.21913981      -0.34649218       0.50105259
Li       0.76320498       3.74882005       5.55543995      -0.17262840      -0.98081127       1.17553545
Li       4.89309999      10.72240004       4.17141004       0.74988398       0.97385632       0.17503917
Li       5.73866998       7.82106005       9.31556997       0.03822042       0.04092828      -0.65552012
Li       8.08504000       4.83448004       2.72798002       0.50042113      -1.11097390      -0.66621833
Cl       4.27562000       4.94110002       2.24895000      -0.38331278       1.38588853       0.57357439
Cl      10.36419999       9.79794996       0.52397997       0.05648618      -3.06799850       0.36876931
Cl       3.28650002       0.46026505       9.11056995      -0.14576953       0.03044393       0.24443374
Cl       0.69532796       6.23185002      10.55249999      -0.33928396       3.17472706       0.46439236
Cl       7.94929994       7.40153997       9.03840002       1.49218094      -0.64097038      -0.13706085
Cl       3.49454002      11.08480004       0.63338095      -5.18570735       0.88163730       1.05495245
Cl       9.98002004       2.40530994       5.16044001      -1.45358981      -1.32128037       1.78868266
Cl       5.82373999       3.36182000       5.56921004      -0.37068362       0.03807483       0.25007766
Cl       8.00376995       6.67293005       1.54684998       1.28861733       1.04575332      -3.59162386
Cl       8.53026002       9.67016004       5.25083002      -0.47958048      -1.23426388       0.01112887
Cl       9.96341999      11.13599997       7.77913999      -1.12471526      -2.04517450       0.75203312
Cl       8.86519997       2.80321997       2.15662999      -0.12490548       1.27410924       1.06762234
Cl       4.67359996       2.47791999       0.53457606       2.23401496       0.85195685      -0.73303430
Cl       7.19536005       6.26096000       3.86543000      -1.42731474       0.47066311       4.51727169
Cl       3.19001997       4.81792000       9.27898997      -0.54993071       0.01471383       0.40645768
Cl       1.26172003       2.90611005       1.77422001       0.85681071      -0.77291124      -1.61181477
Cl       7.46936998      10.49920002       9.41285000       2.58762915      -3.56206448       4.07042403
Cl       0.98708403       0.62716800       6.60011995       1.93469214      -0.01529761      -1.45199908
Cl       4.72392998       8.65296003      11.02709997       0.10282859      -0.83452937       0.25115874
Cl      11.09419994       7.11902995       6.48685000      -0.81131083      -0.06398533       0.14691737
Cl      11.37330002       4.34662998       3.86178998      -1.12954028       1.88921958      -0.26457158
Cl       2.41824005       8.75650002       7.81861002      -0.44661807       0.23714071      -0.04693733
Cl      10.73450002       3.94861001       9.54992003      -1.47841630      -1.30769766      -0.71309404
Cl       0.58816400       7.35634995       2.76714005       0.29619484       0.51681888       0.35820865
Cl       5.23325997       7.23244000       7.08129000       0.08533968      -0.48295199       0.13238946
Cl       2.35471005       4.89965997       6.16589005       1.12136979       0.36774810      -0.50554105
Cl      10.88420001      11.13519999       2.94939000      -0.42593381       1.02672555       2.20690827
Cl       4.17419998       8.80635003       4.04822004      -1.03421196      -0.81599308       0.30151341
Cl       5.85263995       3.64169999       9.45211000       1.85740309      -0.45459680       0.23568915
Cl       6.87786999      10.48900003       2.51419997      -0.99076532      -0.32862863       0.10253348
Cl       8.61402997       1.21223997      11.37378553       0.01720218      -1.13400793      -1.43040234
Cl       5.08579001      11.08040005       6.54647996       0.89413777       0.00220171      -1.01623494
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.46502834 stress="-0.019642879000622105 -0.002249932955706253 1.6096970624326315e-05 -0.002249932955706253 -0.011859055764097192 0.00047434779669954354 1.6096970624326315e-05 0.00047434779669954354 -0.012339852799829345" free_energy=-223.46502834 pbc="T T T" config_type=melt 
Li       0.92636496       9.09706996       1.30851997       0.14614567      -0.03885340       0.17564984
Li       8.39222000       6.46095001      10.30870003      -0.17572187      -0.03389523       0.03690084
Li       8.22305996       8.76676995       6.87429004       0.32900722      -1.18893616       0.94594518
Li       2.86634998      10.85430002       9.54399002       2.20526922      -0.20509585      -0.78933616
Li      10.19199997       6.28888997       6.62952996       0.02790006      -0.36243899      -0.45678897
Li       7.08360005       4.60636998       6.80537000       0.53978460       1.63874033       0.81925662
Li       6.99235000       1.01869002       6.00131997       0.28638636      -0.83577893       0.05407747
Li       0.87565604       4.85195997       0.69317004       0.12346906      -0.83311387      -0.48502835
Li       1.15159003       1.31761998       0.17940303       0.48839248       0.29622588       0.32811698
Li       5.51770000       7.17032997       4.91785000       0.36998558       0.14608022      -0.49501205
Li       2.90380000      10.33249999       4.58016000       0.13620168       0.14287391      -1.49075458
Li       4.65608999       9.29145004       7.59883002      -0.06091803       0.97725895      -0.02717572
Li       4.44400998       6.27586001       9.06327005       0.39108251      -2.25446641      -0.78092296
Li       8.27175002       2.31815998       3.43453002       0.25106536       0.43736088      -0.06659579
Li      11.46400850      11.04360005       7.12075005       2.70295300       4.00208403       1.84579941
Li       9.10351999       9.47105003       0.30020696      -0.12261374       0.74496279       1.06330717
Li      10.24839998       5.09590001       2.69297005      -0.25232845       1.66769471      -0.40968093
Li       5.32318005       4.16601999       0.62250296      -0.20348269       0.11386891       0.50908004
Li       5.45215997       0.14894095       1.59586998      -1.62618685      -1.12443705       1.00494875
Li       2.60519999       5.97004002       3.40540995      -3.67459225       0.80984792      -2.39970326
Li       2.49949004       5.61289995       6.67300996      -0.14729358       0.02031169       0.04065273
Li       7.91477996       8.11775000       3.31882998      -0.54828708      -0.03484654      -0.22831996
Li       9.52751000       3.35141995      10.14660004      -2.05631094       1.04700292      -0.29796532
Li       5.15927994       8.27361996       0.64699295      -0.31332663       0.03544029      -0.68994195
Li       3.87800999       1.51066000       6.82767995      -0.07121317      -0.05464618       0.09851984
Li      10.17489996      10.04379996       4.23988996       0.23623214       0.73577448       0.46445628
Li       0.20694504       7.80594004       9.50592001      -0.06590103       0.10409877       0.10733883
Li       7.06474005       0.99312697      10.20710003      -0.94257315      -0.44532203       0.61822677
Li      10.08339999       2.25032996       7.27889005      -0.49126504       0.35196073       0.29698690
Li       1.08451998       3.86217002       9.26769995       1.33516505       0.47349388      -1.16863844
Li       5.07550999       3.39545001       4.23014005      -0.67257482       0.59370798      -1.23282045
Li       0.65225701       1.92942997       4.86371005      -0.46472697       0.00494046      -0.22477591
Cl       1.20381006      10.84929999      10.49799994      -3.02018741      -0.61191286       0.90770290
Cl      11.34120004       2.70384003      10.34059996       1.17133742      -1.95600531       1.45093115
Cl      10.64160003       9.66055996       6.40934997      -2.22256233      -4.86263124      -1.35504326
Cl       0.22504600       6.11656006       4.44281001      -0.19384022       0.27233831       1.37036084
Cl       9.57736999       1.24137002       5.45663001      -0.43350920      -0.49462824      -0.27632369
Cl      10.54950001       3.28929995       3.43356003       0.19369766      -1.61438650      -0.24634296
Cl       4.00836997       5.63880005       4.46516995       2.68234090      -1.64679777       3.35790757
Cl       5.61700004       5.86322996      10.60370003       1.37737840      -0.17191171       1.52817336
Cl       4.70383000       0.22805697       8.63930997       1.07338251       0.34757103      -0.32867519
Cl       7.51706999      10.07989994       5.59302995      -0.80286676       1.57836742      -1.77517804
Cl       6.82418999       4.90781004       2.82408003       0.02362322      -0.80960430      -0.67314068
Cl       4.75734996       1.13835005       4.47534002      -0.66601247      -0.85211521      -0.40721922
Cl       6.46402003       3.11727005       5.67285997       1.01550518      -0.58459667       0.72415111
Cl       2.89931999       3.25283001       0.92711496      -0.13169908       0.10601975      -0.08645197
Cl       0.67672201       2.84664999       7.18086003      -0.03254883      -0.65166412      -0.93586769
Cl      10.16099998       5.45407003      11.44155559      -0.36980207      -0.10136854       0.64807409
Cl       1.01389004      11.31879998       3.57846004       0.18274336       0.13247582      -0.13978293
Cl       7.17775000       8.97531002       1.01655996       1.02686543       0.36825365      -0.65300102
Cl       1.38817998       6.59166997       1.72626000       0.38291811       1.48737376      -0.90232866
Cl       7.06224004       1.10307996       1.17081001       2.27227305       1.68960815      -0.62032926
Cl       1.07044001       5.94521997       8.72419001      -1.40079997       0.99666149      -0.29387924
Cl       4.03171996      10.85409997       0.25559601      -0.13727512      -0.71759525       0.10720184
Cl       9.51657996       8.55036997      10.04540003       0.57891632      -0.65940713      -1.91605410
Cl       3.50360001       7.83942995       8.62589997      -2.69207857       2.76723768       0.27423081
Cl       8.60125005       4.97214999       8.40337004       0.52300494       0.02630787       0.22960085
Cl       8.46528002       1.52555003       8.77523999       0.39315884       0.10320559      -0.25819462
Cl       7.80692000       6.60432000       5.65729996       3.02205378      -0.94157803      -1.89913385
Cl       3.25463001       4.08368995       8.15858003       1.66589411      -0.46505289      -0.13117821
Cl       5.21372003       8.14056002       2.75325004      -1.22307923      -0.12689644       2.13120712
Cl       2.56710006      10.86279999       6.48402004      -0.57500048       0.14765501       1.66480465
Cl       5.93782001       7.70673997       6.99341996      -1.22728321       0.78991149       1.59522971
Cl      10.27930000       9.34671005       2.20432002      -0.13627197      -0.47673390      -0.25725429
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.25713119 stress="-0.020019909792457262 2.9714289537085222e-05 0.0010675917048058826 2.9714289537085222e-05 -0.023050475859246796 -0.0004244058059344765 0.0010675917048058826 -0.0004244058059344765 -0.021401820064556022" free_energy=-223.25713119 pbc="T T T" config_type=melt 
Li       2.90006998       7.44030998       4.47895001       0.54927052       0.24728803      -0.55423398
Li       4.03866995       4.16158996       7.07794002       1.42218303       0.94058968       0.19745162
Li       5.54222003       5.52530001       9.84090994      -0.03848005       0.32239137       0.22870671
Li       3.19912994       3.82405003       2.42327997       0.95536333       0.84107945       0.90993143
Li       5.43641000       9.91844998       6.63477005      -0.25044242       0.01563642      -0.17028578
Li       6.10361998       1.49030998       4.61312003      -0.48161816       0.26348780       0.01367433
Li       9.22823004       6.24153997       2.26030996       0.01075036       0.03932066      -1.50287362
Li       7.09030998       8.28032003       9.19742001      -0.05980383       0.10603823      -0.02941479
Li       7.89256001       3.77543002       1.12299995      -0.52705045       0.27843867      -0.50340965
Li       3.64557996       8.89080005       9.64735002       0.21684357      -0.05412811       0.16552819
Li       9.19581995       6.07287003       8.18743998      -0.33314726      -2.05064316      -0.43388716
Li       5.69527000       9.66463999       1.57291000       0.19973879      -0.19819131      -0.07274016
Li       9.48820002       1.18482005       1.53946996      -0.09948466       0.15511117       1.14721578
Li       0.39736903       4.60434000      11.30079911      -0.36884791      -0.17273588      -0.23519210
Li       0.16433002      10.46229995       5.60826002      -0.04617432      -0.60776851      -0.50318972
Li       8.45964005       3.59099004       9.55511002       1.02775423      -1.07372793       0.86310580
Li       7.81883002      10.60550004       3.72901000       0.04720205      -0.79044417      -0.27937306
Li      11.08359996       0.24529398      10.55890003       0.67799822       0.10184722      -0.14991656
Li       9.55372995       2.51782004       4.70140004       0.80066642       0.84263449       0.57949965
Li       3.20527996      10.65320004       3.95930996      -0.08033019       0.09615916       0.05182866
Li       1.86826001       9.71233999       1.44476996       1.27990305      -0.32304890       0.84651601
Li      10.95630002       5.76161998       5.37065994       1.11294761       1.34200358      -0.71996027
Li      10.51329994       8.02029995      10.84429996      -0.24597689      -0.45638993      -0.16255784
Li       5.35746995       6.21349994       1.38367005      -1.46455107       3.28958629       1.58993716
Li      11.35940004       2.98887998       8.42888999       1.13996123       0.89070690      -0.89461415
Li       7.59264997       6.82717999       4.89829996      -3.59798976       1.42334549       1.18799992
Li       1.17908997       6.97977999       7.98053002       0.52862784      -0.00989843      -0.03864426
Li       6.28008001       0.72364898       9.58427997       1.36544149      -0.09500512       2.43561639
Li       2.88915003       2.01243996       8.69271001      -0.76588441      -0.26441538       0.31050275
Li       1.74101006       2.25985999       5.13877000       2.08802851       1.58930278      -1.13680402
Li       8.48221001       9.69128997       7.11920994       0.52837048      -0.04685082       0.41333845
Li       3.19698005       0.80592399       0.79014100      -0.48299485       0.86308699      -0.52860771
Cl       3.91040999       7.10201994       8.34497994      -0.44578261      -0.60827777      -0.48083692
Cl       5.93357994       4.60442002       0.69531696       0.57788384      -3.04203950      -1.72288310
Cl       3.62398000      10.53270003      11.21509995       0.41711584      -0.29124951      -0.22478620
Cl       0.71045405       0.99386103       6.07925999      -2.05946088      -1.13649866       1.14650771
Cl       8.23188000       1.26484004       3.75464998      -1.04952138       0.07320201      -0.98717973
Cl       4.96932003       1.66904006       8.66422002      -1.67710082       2.03213937      -1.06329836
Cl       8.05272002       9.02645997       1.86229996      -0.08743412       0.17760657       0.10659284
Cl       2.26174001       4.63999001       0.83669698      -0.24401863       1.08784449      -0.66184181
Cl       4.45530000       2.94315000       5.45128995       1.34222775      -0.78737206      -1.34284652
Cl      10.06699999       1.70809003       9.31013005       0.47202455      -1.25522471      -3.35625299
Cl       6.94096996      10.76040000       8.42621996       0.79885737      -1.96411778      -0.85385660
Cl       3.04388995       1.78448994       2.63381001      -0.32025237      -1.09344867       1.01250342
Cl       9.37596001       3.57483997       2.48416000       2.02462788       0.73742776       1.35763652
Cl       9.15398002       6.15215997       4.27259996       2.68371262      -0.80296650      -0.32463759
Cl       1.38751999       1.81401998      10.82829995       0.27709308      -0.15562132      -0.26387414
Cl       5.48846998       7.95768996      10.86909995       0.75898169      -0.36479032       0.37187360
Cl       1.00310995       9.81251005       3.45656998      -0.41695294       0.35944640       0.25607617
Cl      10.42839996       4.38100000       6.65703001      -0.95337211      -1.81455169       0.69093860
Cl       7.23178998       7.94712998       6.76624998      -0.99932392      -0.24381844      -0.13390252
Cl       0.06591995       5.66059996       9.27081995       0.76947671      -1.38976861       1.12007760
Cl       2.18950003       3.46694000       7.13259999      -2.28403845       0.30342203       1.19728012
Cl       3.25200997      10.52199996       6.20054003       0.50940462      -0.46548060       0.62240596
Cl       7.34872999       4.80732998       8.43149995      -1.34634296       0.85170699      -0.65685000
Cl       5.58776005      10.91690004       3.72923997       0.71768613       0.92372764       0.62228749
Cl       9.25630996      10.68680001       5.43384005       0.81215325      -0.81358509       0.58105513
Cl       9.13575996       5.88364005       0.01271996       0.21994988       0.34850774       0.04224133
Cl       8.80464002       2.24644001      11.35440001      -2.62565245      -0.01326506       1.66367641
Cl       3.99625005       8.85459000       2.75352003      -1.07893426      -0.91345315      -0.80676535
Cl       1.21428004       7.33873004       5.82904004      -0.69418689      -0.22539097      -0.01906383
Cl       4.39735999       5.92872998       3.60912000       0.24981591      -0.63901751       0.03895393
Cl       0.40200094       9.75264003       0.04303095      -1.53020516      -0.17599581      -1.25858914
Cl       9.94874995       7.82854003       8.47283005       0.07329434       3.79609603       0.30220998
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.82372629 stress="-0.01879654229691778 -0.00824964133067944 0.0005504825988283451 -0.00824964133067944 -0.016357492338712323 -0.004957404562571932 0.0005504825988283451 -0.004957404562571932 -0.01596934539415793" free_energy=-222.82372629 pbc="T T T" config_type=melt 
Li       6.24504001       4.95945995       9.95343999       0.44458925       0.74471233      -0.09750272
Li       1.80442999       7.20068005       2.76837005       0.02935949      -1.36206342      -0.79333107
Li      10.16909995       7.76089000       1.39652999       1.33758927       2.99331655      -0.66244304
Li       0.47022098       4.45951003       3.45898000       0.40284461       0.44671973      -0.09693712
Li       2.69738002       8.72045999       5.59666000       0.97471944       0.23329524      -0.85131236
Li       7.81932997       1.98209997       7.56208001       0.48998067       2.10921229       2.41464766
Li      10.71279997       3.20723003       8.78205000       1.66587312       2.79710248       0.23450488
Li       4.32908000      10.01740001       2.49528001       0.26612942       0.20034341      -0.07817416
Li      11.34289996       6.75454999       6.03916997      -0.21914830       0.25122780       0.07181553
Li       6.18239999       0.63922705       0.26739894       0.16938612       0.00115558      -0.07794675
Li       7.20122001       7.61743001       7.01358001      -0.73449190      -0.03915401      -0.02623052
Li       2.02663996       1.66522004      11.02410000      -0.46399509      -0.19620346       0.09820277
Li       2.05464995       6.05044005       9.17808000      -1.18605127      -0.03908059       0.64584064
Li       3.09209002       4.79453997       6.68759000       0.70632909      -0.61021863       0.33135571
Li       4.47021996       1.43239003       8.23645001       0.00134961      -0.06724689      -0.38263729
Li       1.29391001       9.60065004      10.79289998      -0.76602326      -1.21311902       1.75744894
Li       7.14068002       2.65604005       3.94544999       0.25815280      -0.37943949      -0.10878328
Li       6.99088005       7.08413005       2.24635999       1.12943094       1.62659468      -1.53264977
Li       5.83533003      11.45230003       5.26266998      -2.01466352      -1.76462898      -0.61320598
Li       1.25558997      10.92409995       2.93153003      -0.31882356      -1.26312445      -0.82994676
Li       9.52231003      10.25960001       8.60459005      -0.26013844       0.59522534       0.17711188
Li       9.28558996       9.56495005       4.96786006       0.79272980       1.56972733      -0.91290716
Li       6.99728996       8.66533996      10.84349998      -0.12208676       0.89153127       0.69686564
Li       2.92341000       1.69583999       3.44665006       1.23859399       0.76501858       0.90151930
Li       4.49394999       8.76159005       8.22674997      -0.73987031      -1.02068069      -0.21747833
Li       9.44569998       0.13310602       0.80072402       0.16906208       0.17919714       0.42528266
Li       8.77765999       4.13949004       0.96864500      -0.64238119      -0.88197474      -0.20443811
Li      11.00650004       1.80732003       5.11823002      -0.03404286       0.71367340      -0.09407073
Li       8.61735003       5.03651000       4.82627001      -1.52304912       3.24498305       0.99719250
Li       4.50442995       5.22973998       2.32776005       0.12304776      -0.12239229      -0.57988088
Li       0.78829605      11.30789997       7.65647999      -0.01363290       0.03216518      -0.39717580
Li       9.47602999       6.29165997       9.56238996       0.11159003      -0.50782070      -0.55629512
Cl       3.29340003       2.19821999       5.83154005      -0.10341764       0.21334103       1.07258525
Cl      10.66209999       9.87692005       3.17267004      -1.12892422       0.71679565      -0.42825894
Cl       8.37534997       4.37879003       8.36664995      -1.38650754       0.87886763       0.21222686
Cl       1.85567005      10.86200001       9.50422994       2.05449044       2.02890440      -3.02356952
Cl      11.09819995       5.40752999       7.87347004      -0.03471454       0.85431563       0.80970405
Cl       7.58833000       7.76894997       9.17751000       0.71152157      -0.88372664      -1.30761861
Cl       5.42704999       1.35414999       3.67941002      -0.27290214       0.07492885      -1.20445705
Cl       6.15616995       5.93294001       3.52101999      -0.39133619      -1.67088585       3.51183088
Cl       1.13007995       3.60490997       9.95867997       0.66224788      -0.50647127       0.43397895
Cl       8.96321005       7.79984998       5.87051998       0.19932865      -1.43467751       0.20028038
Cl       8.37128003      10.70849995      10.57750003      -0.64992607      -0.48166653      -0.24286233
Cl       2.42419001       4.97825999       1.84293003      -0.31132289      -0.13222014       0.45550997
Cl       6.45862998       5.80554996       0.60619101      -1.33786837      -0.97077182      -1.70438889
Cl       0.89491901       1.35691001       3.48733002      -1.46325138       1.92423750       0.32949634
Cl       1.25825002       8.27531002       6.95134995      -0.57585136       0.64418912       0.93996856
Cl      10.61219999      11.45485244       5.99023997      -0.14145117      -1.39206407       1.20250515
Cl       7.82679001       1.94023998       1.26608999       0.33360563       0.34827819       0.14634980
Cl       0.02705593      11.22650003       0.12424196      -0.49307797       0.55960754       1.08807998
Cl       2.49431999       9.03428996       3.31117998       0.58155935       0.91975265       0.28936488
Cl       3.19330001       0.63440403       1.63793001       0.51685940      -0.81540137      -1.74220326
Cl       1.22175005       7.53812001      11.10549994      -0.22771202      -0.72917404      -0.11355942
Cl       9.22692999       6.13630006       1.31743999      -1.37756231      -1.93963492      -1.11224654
Cl      11.18790003       7.07786000       2.96336003       1.34789033      -1.71084945       2.74446220
Cl       6.09859003       9.06381002       1.22235995      -0.55389910       0.64297857       1.05380704
Cl       5.30275999      10.59729998       8.44876997       0.42519574       1.33934672       0.49231616
Cl       9.51190001       3.48641001       4.33671005       1.29985543      -2.45173551      -0.97803301
Cl       7.18403001       1.01025002       6.11057994       1.26601638      -0.13498168      -0.89284351
Cl       9.60870003       1.72384000       8.58530003      -0.45564722      -3.79590100       0.30802479
Cl       1.40953003       5.26085003       5.56957002       0.15417487      -0.41564757      -1.84729251
Cl       5.42738004       3.13179002       9.46614996      -0.77835565      -1.61289869      -0.16325306
Cl       5.11260003       9.13496995       5.35855000       0.17159491      -0.09436988       0.27927131
Cl       4.03244003       6.37641000       8.38671004       0.68702820       0.09948047      -0.44761710
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.71351932 stress="-0.00813033560151173 0.0008675632648452637 -0.0026167625126789023 0.0008675632648452637 -0.007477641618573792 0.0037418483469110423 -0.0026167625126789023 0.0037418483469110423 -0.008003226793808426" free_energy=-226.71351932 pbc="T T T" config_type=melt 
Li       0.48144003       5.92881000       9.94522996       0.46185573       0.48780935       0.28858944
Li      11.33220000       1.72978996       0.90169601      -0.86642359      -0.54259319       0.85789852
Li       9.32344994      10.95270000       3.66952999       0.31301053       0.18842059      -0.04075604
Li       3.31077999       4.04211004       0.03802255      -1.18481379       0.01065877       1.12478367
Li       1.59407994       9.91614004       4.56706000      -0.17479992       0.37882000      -0.40685140
Li       4.02424995       0.22144300       2.58298003      -0.08012967       0.43072617      -0.18881563
Li       9.27344997       8.10204004       0.14916404       1.05528479       1.07207798       0.91194510
Li       6.19760002       4.12165999       4.97092996       0.34311460      -0.17463494       0.43212801
Li       0.57966702       9.79401003       0.42402004       0.39394943      -0.02482506       0.06566902
Li       3.84020996       6.03888004       8.58900001       1.11678988      -0.72291947      -0.05783945
Li       6.12348998       9.41465001       5.62999996      -1.85785024      -0.02814226      -1.22547012
Li       2.56070001       0.73717201      10.49950005      -0.30605808       0.33969419      -0.01900430
Li       0.99282798       6.41979003       2.45413001      -0.27838921      -0.48437848       0.70963928
Li       4.00422999       6.39935003       3.95381995      -0.02447853       0.36479549       0.03242451
Li       3.53477999       9.47589002       8.07392997       0.07052718      -0.14675818       0.17442237
Li       3.93831004       7.99473002       0.91674597      -0.54587252       0.31480517      -0.39442827
Li       7.40724998      10.97410003       9.85658001      -0.54884124       0.26193569       0.60869426
Li       1.62092998       6.17902995       6.40393001       0.68309406      -0.66321278       0.19751199
Li       7.69138998       7.12714001       4.01535000      -0.09373474      -0.17799864      -0.05995015
Li      11.19279998       2.29725005       4.53527001      -0.08703269      -0.31997166      -0.03550237
Li       7.00379995       3.02211997       8.64303999       0.32309310      -0.85991907       0.67768331
Li       9.41690996      10.45049999       7.36384002       0.09575461       0.46762749      -0.29058502
Li       6.29179995       5.65957001       0.70810903       0.11375030       0.12400131       0.04659857
Li       9.86464994       5.06671998       7.23845003       0.36985697      -0.60296732      -0.97524070
Li       7.24158999       7.24013001       8.58479996      -0.37952289       0.33753338       0.20298517
Li      11.27780005       1.66324005       8.98609000      -0.57117500       0.65827654      -0.55020507
Li       9.33673005       4.45033998       3.35338997      -1.69205038       0.35965350       1.03261175
Li       6.56141001       9.98453995       1.97057000       0.09785043      -0.55880428      -0.05920166
Li       2.56299000       3.34766001       2.72579997      -0.10961939      -0.17083635       0.48116678
Li       7.27236000       2.16540005       2.19526003      -1.18825417       0.01763422      -1.65367534
Li       2.93104005       2.41605003       7.14801005       0.02715670      -0.05424195      -0.51506582
Li       9.83240001       4.16275003      11.45991598       1.25040230       2.02261744      -0.21824904
Cl       0.70308297       6.53248001       4.64887002      -0.75838851       0.81654383      -0.96068280
Cl       8.55123999       2.17583002       3.68781002       1.13126667      -0.86011885       1.97731788
Cl       7.53589995       9.36506000       6.94103004       1.25755654      -0.95964350       2.36978359
Cl       4.21462005       7.95537005       6.02689998       0.09118495       0.10213808      -0.08537853
Cl       1.33090994       6.96522999       0.50087096      -2.01826517       1.65706299      -2.72142655
Cl       7.57788994       9.50679003       3.95702995       0.44600040       0.25930868      -0.45099050
Cl      10.01550004       9.88120001       1.56332999       0.24731121      -0.11524356       0.19612758
Cl       8.94190999       6.15609004       0.29381001      -1.03053446      -1.01976660       1.05743170
Cl       1.23859004       2.66477996      11.08560002       1.74437194       2.05608876      -0.57565368
Cl       5.49140002       7.86152999       2.48459003       0.71544587      -0.54007366      -0.32923501
Cl       3.75086000       0.24166702       7.29377997      -0.25196934       0.11394333       0.23817191
Cl      10.86380001      11.03720000       5.48515004      -0.06718179      -0.56697970       0.42806840
Cl       5.03592005       7.22765997       9.92521000       0.60491934       0.62693117       0.34975325
Cl       2.82317000       4.15373005       5.57437000       0.49644939      -0.06927967       0.16036925
Cl       6.40220005       4.56484005       7.41589003      -1.20180835       0.51280597      -0.16368586
Cl       8.23358004       0.78139398       8.46259004       0.37640151       1.10950267      -0.52861245
Cl       4.87458002       4.01429999      10.29600002       1.05425230      -0.39674398      -0.76514268
Cl       8.90985999       2.54456002       0.29610504      -1.51462813      -2.59287079      -0.01171981
Cl       3.09970999       9.78190994       2.70103999      -0.76250296      -0.81447258       0.71188866
Cl       3.18784004       5.74852995       1.86369000       1.52065283      -1.97729184       1.36881469
Cl      10.94769997       3.82429995       2.40543995       2.40867054       0.09821422      -0.67331287
Cl       1.21402003       0.88653897       3.19048003       0.00939003       0.84563684      -0.31638523
Cl       2.00855999       6.98624000       8.34293999      -1.25250524       0.39369072       0.58383160
Cl       0.15143695       0.14416997      10.43220002      -0.71669503      -1.32774755      -0.29963225
Cl       7.96615003       9.06519995      10.43419996      -0.74543544      -0.22884113      -0.90751306
Cl       5.92286004       0.43694900       1.24204996       1.38316325      -1.73680863      -1.33510601
Cl       6.97062003       4.94944005       3.01567005      -0.44971572       0.29133245      -0.76556937
Cl      10.08229999       5.03739000       9.25405000       0.21552923      -0.09629626       0.50951346
Cl       4.59669998       2.36092002       2.42620004      -1.36652080       2.25044396       1.10874530
Cl      11.02849999       2.91647995       6.85185995       0.47032338      -0.15514465       0.17804597
Cl       2.93611998      10.20809994      10.99249997       0.53709453      -0.97575019      -0.31153136
Cl       8.51685999       5.26990004       5.62572000       0.69972247       0.99454583      -1.19019665
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.1602276 stress="-0.006179459893164858 0.004553318969513702 0.0014275156872892 0.004553318969513702 -0.007448418105140785 -0.003059852363562838 0.0014275156872892 -0.003059852363562838 -0.011481241288376189" free_energy=-226.1602276 pbc="T T T" config_type=melt 
Li       2.24003996       6.54580001       8.84537995      -0.19627283       0.12042685      -0.41658756
Li       6.78995995       4.02870004       8.36241998       0.11321145       0.21603996      -0.14828958
Li       1.60811005       0.33441603       8.83739003      -0.42888760       0.31258596      -0.22259448
Li       5.12119996       0.25229200       7.30221000       0.11371642      -0.19115128      -0.29820993
Li       7.09298999       4.29134005       1.58736004      -0.38136338       0.50528804       0.29365322
Li       2.26934003       0.01318965       5.06810005       0.45539802       0.79768931       0.14665446
Li       9.63286994       1.89999004       1.71472005       0.06567844      -0.15358856      -0.24164704
Li       3.31882998       4.93767002       4.35683995      -0.19090636       0.63802508      -0.27055095
Li       3.75108998       8.07133996       5.98126000      -0.45522211       0.00153666      -0.02882019
Li       8.12619998       9.91514001       1.44431002      -0.12757205      -4.36824067       1.85921996
Li       5.80307998       7.02335996       1.56621005      -0.96653432       0.59765219       0.58468496
Li       9.87807003       6.09285995       7.20601999       0.92417012      -0.16026823      -0.12665989
Li       9.86854998       5.55739002       3.18301002       0.45732091      -0.53732136      -0.05772510
Li       0.46503603       8.60743996       5.70772996       0.49685093      -0.26115278       0.43508533
Li       8.39728996      10.25169997       5.30737001       0.19160580       0.10761587       0.86786039
Li       2.72615995       6.91422999       1.99484997      -0.42772742       0.22761286       1.37052438
Li       9.47475998       6.74259000      11.30469995       0.60175199      -0.03781099      -0.09928661
Li       8.84332004       0.23241294       9.39908003      -0.94193697       0.00169672       0.75280421
Li       1.48120998       2.91653005       2.51690004      -0.39194732       0.63402578      -0.28283351
Li       1.78883995       0.42668698       1.15722002       0.50475110       0.03273301      -0.84847063
Li       5.90406997       1.25474001       0.18574805      -0.06853237      -0.32036355      -0.17370046
Li       3.16218000       3.09611995       7.50753996       0.73537094       1.30211766       0.15696198
Li       0.22099395       8.83287998       9.95607001       0.72328749       1.41623719       0.31793142
Li      10.97990004       3.99779005      10.35839998      -0.00238672      -0.16594105      -0.23616272
Li       3.67487005       4.48194001      10.79539999       0.04306987       0.57707033       0.41506870
Li       6.95886995       7.58056995       9.54355002      -0.82778177       0.02004867      -0.25866240
Li       6.77956001       6.36229002       5.26975995      -0.72686013       0.26542301      -0.10751215
Li       0.29729905       8.85739004       2.48780002       0.40405379       0.26237870       1.02724071
Li       0.10981989       3.01297996       6.90540995      -0.48422121       0.60689623      -0.22991260
Li       7.78005003       2.83372000       5.21540998       0.27045740       0.20047169       0.12504571
Li       4.10080004       9.49423000      10.08250004       0.95948699      -0.86356104      -0.00017711
Li       5.03507994       9.76446005       3.08742005      -0.35762089       0.42392792       1.95643760
Cl       4.41120999      10.31490003       5.19991004       2.45644807       0.47912996       1.20492533
Cl       8.11947996       0.01046012       0.58521986       0.26530075       5.27383528      -3.50278410
Cl       7.67731001       5.27664998       3.70679005      -0.26667937       0.37156906      -0.02780150
Cl      11.36075604       2.09384999       0.17585300       0.42487740      -0.28021196       0.42810583
Cl       1.91010005       8.55753996       7.55355001       0.13745476       0.25973349       0.19329825
Cl       6.78157004       2.08535003       7.17128001      -0.28188933      -0.64098708      -0.49854934
Cl       7.71793002      10.53249998       3.43497999      -0.69472286       0.36376293       0.21886933
Cl       6.12567003      10.03979995       9.06772003       0.18436607       0.30393878      -0.29602426
Cl       3.85553003       7.21393998       3.65651998       1.07401242       0.91898839       1.27419962
Cl      10.28900004       8.55682000       0.99687006      -0.09324178       0.24686163      -0.25789475
Cl       3.83509002       5.51334002       6.44060997       0.70792450      -0.67925160       0.06082162
Cl       4.12419004       1.10570998       1.42739000      -0.23779601       0.41893333      -0.11803369
Cl       2.82673998       1.16431997       6.78195994       0.28732479      -0.62730496       0.29053325
Cl       4.87911002       5.03875998       1.98255006       0.45496022      -1.66717092      -0.37176672
Cl      11.05219998       7.02676004       9.37218001      -1.02493607      -1.67693567      -0.06654784
Cl       0.63167197       5.42625001       6.32071997      -0.42977996       0.07540475      -0.05131330
Cl       5.02986003       3.21655003       9.75836999       0.57654875      -0.65547338      -0.10817333
Cl       4.41024997       6.79160003       9.38941999       0.89881788       0.48973729      -0.02137670
Cl       9.46099998       2.86037996       3.69696000       0.40998052      -0.67126088       0.19403772
Cl      10.56379998       0.25092695       8.31520996       0.98818759      -0.36070651      -0.47784704
Cl       7.35142994       6.74924994       0.24491990      -0.40110060       1.14657208      -1.42672569
Cl       2.55069994       6.15484995       0.26631993      -1.37770189      -0.57737240      -2.69070896
Cl       7.67800005       6.24460001       7.15796999      -0.76240872       0.62825498       1.14769631
Cl       0.93769798       5.32522998       2.97335000      -0.06990480      -0.36535756       0.01987259
Cl       5.47444997       9.54369000       1.21131996       0.18725217      -1.08722452      -2.23664228
Cl       1.98970996       9.63162997       4.39946999      -2.90265203      -2.82872616      -1.72542126
Cl       9.54624997       3.86829997       7.63356003      -0.11904276      -0.67752009       0.67609907
Cl       9.81358999       8.67443996       5.29431002       0.15281885      -0.71181787       0.02830059
Cl       2.21491003      10.31610000      10.53200002      -1.12784831       0.46602271       0.47419064
Cl       1.44335997       0.84014704       3.22654998      -0.85371702       0.88424605       0.12546029
Cl       1.37173998       3.03696999       8.68502000      -0.19352081       0.34862414       1.48125894
Cl       9.13252004       4.68035001       0.75491803       1.54625932      -1.37639348      -0.20142871
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.96056192 stress="-0.0004128106860464307 -0.006207401537936611 -0.0024467787315749106 -0.006207401537936611 -0.013279634569487286 -0.0021584985919175384 -0.0024467787315749106 -0.0021584985919175384 -0.010430924682732708" free_energy=-223.96056192 pbc="T T T" config_type=melt 
Li       9.37702000       2.59622001       7.20873003       0.52324620      -0.11798983      -0.54650137
Li       2.47729003       4.76578997       9.84413003      -0.03156988      -0.65570253      -0.36852057
Li       2.29176003       3.45511998       6.32229998      -0.12954650      -0.22065759       0.14285967
Li       1.22313000      10.36800005       2.05080998       0.11040568       0.41526144       0.22893647
Li       8.04911003       6.00306999       6.66839994      -0.77997384       0.67753722      -2.04195933
Li       5.82847003       1.55915998       6.91624002      -0.10091482      -0.43863210      -0.26082465
Li       0.12772905       3.04970005       0.64367198       0.13753450      -1.48741011       0.68680457
Li       8.17225004       0.51611501       0.33957897       0.03386196       0.34333493       0.14586809
Li       4.95650996       8.86272999       6.64366003      -0.09070988      -0.66688196       1.05517069
Li       7.86786996       7.48088001       3.57362005      -0.82926739       1.60549631      -0.19425747
Li       4.90677000       6.77072999       1.61631996      -0.33597821      -0.35205879      -0.03381486
Li       7.38248003      11.22320004       3.86783005       0.47953240      -0.58875786       1.30523849
Li       5.19654997       5.01175002       4.84535998      -0.04351542       0.01243512      -0.16821767
Li       2.98701004       7.95103002       3.49574996      -0.37909876       0.07458490       0.30178898
Li      11.06480003       1.50252999       4.45793002      -0.26124948      -2.04080054      -1.12007717
Li       1.46835004       8.95122001       7.64154994       0.05530732      -0.03899549      -0.12150786
Li      10.05469996       9.27880001      10.86979996      -0.11273519      -0.15274574       0.00195921
Li       6.24442003       6.43660997       9.02382995       1.30844152      -0.26856101      -1.16017725
Li       0.67966902       6.02494005       1.64133995      -0.43321877      -0.34149383       0.16310112
Li       0.77682799       0.63739506       8.99597003      -0.21959667      -0.17351584      -0.03138687
Li       3.57301004       0.60999199       4.46910002       1.73519339       0.33046265       0.30737481
Li       4.17999002      11.08139996       9.61419005       0.46617469       1.39214512       0.73180413
Li       5.55304002      10.22329997       0.61885605      -0.41498465      -0.25976959       0.13492915
Li       4.10065995       2.67944003       1.69838002       0.27910492      -0.17305507       0.11996775
Li       8.37207003       5.67982005       0.40822605       0.34270999       2.66892137       0.25248736
Li      10.65269997       5.85051997       8.90471000       0.69459295       0.06436714       0.47771292
Li       8.91658000      10.06239995       7.50586996       0.06996296       0.38239377      -0.18366778
Li      10.32000003       9.39025001       4.62954995       0.57542991      -0.01572275       0.07011409
Li       0.03006955       5.85341998       5.44058999      -0.05334170      -0.32503492      -0.11323089
Li       8.66836000       3.59736006       2.52945996      -0.19861826      -0.08280409      -0.07711792
Li       3.12116000       7.91405003      10.17749994       1.48508033       0.49422286      -0.48074325
Li       6.38634002       3.23247999       9.88445999       0.36621299      -0.25700086      -0.08548719
Cl       3.52601004       9.61407999       8.40541000      -1.08686507      -1.96847278      -2.37794108
Cl       5.07364005       7.31162000       3.95301997       0.07562924       0.22161202       0.81955905
Cl       6.76233997       7.90547005       1.19125002       0.50878275       0.75030303      -0.00163098
Cl       1.11305996       1.20893998       1.43267996       0.29110781      -0.23440924      -0.21587424
Cl       5.32531998       1.13779002       0.15948705      -1.04976961       0.19138523      -1.74389329
Cl       1.68216001       6.65747001       9.99779002      -2.46154975       0.85391633      -0.56434692
Cl       4.95658998      10.23899996       5.23215998       0.57971086       1.72513284      -1.58313063
Cl       4.74846996       6.42389001      10.30590000      -0.36130736      -0.82149561       1.25907252
Cl       2.29212999       7.42222004       1.44101002       0.62116129      -0.19167414       0.64030563
Cl      11.33379996      10.27810003       6.69303003      -0.10309591      -0.09006356       0.68726723
Cl       5.32426996       5.13270001       7.10269003      -0.05521011       1.15246401       0.09279598
Cl      10.08690003      11.31390003       9.80350005      -0.25438839      -0.04045725       0.37113642
Cl       4.20272002       2.63496997       4.92265995      -0.15237246       0.01965186       0.70562452
Cl       8.04864997       3.80954003       0.11728497      -0.66719838      -2.45153904      -0.35066121
Cl       1.22125995       5.36994996       7.32802000       0.03518217       0.12172148      -0.57783201
Cl       8.66837995       0.95013695       5.59379003       0.22816852      -0.61599700      -0.33982169
Cl       8.95259000       8.09742005       5.95632003      -0.76101895      -0.09928251       0.11064379
Cl       8.39841002       5.58655997       3.61079997       0.14846487      -1.53959002       0.41231846
Cl      10.91760005       4.11673001       2.30908004      -0.07042480       0.41608478       0.77082412
Cl       2.63201998       1.70849999       8.58311001       0.21657249       0.39850230      -0.04261513
Cl       9.02494004       7.39985002      10.14440005       0.44555429       0.88285327       0.68481429
Cl       0.09227977       4.36050004      10.64750000      -0.16744424       0.18532732      -1.45477718
Cl       3.20158995       9.61377997      11.23860000       0.62091378       2.58336212       1.88795905
Cl      11.30767206       3.11431995       5.51586996       0.33681961       1.61855606       1.38655242
Cl       4.93090999       4.60756995       2.62823000      -0.17487777      -0.57832714      -1.32720654
Cl       0.43167600       7.49415003       3.95818004      -0.07155895       0.10014618       0.32992361
Cl       8.67671001       5.19451002       8.30445004       1.24572974      -0.05747070       1.20341537
Cl       7.01012995       0.96921798       2.30638994       0.76299393       0.68043021       0.10199159
Cl       9.70772000      10.42219996       2.68122994       0.14121201      -0.32029091      -0.27616826
Cl       1.90831999      11.10530000       4.38074997      -2.18382265      -1.14454086      -0.80954297
Cl       7.35218005       2.96057994       7.63766000      -1.53623387      -1.45217440       0.71651043
Cl       6.24447998      11.10270002       8.26044005       0.65066267      -0.09923621       0.34610222
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.70045492 stress="-0.019940176123683456 0.00492396426684895 -0.0014586494770052758 0.00492396426684895 -0.02103020433738188 0.004387146466093284 -0.0014586494770052758 0.004387146466093284 -0.0122165051255253" free_energy=-222.70045492 pbc="T T T" config_type=melt 
Li       6.03665998       5.53493001      11.08930000       2.38882546      -1.56232351      -0.49529825
Li       9.86001001       2.64247002       8.09774002      -0.14723220      -0.07248985       0.36567531
Li       4.61449999      10.65880000       7.31434999       0.58605097       2.10212536      -0.06057793
Li       2.53838994       6.04917004       0.61081100       0.01582140       0.13281510       0.18828639
Li       9.56504004       8.10702998       5.87413994       0.01843213      -0.51597161      -0.01218297
Li       6.65132997       9.60569994       1.74933003       0.50346579      -0.06978374       0.52095727
Li       0.64254195       4.87284995       6.28465002       0.68238908      -0.84176793       0.57918351
Li       4.68997003       9.67742002      10.50650002       0.33703926      -3.54021670       1.96156243
Li      10.23730004       3.43881995       3.90878000      -0.07351379       0.29131804      -0.08666382
Li       7.46817999       2.20855997       6.14406997       0.00761615      -0.24203070       0.09083039
Li       3.21978995       5.51135005       3.82547997       0.58857749      -1.65815872      -2.70294427
Li       0.30393297       0.88259801       5.89750002       0.51765857       0.25420590       0.45106396
Li       9.44752005       5.61840006      11.01039996       0.52991778      -0.33567326       0.04946991
Li       4.43884005       5.43258999       7.19811996      -0.06173395       0.73435564       0.08088600
Li       1.15032002       2.51532003       0.91022199      -0.03309351      -0.71011226       0.09936259
Li       2.09225003       9.85327004       2.01066001      -0.52816887      -2.31216945       0.62017143
Li       8.91627001      10.75359997       7.49152998      -0.02172219      -0.87210247       0.76311143
Li       9.93242000      11.41284778       3.51455001       0.09738730       0.56453389       0.18510539
Li       2.40817005       0.59034703       9.17667999      -0.28751903      -1.75559222      -1.22468587
Li       6.57210996       1.57234000       9.70108998      -0.43178864      -0.36714593      -0.82706103
Li       3.86799995       2.87793005       5.90806997      -0.12646319      -0.83753212       0.38447748
Li       5.37458004       7.90084995       5.21499004      -0.46790165       0.27333908       0.14096411
Li       3.88587001       0.48751599       3.50132000      -0.11658010       0.11074388      -0.29527031
Li       4.60882001       2.14790006       0.27853695      -0.51343542      -0.36130696       0.17407307
Li       7.94032995       6.37113001       8.27304995      -0.15700957      -0.03135943       0.19181917
Li      11.16519995       7.58399994       2.97256997      -2.53439939      -1.59189480       0.19792015
Li      11.14069998       8.53065003      10.05190004      -0.45566519      -0.61634695       0.34062728
Li       7.22645003       5.28058005       3.51160999       0.47449579       1.32968205      -0.77517183
Li       1.31513005       8.66676004       5.37955003       0.28592151      -0.61570473      -0.41982119
Li       2.07066004       7.47089003       8.58619000       0.17049114       1.03292003       0.35233643
Li       1.54685995       4.04379001       9.75411995      -0.58070042       1.50313243      -0.55014214
Li       7.97297999       1.90718995       1.50292000       0.69873810       2.53480418      -0.26625188
Cl       5.58056002       1.14610002       6.57833002       1.05641314       0.97413554      -0.40276473
Cl       1.03879000       2.60954999       4.67507002       0.23349309       0.56284429      -0.11072189
Cl       8.28085002       0.30361988       2.30657005       0.43057579      -3.73507198       1.61198375
Cl       0.69630300       6.34984004      10.83619999      -0.62636105       0.10980580      -0.17022820
Cl       0.47691405       3.21028996       7.89816994      -0.71053067      -1.13123438      -0.53095927
Cl       2.24790996       5.47136000       7.99619000       0.94238471      -0.33821404       0.10074334
Cl       2.85268995       0.41449999       6.71669001      -2.14270528       0.33805354      -0.48477975
Cl      10.63570005       2.49676005       1.92657995      -0.33228318       0.16489871      -0.38117501
Cl       9.23962003       6.25767996       2.65763004      -0.24325921      -0.13429540      -0.27795586
Cl       4.49707997      11.27009995       9.66646006       0.36298025       3.65656315      -1.75836605
Cl       2.38413003       2.27188005      10.20069998       0.60295390      -0.10668294       1.05240805
Cl       5.97272003       4.70837995       8.58865998      -0.31481137      -0.24154216      -0.25086263
Cl       5.50495997      11.28244709       1.40388995      -0.28448554       0.92305859      -2.06173151
Cl       2.86902001       3.81285998       1.14991005       0.80762931       1.01078893       1.32453995
Cl       6.87440996       2.62229002       0.02614819      -1.20856764       1.73776130      -0.59787658
Cl       7.81135003       6.99349001      10.91899995      -0.30971491       0.63988323       0.00868706
Cl       5.31663005       5.40757997       4.51264995      -0.42479453      -0.22973314       0.06712391
Cl       7.77601001       3.67247998       4.53833005       1.47626621      -1.82938221       0.62566713
Cl       1.04718002       9.94002999       9.43387996       1.06866537       0.50002743      -0.08881379
Cl       9.09948996       4.52194003       8.96752004       0.36927713       0.15785773       0.23320802
Cl       9.38370001       0.52656596       5.83920003       0.69773772       0.41458145      -0.91553388
Cl       4.61186000      10.00409996       3.71876999       0.12280435      -2.15205752       1.66635135
Cl       2.69923998       6.62766002       5.19582004      -0.37883038       2.07766587       2.80308916
Cl       4.05739995       8.83085998       7.38450003      -0.64253427      -3.03489878       0.16145427
Cl       8.47667999       0.91981702       8.88577995       0.24714923      -0.01560300       0.17395374
Cl      11.20959996       6.50104002       5.43727005      -1.33118015       1.22739015      -0.38173771
Cl       2.53485998       0.18429805       1.65414005      -0.46713702       3.04481491      -0.50336519
Cl       4.45974998       6.55781997      11.00489997      -2.65046743       2.20234327       0.17729007
Cl       9.94390996       8.40818000       8.16851005      -0.42891105       0.36265989      -0.40012243
Cl       7.42267001       7.46958001       6.26251995      -0.22407279       0.25324349      -0.31734875
Cl       1.57544006       7.82442000       2.72016998       3.49533331      -0.80468659      -1.58627750
Cl      10.98350005       9.59126000       3.38214995      -0.55891783       1.44073261       1.19230870
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.36677884 stress="-0.013889244925374461 0.003282347733531477 0.00578777965526034 0.003282347733531477 -0.005952080704584452 0.002975785614459517 0.00578777965526034 0.002975785614459517 -0.011155167288033367" free_energy=-224.36677884 pbc="T T T" config_type=melt 
Li       9.51578995       5.31335998      10.04680004       0.37171429      -0.24314175      -0.23629006
Li       2.88859997       3.64731004       9.91631005      -0.23695347      -0.13588884       0.12571634
Li       4.08182001       8.64523998       8.98345998       1.46669109       0.00459864       1.74622955
Li       1.95993997       5.51859994       3.71770003       0.43028847      -0.46259432      -0.53985302
Li       4.07666005       4.90278995       6.41609005      -0.12509968      -1.16946400       0.94128065
Li       8.88919998      11.45770005       5.86120995       0.43762805       0.38159258      -0.23081587
Li       1.47979001       6.98772004       7.80964999      -0.01800777      -0.18487602       0.21269987
Li      10.20240002       7.68312000       5.33959003      -0.36647088      -0.89703281       0.28194356
Li      10.37769998      10.62270001       0.26966601      -0.79064999       2.68103372       1.77372095
Li       7.73957000       2.85334995       6.95905005      -1.93891967       1.91291791      -0.50764727
Li       0.04981104       9.69667004       3.76230995       0.20533253       0.72731672      -0.08491723
Li       3.78546998       7.18381001       0.23970205       0.53297097       0.01583179       0.39512983
Li       0.29189295       7.21860995       0.41352896      -0.09964023       0.13236602      -0.00175086
Li       5.71000000       4.53413997       9.66385996      -1.36960738       0.06259872       2.11717843
Li       1.68206004      11.09720003      10.89430004       0.52753374       0.19802258       0.20224134
Li       4.50488003       3.40217003       2.27972002       0.21131811      -0.23965874      -0.22493668
Li       9.71933996       5.15960003       3.33315999      -0.62676897      -0.93676400       0.43238891
Li       3.40966996      10.45810001       2.53631995      -0.83090353       0.32688765      -0.67422668
Li       0.81286996       2.68723000       0.97934702       1.51254191       3.12214472       2.19330079
Li      11.30380000       1.87991999       9.22522995       0.01930317       0.24229170      -0.08118628
Li       7.42205002      11.42334860       2.30755999       0.51163063      -0.08013853      -0.29461210
Li       2.03977000       2.13974001       4.67240997       2.84467636      -1.40391527      -1.87041319
Li       5.00123005       0.73644701       5.44574995      -0.48480574       0.09462735      -0.14063520
Li       8.26383003       0.61509497       9.27282999      -0.54915429       0.31804999       0.40832009
Li       4.62047001       0.58872002      10.70519995       0.12991727       0.39170961       0.02838803
Li       6.88450002       8.57158004       4.29672998      -0.00387337      -0.01992025      -0.36911592
Li       7.61115000       8.03527998      10.79939999      -0.45792293       0.28933462       0.07525232
Li       0.23869101       4.50281004       6.13376003      -0.68335741      -1.04833326       0.48895969
Li       3.55872004       9.55933003       5.60606999      -1.67634410      -0.16998060       0.19012965
Li       7.43120001       6.23761999       6.85654001       0.10081258       0.34290138       0.05362969
Li       6.80008004       6.31817994       2.20964999       0.05419288      -0.09117715       0.67012391
Li       8.23714004       3.26180998       0.59560202      -0.88627241       0.17387335      -0.13576801
Cl       3.80123004       2.64382005       5.50007997       1.65838634       0.56582799       0.95200681
Cl       4.61046995       6.15437005       4.96808006       0.27515340       1.07277782      -1.40609019
Cl       8.16695996       6.32916994       4.36016001      -0.49496179       0.71296006      -0.00691630
Cl       6.91015994       4.55910000       8.18157004       1.52795925       0.02522342      -2.39205606
Cl       6.22190005       2.25022002      10.01770003      -0.28933123      -0.78383556       0.46434748
Cl       9.97162005       3.22509998      10.93660003      -1.00950532       1.65830301      -1.49665132
Cl      10.60880003       8.96424997      10.92240003       0.12844918      -2.85801494      -1.99235691
Cl       1.24379999       9.29281005       1.86632003       0.38201926      -0.54845965      -0.27235898
Cl       9.18190999       9.96934003       3.23826005      -0.52682124       0.26175072      -0.47281429
Cl       7.01293996       1.04330005       6.16569000      -1.68588339      -1.06082784      -1.06776899
Cl       4.03478998       9.89021999      11.10190004      -0.62662317      -0.93883324      -0.91476022
Cl       0.77790196       6.37694000       5.38514002       0.61080039       1.07813436      -0.46292994
Cl       9.59900996       9.49317001       6.25692996       0.20847997      -0.08226016       0.86018969
Cl       2.40002996       3.30269000       2.63672997      -1.72884745       0.92731228       1.28981066
Cl       9.78856003       6.07248001       7.26110001       0.00217534      -0.22035988       0.38109693
Cl       6.03889002       7.66861000       8.51062996       0.70029660       0.29594859       0.47852059
Cl       3.77087996       4.81694003       0.60272902       0.23437099       0.86673460      -1.25710209
Cl      10.89919999       5.62865004       1.75735995       0.76037616       0.33050617      -0.13537782
Cl       3.48500002       1.09874004       1.19372997       0.73991894      -0.53194890      -0.27731122
Cl       3.23423002       5.37525001       8.47773997       0.24706637      -0.05311814      -0.17642311
Cl       4.72940005      10.12960000       4.22260997       3.84394200       0.38260232      -1.31062055
Cl       2.02100996      11.12050004       4.42798005      -0.88144084      -0.07822534       0.36848579
Cl       0.49656704       5.66761002      10.11140000       0.15823243       0.47804416      -0.32786786
Cl       5.79160997       8.15762001       1.63330005       0.09786608       0.10716161       0.18986091
Cl       7.01291004       5.38474003       0.31071696       0.79909820      -0.05519152      -1.08249367
Cl       3.04089995       8.86412003       7.37557005      -2.17891190      -0.40401774      -0.09916804
Cl       9.22979996       1.86083001       7.55593997       4.04284232      -1.42258746       2.13197985
Cl       8.20766997       2.99406997       2.70108998      -0.25768654      -0.35248894       0.69776960
Cl       7.85151995      10.81909998      11.44357216       0.07809227       0.22106866      -0.25095678
Cl       0.33531701       2.43232002       5.14167998      -4.75456097       1.48908926       1.58382059
Cl       0.07489981       1.28354000       0.07431995      -0.24536814      -5.68987163      -1.22611283
Cl       2.21685002       1.32878997       8.99726996      -0.02738376       0.27138238       0.28578305
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.17965046 stress="-0.010792877679968704 -0.0027157350903219473 -0.003412766394799712 -0.0027157350903219473 -0.015296848257442755 -0.008117536769139705 -0.003412766394799712 -0.008117536769139705 -0.010395700282833636" free_energy=-225.17965046 pbc="T T T" config_type=melt 
Li       3.94692006       8.33887005       5.46328995       1.96564466      -0.57559518      -0.03027454
Li       7.80567005       2.89741004      10.16130000       0.40081303      -0.52603516       0.09497932
Li       4.75364001       5.10596003       6.47332994       0.68951127      -0.01568958       0.06811130
Li       7.64826996       9.43431996       7.72026002       0.48073059      -0.70415312       0.14736812
Li       8.72274998       9.70574998       0.57337095      -0.53189670       0.27503553       0.19357466
Li       6.99873996       6.28407004      10.21199998       1.43583708       0.96075201      -0.89632131
Li       3.29148997       3.96781004       3.57456001       0.46254630       0.63844739       0.29704168
Li       5.31778004       8.53909004       1.17262997       0.08186425       0.27845654       0.41637580
Li       3.79930002       6.69194998      10.32800003      -0.33738201       0.14742565      -0.00657781
Li       5.64512994      10.91120000       9.98562997      -0.09881914       0.58326906      -0.22566605
Li       1.89322004      11.00669997       7.90785004      -0.38924597       0.17306166       0.03608483
Li       7.08923005       3.34178995       3.98414996      -0.07695085      -0.15600970       0.01795902
Li       4.68656996       0.93954900       6.33438000       0.12799467      -0.18016393       0.00500966
Li       1.32948000       0.74273700      11.06180005      -0.04395501      -1.12779103       0.19823351
Li      11.26269998       3.86333995      10.09270004      -0.26428318       0.20375184      -0.29886453
Li       0.84415197       8.41578001      10.47230001       0.60946819      -4.94528161       0.34903535
Li       8.85414003       6.69414998       3.39443003       0.56304452      -0.45872918       0.73964483
Li      10.03710000      10.97609998       8.85592995      -0.62992019       0.43258550       0.81350834
Li       5.05793995       1.30077001       1.38597999       0.81864307      -0.51331323       0.54972977
Li       9.00450003       5.90398995       7.70233000       0.47740458       0.06784844      -0.84769532
Li       5.41448995       5.46625003       1.62329999      -0.17672999       0.00301962       1.62409790
Li      10.85210003       4.12828004       4.54943997      -0.60467690       1.02054432       0.30665354
Li       1.20058997       6.97994003       3.86310000       0.40446563      -0.41251585      -0.37772120
Li       0.16464495       4.18408999       1.38809996       1.01914467       0.27420545       0.68251509
Li       1.68201006       5.79001999       7.37479999       0.04901267       0.38726381       0.92965201
Li       0.15875804       1.77018997       6.32403005       0.25266127       0.03612383       0.29707557
Li       7.31739995       9.63117999       3.42034997       0.36712136       0.28338237      -0.49310904
Li       9.51567004       1.50363996       2.46086000      -0.21309780       0.01289823      -0.32046745
Li       3.10687000       2.71138994       9.47101002       0.17157535       0.23858480       0.45284203
Li       2.59420001      10.94570003       3.53004994      -0.02532145      -0.44736944       0.39430493
Li       7.91631996       2.15545995       6.55270999      -0.51161197       0.22442696      -0.87554812
Li      10.35670006       9.82655999       5.63236997      -1.01003792      -3.28991736      -3.50063661
Cl       8.39943000       7.61391002       8.90760003       0.26984926       0.61889462      -0.55239762
Cl       5.27694003      10.00659997       3.26830002      -3.07083240      -0.44801376       0.96616425
Cl       7.67406000      10.23569997      10.02109999       2.19402138       0.85892177       0.50427029
Cl      11.09819995       5.35563004       6.97686004      -0.46834833      -0.21216240      -0.41703349
Cl       9.22692999       1.94644996       8.15384001       0.48122803      -0.60016790       1.06111667
Cl       8.52900995       8.78952001       4.95643005       0.51876707      -0.45873949       0.89105061
Cl       8.35212001       4.70503994       9.26731005      -0.37359004      -0.47142732       0.55954582
Cl       4.84441005       9.01122004      10.40689996      -1.02844116      -1.35393408       0.77206510
Cl       1.28610994       2.07717003       8.44387002      -0.00945749      -0.49208777      -0.67079818
Cl      11.16849994       0.16208899       1.92515001       0.44469475      -0.50512826       0.07899016
Cl       1.18062000       3.49403995       3.68536996       0.06577632      -1.63272257      -0.42488617
Cl       8.11256001       1.27423994       4.22409998       0.20435811      -0.43999705       0.71378171
Cl       4.28938000       1.16733003      10.89250004      -0.34129933       0.02972105      -0.92361566
Cl       7.55354004       7.53386000       2.01619004      -0.26946061       0.94966705      -1.73224388
Cl       2.39767003       6.75913995       1.84509999       0.75300370       0.19133234      -0.32269237
Cl       5.42870004       6.05082995       3.69484003      -0.20752049      -0.09510132       1.03922250
Cl       1.32411999       6.16903998       9.91954000      -0.43821490       0.10475370       0.34519505
Cl       5.35616004       2.83958994       2.88428997      -1.20890678       0.02687664      -0.47133516
Cl       7.18048996      11.22470002       1.67661004       1.13348024       0.53919381      -1.41084586
Cl      10.78770001      11.05070000       6.84617997       1.39977831       2.54324585       2.79962037
Cl       2.81203004       5.17369994       5.73784994      -0.45850202      -0.76931469      -2.08947662
Cl      10.97230003       5.88295999       2.75701996      -1.12511625       0.81397423       0.57024530
Cl       9.82186995       3.57381002       0.59845204      -1.77470752      -0.60193761      -0.28470327
Cl       2.04092995       8.63912998       5.14185000      -2.03378802       0.38981583      -0.30113592
Cl       5.60632003       2.98645998       6.86604998      -0.03103655      -0.35290266       0.06608291
Cl       1.21628996       2.67976997      11.42400000       0.97774066       1.73634740       0.60474929
Cl       5.54589995       5.27321998      11.11100004      -1.37308536      -1.06855229      -0.63921620
Cl       3.82832999       6.42027004       8.07778999       1.15811854       0.78856641       0.57757171
Cl       8.63746995       4.15244995       5.11535994       0.52073282       1.16610367       0.57269701
Cl       0.66755104      10.20490003      10.38349999      -0.58038493       4.00880198      -1.03144503
Cl       2.25400002       0.23975604       5.79097003       0.92657307       0.72386611      -0.36453447
Cl       5.99520996      10.67180004       7.61713997      -1.71898416       1.12358803      -1.22692411
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.66463294 stress="-0.010895399435602601 0.0006484449070797477 -0.0050956678333774885 0.0006484449070797477 -0.013753259599430053 0.0014724896989334476 -0.0050956678333774885 0.0014724896989334476 -0.02340592705146032" free_energy=-221.66463294 pbc="T T T" config_type=melt 
Li       3.50308997       5.07924998       1.40451005      -0.60437170      -1.90185947       0.24208745
Li       4.66552005       1.63185005      11.19126709       0.32159606      -0.17060042      -0.03745279
Li       5.85393002       2.40806000       3.51403996       0.02303174      -0.00759789      -0.14705464
Li       5.19013995       0.67927602       7.62007001       0.32388729      -1.33938842       1.07776501
Li       4.27908003      11.17639998       3.83782001       0.70061878      -2.24923235       1.07550210
Li       5.67362005       8.48910004       6.65536998      -0.50177050      -1.78289220       2.61447368
Li       2.99795006       3.07104000       4.74451994      -1.74744003      -1.10348471       0.78699756
Li       7.52673999      10.83130004      11.27179999       1.35801805      -0.15092577      -0.21967386
Li       9.57024998       9.57485002       7.36863003      -0.34436375      -0.06972526       0.15289142
Li       0.41797905       4.46615003       6.80137997      -0.90104681      -0.32486465       0.23617671
Li       0.19219900       2.80615999      11.28199999       1.90333278      -2.05698002      -1.50632609
Li       1.50519004       9.77977002       6.99539996       0.19252057       0.20772687       0.01246080
Li       9.76566001       0.73331199       2.20629004      -0.48318726      -0.71327297      -0.91638757
Li       1.92525995       1.71821001       2.25579005      -0.37047060       1.63910450      -1.16122938
Li       7.73393003      11.10979996       5.15276995       0.52850220       0.60403276       0.12585499
Li       0.14804295      10.47719996      10.39730000      -0.34365629      -0.20407881       1.15757730
Li       2.54871995       8.98830994       1.29527999       3.31618328       0.27977896       2.06071455
Li       7.24835001       8.72525000       3.11545996       0.01036060      -0.03745409       0.21513431
Li       9.47308998       2.72758003       5.58057000       0.87247493       0.59487010      -0.55821607
Li       9.96887997       0.80547401       8.65641995      -1.24602182       1.92449117       0.36954279
Li       7.17251999       4.76328995       0.60900595       0.23740491      -0.01111720       0.49277707
Li       2.36731996       6.59227999       8.56751996       1.80837517      -2.56842598       4.13000148
Li       0.24404896      10.46500001       3.72983004      -0.49413647       0.19605263       0.45754884
Li       0.31377299       6.39733002      11.16668412      -0.25428568      -0.01721348       0.35249639
Li      10.75039994       4.21346996       2.85724998      -1.17568157      -0.78300595      -2.21354580
Li       3.03771001       3.31411002       9.17570002       0.21603868       0.19082770      -0.45254498
Li       8.99136001       6.60946999       5.45033004      -0.12758269       0.10662730      -0.53454031
Li       6.23018001       5.65306001       3.66060998       0.15727357      -1.39464803      -1.75338525
Li       5.47061998       4.34987999       7.31305005      -0.07394913      -0.06848665       0.07125912
Li       4.56912001       8.22393996      10.25069995       0.93679924      -0.64925894       1.63189548
Li       9.50331005       5.21554995       9.25242999       0.12780473      -0.36149751      -0.42512107
Li       2.61808996       6.75032002       5.47180998       0.50826693      -0.49692931      -1.29507128
Cl       5.86250003       3.02095004       1.11140005      -0.00761842       0.15034269       0.14872732
Cl       8.64904005      10.11970002       2.20630999      -0.44787374       1.02645730      -3.10741613
Cl       8.35479004       5.63443996       2.95198001      -0.30991477       0.29449915      -0.31334112
Cl       2.11442000       9.31555002       3.86609000       0.71590236      -0.31549174       0.20299234
Cl       1.77404002       7.46713995       7.15520996      -2.10164623       4.33941760      -4.05906577
Cl       8.88570005       2.07583995       3.47653996      -1.12531173       0.83287603       0.57076226
Cl       0.40743501       0.49379704       2.13288999      -0.76242071      -1.06303557      -0.86022379
Cl       0.03234016       4.71363001       4.52402997       1.18385572       1.12693540       2.84196308
Cl       4.06930996       9.30887999       8.69319002      -0.41510709       1.46226447      -1.81755519
Cl       5.48427004       2.28351997       8.87630003      -0.12684475       1.23352045       0.81226480
Cl      11.39609067      10.94460003       8.35613996       1.64173028      -1.80103976      -1.18081641
Cl      11.19969998       6.57318004       9.03030005       0.26185498       0.41404422       0.73211379
Cl       4.62912004       6.07214996       9.78319004      -0.23951292      -1.01829684      -1.14421018
Cl       0.31945102       1.30398998       5.56169005       0.52869805      -0.03889460      -0.19898101
Cl       9.43426998       0.57323796      10.86329994       0.21613279      -0.00374847       0.14759640
Cl       6.01169995       9.70276995       5.27281002       0.01792940       2.84042173      -2.56250465
Cl       3.50079000       1.40132997       3.33658999       0.41042724       0.93412431      -1.30642294
Cl       5.75277999      10.26500003       0.63219601      -1.90694630      -0.12305746       0.30513289
Cl       8.70959002       1.35307005       6.88944995      -1.35725374      -1.38669248       0.62579359
Cl       1.62667003       3.97925001       1.76390996       1.08128430       0.24074759       0.44393451
Cl       8.96807996       4.96392999       6.91190996      -0.43072227      -0.08256832       0.01690844
Cl       9.15791995       9.44771001       4.57400999       1.48638770      -1.44204887       3.80279196
Cl      10.87430003       3.36889002       9.16612998       0.48726215      -0.70365078      -0.88792428
Cl       2.49857003       2.01274995      10.80620003      -0.25898695      -0.56068546       0.06850590
Cl       4.55783996       4.18078002       4.30044005       1.47461015       1.36793965      -0.44214232
Cl       4.78758998       1.20418001       5.78157998       0.27106799       0.49485638      -0.73037084
Cl       4.36239004       6.80920996       1.23136996       0.77518245       2.25174333       0.68208892
Cl       8.14842004       8.72400005       9.06641001       0.00538196       0.24163847      -0.51936453
Cl       5.96977004       6.79759000       5.16282000      -0.21962754       0.89145980       2.36686422
Cl       0.91168197       8.72873995       0.50861989      -3.16425941      -0.71603452      -2.05674134
Cl      10.49560001       4.01579997       0.61741603      -3.59194269       2.88786757       1.18317136
Cl       2.57679001       4.65459998       7.15765999       1.03375652      -1.05648318       0.19286073
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.58315151 stress="-0.012020911152968437 0.003970120121228523 -0.0007776653483920318 0.003970120121228523 -0.030412594302911454 0.002539293563008406 -0.0007776653483920318 0.002539293563008406 -0.02316509830949095" free_energy=-221.58315151 pbc="T T T" config_type=melt 
Li       1.78539998       7.02039003       1.01752995       0.18244027      -0.16522451       0.20505095
Li       6.06571999       3.70478999       0.12493406      -1.34841692       0.08615617      -1.31685004
Li      10.93910004       0.63644295       4.25341002       0.67148841       1.26845270       1.64653081
Li       6.20104997       1.54836005       6.30983005       0.07807470      -1.08625926       2.49947333
Li       3.68618002      10.28330000       7.56328995       0.00982393       1.20057800       1.59592272
Li       3.50920994       1.35471999      10.47059997      -0.52813937      -4.21632156       0.02963623
Li       1.01605003       1.46672005       7.82143000      -2.11897080       3.28549666      -1.70727948
Li       9.14918004       8.03087002       9.23018000      -0.05078868      -0.10496738       0.15686184
Li       6.84410001      10.78100005       9.23115996       0.84433856      -0.93797846       0.66444560
Li       0.87063905       7.72739000       7.22051004       1.61861790      -0.99942927      -0.74143938
Li       2.85652005      10.55359998       2.99058001      -0.01592943       0.13961992      -0.03123182
Li       9.60063995      10.74870002       6.82514004      -0.71365131      -4.02301367       0.53269514
Li       8.77580002      10.67739999       1.13608998      -0.53428026      -0.19125385      -0.64012696
Li       9.40577998       5.03426002      10.84859998      -1.07551553      -0.71884524       0.16711024
Li       8.86439999       1.78899999       8.43907004      -0.31753848      -0.18349553      -0.01968481
Li       2.00851000       3.93458002       4.31739996      -0.63644687       1.54398558       1.10106589
Li       4.55950997       9.50816001       0.30545302      -0.31157394       0.29712295       0.09403672
Li       6.18638004       4.36656006       4.08965997      -0.30617810       0.04805458       0.13975940
Li      10.68380004       4.09944004       6.91532999       0.68112550       0.32553420      -0.54376927
Li       3.99992000       3.98004002       7.69441002      -1.01305587      -0.37486911       0.18460260
Li       7.18095002       4.64641998       8.31448003      -0.27619539       1.68193575      -2.03011598
Li       6.70567995      10.30349995       4.55892001       0.34153033       0.05951311       0.40251637
Li      11.12149995       8.85462004       4.26587995      -0.28659326       1.22938963      -0.84623021
Li       0.48602494      10.93029995      10.45150002       0.29843555       0.43874878       0.00859113
Li       1.16179003       2.43931002       1.40320002       0.01332633       0.17145526      -0.44415318
Li       1.26167005       4.31739996      10.34980005      -0.32864951      -0.00746867       0.04318810
Li       9.03569995       4.43887994       3.34288995       0.28893879       0.09073807      -2.02327385
Li       8.69210997       7.62443996       5.50502005      -0.23995211      -5.01763933       1.40925398
Li       5.50758002       7.16795996       9.39781999       0.17025928      -0.16040330      -0.11748549
Li       6.44891997       1.24182996       2.15191003      -0.01063357      -0.01230862      -0.22730387
Li       7.01732001       7.20707998       1.88025004      -0.34889070       0.44452061      -0.72330661
Li       4.23464001       7.12840005       4.99798004      -0.07150012       0.09566420      -0.08795705
Cl       0.81292098       1.97998997      10.54700000      -1.24534949      -0.44328556       1.62702785
Cl       3.40547002       3.15295996      10.49950005       1.43592845       5.14928717       0.22521598
Cl      10.45819998       0.85801596       6.46631999       2.69483980       3.19311994      -1.21810765
Cl       3.87664998       4.89260004       4.43876003       1.32866950       0.63526679      -0.24747525
Cl       7.44932996       3.73947001       9.96417996       0.57989195      -1.98804733       1.90397058
Cl       6.01186997       8.61675996       3.48675004      -0.84501797       0.02742661      -0.72302968
Cl       7.75868003       6.75951001      10.56010000      -0.82224615       0.12901517       1.25320918
Cl       7.71051000       6.07478995       3.50895005       0.24674544       0.82228587       0.96729527
Cl       2.05137999       2.18503997       3.45817005      -0.25676294      -2.50638354      -0.64967121
Cl       7.80389000      11.39631124       7.53816002      -1.44095429       1.19188424      -0.51780561
Cl      10.79900001       8.70617997       7.89585003      -0.98287199       1.83750335       0.86599651
Cl      10.28699998      11.29750004       2.60870003      -0.36274364      -0.81026519      -1.53362838
Cl       4.12680997       6.03237005       7.94268001       0.31406357       1.13664706       0.21540937
Cl       7.02119998       3.75564003       1.87930997       0.34730628      -1.33223272       1.07324219
Cl       9.31617001       4.02313000       5.20252000       0.24930085      -0.89017219       1.94893721
Cl       6.39348994      11.03839997       0.20585903       0.79362815       0.39733478       4.72589893
Cl       7.47341997       7.88676000       7.62024002      -0.61994477      -0.52740283      -0.22207706
Cl       8.64040997      10.04629997      10.38169998       2.07176780      -0.30275428      -0.01844005
Cl       3.44002003       8.98881001       6.08870999      -0.31984738      -0.52051712      -0.82066456
Cl      10.93480002       6.13145995      10.18590005       1.72054162       1.13321392      -0.73065622
Cl       5.92186998       3.32351005       7.06937999       0.32066400       1.11550990       0.00086076
Cl      10.38069995       3.23476001       8.77544004      -0.53356561       0.24727387       0.16431344
Cl       6.49397000       1.12913999       4.52049003       0.29709850      -0.81534443      -3.61207300
Cl       0.50713699       4.82508001       1.42450994       0.26355919      -0.16381759       0.36641268
Cl       2.40185002      11.09170004       0.87919702       0.28320302       0.03155953      -0.45605000
Cl       1.93676998       0.14701804       8.68349995       2.30633004      -3.89491300       0.67959224
Cl       5.04468999       0.06481996       9.63114996      -2.78039845       0.42147181      -3.07588229
Cl       2.46564003       8.43398999       2.89284003      -0.55015226      -0.56753196      -0.02946391
Cl       8.75566003       9.35086000       5.11325006       0.88786044       5.20776398      -1.82355077
Cl      11.42269995       7.16023005       5.21233996       0.17820330      -1.84993483       0.33698385
Cl       3.89494995       7.39316004      11.17550003       0.12392590       0.22216663       0.12066787
Cl       1.71948002       3.84992995       6.94517999      -0.34917215      -0.49361647      -0.17699135
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.01669636 stress="-0.022096179978161868 -0.004326125347241118 -0.008871237375129723 -0.004326125347241118 -0.00473583810392348 -0.0019118793335471946 -0.008871237375129723 -0.0019118793335471946 -0.014077704946623075" free_energy=-224.01669636 pbc="T T T" config_type=melt 
Li       3.71828998       8.69356995       2.63903004      -1.18042542      -0.54166585       1.72074070
Li       3.24676002       4.84259996       5.79573997       0.81613086      -3.16728455       0.02255134
Li       0.34751603       2.49981000       5.91517003       0.15113532      -0.44839944      -0.74944921
Li       9.62149004      10.97459999      11.03979999       0.28687120       0.37018281      -0.26305348
Li       3.81661006       3.02443002      10.50730000       0.04463173      -0.53579118       0.26685361
Li       8.89943001       5.65293998       0.38587506      -0.14497021      -0.03991860      -0.33052410
Li       9.30886004       0.33801994       6.84960997       0.62582492       0.23085481      -0.28533438
Li       9.54229995       9.06843001       3.47737994      -0.16366469      -0.48622071       0.32084276
Li       6.88806002       2.48820999      11.42650001       2.10041795       0.94490233       3.35952850
Li       5.46463999       5.40858000       9.69572997       0.00270658       0.15432943      -0.54934814
Li      10.44420003       7.77798003       8.64290001      -0.34461767      -1.36372602       0.35579951
Li       0.58746204       8.61106004       0.41661400      -2.02980053      -0.30965745      -0.77697688
Li       0.61364497      11.41370129       2.88629003       0.59478738       0.54771774       0.89312282
Li       5.78579998       5.99340996       4.85340000       0.98129721       1.57485379       1.00958706
Li       1.35485997       4.69867005       9.09913995       0.87944779       0.23736154      -1.41575828
Li       3.85115996       7.90719004       7.89498001       0.08378273      -0.44671940      -0.12399852
Li       7.10992995       3.60759995       4.04568999       0.19880224       0.14092079      -0.07675302
Li       1.07185997       2.60897999       0.10278300      -2.09815503      -0.14523507      -0.90236461
Li       3.23902002       0.30619499       5.36473005      -1.08323330      -0.50786069      -0.87356728
Li       9.88810001       3.06434005       8.82311001       0.02603320       0.48374316      -0.30628439
Li       1.13085998       8.33845000       5.55189004       0.79750162      -0.11711574      -0.60638023
Li      10.68740005       5.47297005       4.34869997      -0.89458851      -0.68791731       0.39801111
Li       7.98729005       6.08060005       7.38048994       0.77579285      -0.07131479      -0.19724814
Li       5.07731997       1.49989997       7.92438004       0.18518893       1.11206511       0.95280896
Li       2.11274003       5.83780001       1.64193002      -0.59966400       0.04811991      -0.24314687
Li       1.12151005      11.05229995       8.53141997       0.26113107      -0.38463474      -0.06466472
Li       3.59607995       3.06133996       2.95206003       0.47462547      -0.68824830       0.58766232
Li       6.34556994       0.02961992       3.30761998       0.08899935      -0.26958999       0.27174987
Li       3.88820001      10.91740000      11.18022114       0.68427142      -1.87057468       1.67335371
Li       6.30803004       9.79033000       8.02330004      -0.95978940      -1.27348337       0.16715770
Li       9.17737999       2.02637995       2.62906999       0.73976488       0.27843055      -1.17824144
Li       5.74841004       7.74046994       0.45590301      -0.02293402       0.70352435       0.71260903
Cl       7.50260998      11.27729997       7.58200000       0.78521561       1.09351771       0.63555653
Cl      11.28800005       2.46692999       3.12326003       0.63447924      -0.05911511       0.15197725
Cl       9.45520994       5.63412997       9.16285005      -0.28204109       0.22444637       1.02653310
Cl       3.78701995       3.95441999       8.60932996      -0.42547332       0.80485785      -0.43039431
Cl       2.34773002       9.87623001       4.19925998      -0.21234170       0.52350747       0.32019878
Cl       5.66160996       7.99145995       9.83236000      -0.07187554       0.97892507      -1.43563654
Cl       7.56446000       8.41366004       5.21597001       0.23148476      -0.07132468      -0.44507483
Cl      10.65639995      10.47880003       1.66560994      -0.82562362      -0.39288004       0.20659912
Cl       5.77597005       2.00538002      10.09329997      -0.61826319      -0.53696421      -2.90780436
Cl      11.34653207       0.36323505       6.23347003       0.85809706      -0.54517155      -1.43539257
Cl       3.05091996       2.41988999       5.27523002      -0.39580255       1.03985530      -0.42705014
Cl       2.26290994       8.53788996       9.18687001      -0.13509283       0.46889715      -0.00669816
Cl       8.86179003       4.20435998       6.39808001      -0.41331512      -0.26594431      -1.03591649
Cl       1.13511001       4.89642005      11.04677806      -0.55091613       0.76094895       1.80744970
Cl       5.37358998       9.59416000       2.23328005       2.23078646       0.63324192      -0.93881684
Cl       6.31839994       5.71449996       0.32748496       0.25258930      -1.33116807       0.21726592
Cl       9.01030004       1.94877996       0.15012200       0.31323734      -0.04430420       0.21630677
Cl      11.30021512       6.91444002       2.96271998       1.99220224       1.32218788      -0.22150493
Cl       7.91627995       1.52577003       4.14582004      -0.07878639      -0.72875514       1.42113471
Cl       2.78201002       6.64375999       5.98776002      -0.86510640       3.05584137       0.13350659
Cl       4.65130996      11.40289999       6.72422995       0.16748649      -1.85575018       0.08842272
Cl       3.28425005       0.76405403       9.94240000      -2.44658974       0.56946632      -1.86362511
Cl      11.05060003       8.47663998       6.89418000      -0.43865292       0.45212116      -1.15993368
Cl       5.64430004       1.67665005       2.12722996      -0.54977028       0.55735123      -0.58413406
Cl      10.60230002       8.90859995      10.31829999      -0.78249628       0.92632306       0.79209164
Cl       0.33376096       3.88952001       7.48256996       0.15386963       0.43921247      -0.25885929
Cl      11.04499995       1.11393996       8.99615999      -0.43680732       0.01103785       1.73159145
Cl       2.78468005       2.76707998       0.99840902       1.46549987       0.02124706       1.30755900
Cl       5.89298997       5.90279996       7.09707998      -0.70174309       0.05373866       0.13806616
Cl       4.75808998       4.87923005       3.53442999      -0.47739286      -0.25840561      -0.72167234
Cl       8.86920994       5.55470004       2.60733005      -1.32248811      -1.15302779       0.28447195
Cl       2.29040003       8.85328996       1.22899994       1.66832859      -0.16556238      -0.37550303
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.1238485 stress="-0.011362442569477793 0.003313788499390891 -0.0024749956643481687 0.003313788499390891 0.00256278075506418 -0.003069318517171063 -0.0024749956643481687 -0.003069318517171063 -0.010352212954972611" free_energy=-228.1238485 pbc="T T T" config_type=melt 
Li       1.19455999       8.07598998       4.40899004      -0.21053302       0.23160016      -0.08790720
Li       1.91192000       5.33116000       5.83629005      -0.06545301      -0.30179979      -0.04284927
Li       9.28817997       4.62342000       5.92906004      -0.10289862       0.23113611      -0.04403221
Li       7.48594000      10.01649995       0.08581988       0.00079692      -0.26785461      -0.11651346
Li       4.65845003       4.22080996       8.28517996      -0.24128635       0.15119096       0.22745958
Li      10.68259996       5.34558997       1.41131995       0.19217568       1.00311140       0.48153721
Li       7.42538005       1.26967005       7.20147005       0.28910600      -0.62164055       0.31700197
Li       8.43105995       7.60478996       3.77920005       1.10681085       0.97717442      -0.18360394
Li      10.06690002       1.71641998      10.41339998       0.81292077      -0.39668206       0.34082443
Li       8.11638999       3.29350000       1.75067995      -0.54526706      -0.04577291      -0.60927760
Li      10.90079995       8.00624004       8.32833002       0.21622026      -0.07074782      -0.09794557
Li      10.93080002       8.94015996       0.74495901      -0.49890734       0.11904293      -0.44215961
Li       9.96483996       9.86941003       5.85291005       1.30873653      -0.65081041      -1.15477879
Li       7.57939004       8.54240000       7.16045005       0.10537939       0.05199143      -1.41563912
Li       0.42552198       1.90273998       6.68398999      -0.26396185      -0.02212557      -0.40097321
Li       2.55494998       7.39286999      11.30709999      -0.59868842       1.13567477      -0.01103262
Li       3.62100995       2.69831000       3.29807998      -0.39046388      -0.14227203      -0.67466755
Li      10.66640002       4.79086005       9.62672005       1.26234069      -0.40329474       1.43064477
Li       6.01779998      10.56190001       2.96526001       2.01344507      -0.63848939      -0.21611295
Li       7.65450997       4.35347003       9.03405001      -0.06502987      -0.69241214      -0.56859831
Li       4.01841005       5.66045000       2.78701005      -0.14422456      -0.30728488      -1.07134422
Li       0.30598198       3.20452996       3.71305998      -0.23519776      -0.56317327       0.04164790
Li       3.59360997       8.71052000       7.52901003      -0.83013854      -0.31740190       0.47050704
Li       5.80237997       4.43472002       5.15672994      -0.17713467      -0.10861570       0.26176880
Li       4.97684003       7.83330998       4.98542998      -0.61687251       0.30757386       0.12018032
Li       3.10994002      11.18556911       5.33599001      -0.10320956       0.46229875      -0.15191532
Li       2.47497998       3.32182996      11.36287807      -0.07282439       0.72563970       0.09443013
Li       2.80388995      10.92320000       1.34441005      -0.60158481       0.11463106      -0.08936925
Li       6.43016005       2.30280002      10.86410004      -1.26847237      -0.09782950       0.52523688
Li       3.03709003       0.31114996       9.25726998      -0.54508951      -0.32725808      -0.00605471
Li       8.84970003       0.24060406       2.82010995       1.09618885      -0.40526305       0.42095082
Li       6.92861995       6.58755006       0.46309398      -0.16020901       0.12236229      -0.04049389
Cl       9.29893002       5.31537001       8.32846003      -0.54863026       0.87993290      -2.19039113
Cl       8.90162004      11.16935713       6.83195005      -0.73403628       1.58365545       1.94117788
Cl       7.39616998       8.79336995       9.13918996      -0.10476874       0.18849246       1.87345972
Cl       3.62147998       6.31021995       6.98946995       1.02588028      -0.66800490       1.61709114
Cl       9.09080003       3.58877996       3.52430003       0.50757550      -0.08183320       1.41718911
Cl       8.76021995       6.77003996       1.92162004       0.60604734      -0.58603149      -0.96535847
Cl      10.32760004       7.70917005       5.86858000      -2.36865152      -1.61015482      -0.82618406
Cl       1.14935002       8.67558995       6.62231996       2.55423198       1.12660254       0.77701426
Cl       6.26780005       4.56188995      10.49450001      -0.32230590       0.71437388       1.08089541
Cl       7.04538995       7.20056999       5.13383004      -1.53916173      -1.38054525       1.69151453
Cl       1.79809999       4.48846995       2.78141996      -0.42302509       0.20629892      -0.45748143
Cl       2.27832997       9.37104000       9.77504995       0.61635185       0.50185601      -0.03938184
Cl       2.97304001       6.68329995       4.26993005       0.24951031       1.56692062      -0.31276787
Cl       0.77643201       2.25026003       8.63669004      -0.04455103       0.16839386       2.09529605
Cl       1.35256998       8.53540003       1.59870005       0.77092406      -0.08950640       0.81565178
Cl       2.00509995       1.80539999       1.35800004      -0.08552086      -1.17226749       0.52784435
Cl      10.33149996      11.17019998       0.86021205      -0.17460116      -0.12378528      -0.21311717
Cl      11.36179997       3.87321001       5.87662001       0.49753399       0.81295266      -0.10290941
Cl       6.44082997       3.12785995       6.96556004      -0.13305605       1.21557160      -0.01208937
Cl       5.86567999       8.41371999       1.63642005       0.11445868       0.14080401      -0.39898218
Cl       8.29995994       9.92515005       4.24436000      -0.31273717       0.33530774      -1.50456390
Cl       0.90119399       0.56396405       5.20409003      -0.10949570      -1.00419129      -0.98682003
Cl       4.10389999      10.91250005       3.14722003      -1.83090120       0.42380943       0.44012283
Cl       7.31223999       0.59660297       1.45380003      -1.38434662       0.58188262      -0.71862244
Cl       3.88280997       2.07488004      10.31300005       1.37658661      -0.42178434      -0.88120438
Cl       5.57242004       4.07101997       3.00061000       0.22800256      -0.02295814      -0.57336996
Cl       8.09696996       2.20321005       9.66669003       0.70088392      -1.11616502      -1.04515742
Cl       3.53973004       5.61503002      11.00650004      -0.53172365      -0.77294863       0.19166419
Cl      10.63950000       7.14605000      10.58759994       0.46193509      -0.04069513      -0.09464124
Cl       3.61770996       2.42172003       5.40537000       0.04393689       0.24259055       0.68125887
Cl      10.01529998       3.62718002       0.45742500       0.17263771      -0.63946068      -1.08499229
Cl       4.89217999      10.16200001       6.47265997       0.05434230      -0.21181261      -0.04906659
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.77952712 stress="-0.03226343326879234 0.003963313424726763 0.0041401463009040065 0.003963313424726763 -0.020636253638185657 -0.0035056828673454576 0.0041401463009040065 -0.0035056828673454576 -0.01495410924673006" free_energy=-219.77952712 pbc="T T T" config_type=melt 
Li       4.74312004       4.90272002       9.75894000       1.02819934      -0.41026217       1.37184849
Li       5.20406997       9.88867999       3.04563000      -1.89450346       2.76660976       0.53991939
Li       2.66344999       3.02712997       7.12568004       0.44886745      -0.02415656      -0.38645962
Li       1.16751999       0.79155901       4.15197006       0.83054655      -0.08050504       0.00131201
Li       9.72768000       5.47413998       7.76858001      -5.60257175       0.93048263      -0.49546317
Li       4.91508997       7.36540994       6.77691004       0.00749187      -1.14510670      -0.40318109
Li      10.07319999      10.48109999       5.38794005       0.80487900      -0.04281242       0.31502152
Li       6.64178000       1.85123005       1.29505002       0.02953603      -0.13122597       0.26200058
Li       8.62733003       8.62968995       8.08636997      -0.44793047      -1.61218804       0.40892157
Li       5.63785001       6.74733002       2.30268996      -0.98534741      -2.35128055      -1.01520715
Li      11.36230005       0.92803496       8.13985004       0.31118315      -0.82269521      -0.08515235
Li       3.31522000       0.82243198      10.21120000       2.96857780       2.06407300      -0.30706744
Li       7.82148996       5.52841004       0.01128418      -0.14064653      -0.79346117      -0.39506602
Li       8.05370996       4.64008998       4.06481000      -0.06009110      -0.35379040       0.57781408
Li       2.19706003       4.51545996       1.48348002      -0.02858350      -0.31984904       0.28721364
Li       3.63951995       5.29122005       4.70748998      -0.56606445      -0.48666008      -0.91349214
Li       8.45491001       7.96866999       4.09422001      -0.19735781      -0.28990658       0.01278594
Li       8.58463005       0.46203296       9.97338004      -0.44254486       0.41772309      -0.19108765
Li       7.94220000       8.64808003       1.03069003      -0.48132024      -0.71207308       0.95606066
Li       0.97174299       6.86726003       3.50290998       2.44813392       1.79522231       0.32470324
Li      11.01450004       3.67118005       5.09411996       0.20847472       0.10141355      -0.07235815
Li       4.61415996       8.22512995      10.30229998       0.71222677      -0.19614613      -0.24239383
Li       2.30830001       9.73804004       6.99941005       0.73996284       0.27510035      -0.00869229
Li       1.58897994       6.51445002       7.95397003       0.65755259      -0.14614330      -0.48412315
Li       0.75797097       3.80463000      10.24989997       0.49515797      -2.80896373      -1.89427168
Li       6.70010005       4.43491995       7.16397005       0.26645334       0.14705539       0.53662809
Li      10.07649998       0.79430803       2.66010001      -0.43107025      -0.50724722      -0.75383664
Li      10.71209996       7.02501002      11.27759999       0.86561574      -0.24665810       0.63276881
Li       0.46640394      11.06800005       0.33446900      -1.44067132       0.05581282       1.46700221
Li       4.59289005       1.71768002       3.68026996      -0.13693807       0.08346302       0.01404062
Li       7.76137999       1.17374005       5.91978004       0.33322065       0.05410927      -0.21662111
Li       5.31813004      11.15319995       7.28893001       1.19347230       0.25464740      -0.61683893
Cl      11.27750003       1.69554994      11.42879998      -1.79051395       0.76123723       0.50561317
Cl       6.08048002       6.79964004       8.49062995       1.14217359       0.28367177       0.12910012
Cl       0.60488694       5.16056004       0.01604185      -1.34014347       3.88651979       2.77608001
Cl       8.53394005       3.41620001       6.26219000       0.82571713       0.75231813      -0.17006244
Cl       3.64693000       5.38664998       8.15383004      -2.29614014      -0.13134355      -1.61921859
Cl       8.74006001      10.32489998       7.04931005      -0.59654944       1.44115485       0.28219454
Cl       3.35336005       0.75003597       5.26495000       0.20162835      -0.25644604       0.04226125
Cl       4.32282004       9.30900999       6.54139005       1.38999742      -0.84997599      -1.53710163
Cl       7.67784001       1.52754000       3.49775002      -0.64222886       0.61322566      -0.41757740
Cl       4.89774005       0.36461501       1.80336003      -0.23122558      -0.00862585      -0.08248847
Cl       0.81750004       2.82826002       8.24362997       0.83276207      -2.52373246      -0.04039154
Cl       7.42390001       5.58813997       2.19884995       1.19186963      -0.90358101       0.69862482
Cl       0.34058496      10.24329998       2.29589004       0.30225741      -0.03486345       0.40598609
Cl       1.76516002      11.35940004      10.44869999      -1.32731494      -2.72484427      -0.82576659
Cl      11.44280004       5.18745995       7.78019000       4.51618640       1.39971302      -1.14222883
Cl       8.04186002      10.20570001      11.24809999       0.50650239       1.24336504      -1.02572614
Cl       2.11222001       3.27109994       4.05416003      -0.35316895       0.50095410      -0.12762106
Cl      11.00859995       5.65333997       3.48065002      -2.61087417      -1.90509785       0.11794581
Cl       2.58728005       7.02975004       5.22126994      -0.93904249       0.61572785       0.54125654
Cl       3.69380996       5.96776998       2.21413998      -0.63522524       0.17889607       0.30986067
Cl       9.47536002       6.13209003       9.91909003      -1.34438926       0.41017203      -0.22570787
Cl       8.44694004       7.11798005       6.09965999       0.19895605      -0.58353437       0.38539841
Cl       3.61373002      11.20280004       8.30965998      -0.73136105       1.29147781       1.67783616
Cl       6.75279000       3.15513004      10.97850002       0.27520292       0.37106316      -0.18746166
Cl       5.45926003       4.60398002       5.47334997       0.36046040      -0.28764830      -0.63079027
Cl       3.18570997       3.97928005      11.03270004       0.79296895      -1.31119859      -0.33206355
Cl       8.95987004      10.00210001       3.72572996      -0.49391126      -0.31658351      -1.19298994
Cl       0.39769404      10.37180000       6.83298000      -0.67506703       0.25116006       0.21767991
Cl      10.53060000       1.17111003       4.70814000       0.69495007       1.05146679       0.86079147
Cl       6.31984994       8.42611999       2.76620995       2.55126321       0.86007356       1.12159176
Cl       6.90014005       1.27395999       7.99147004      -0.40882923      -0.01324506       0.38850914
Cl       6.46578003       7.28243997      11.37360199      -0.86082173       0.47394230      -0.13026230
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.48997855 stress="-0.028391369434218126 -0.00287304172351583 0.00017600287405217393 -0.00287304172351583 -0.017985200711274792 0.005987374946970641 0.00017600287405217393 0.005987374946970641 -0.00802493895060087" free_energy=-222.48997855 pbc="T T T" config_type=melt 
Li       5.08984997       4.84516004      10.76339998      -0.15438267      -1.51024282       0.25271765
Li       4.91750000      10.90460001       3.19131004       0.90475572       0.48543714       0.36736025
Li      10.29329995       2.10131002       7.34273004      -0.13378144      -0.82174811      -1.11706485
Li       3.06598001       3.08298005       7.03578002      -0.00090888      -0.10502487       0.38005769
Li       9.81040005       4.00022999      10.64160003      -0.81775739       0.83324774       0.93642266
Li       5.99119001       7.68101997       4.16649002       4.34634543       0.40081246       1.54104135
Li       0.92099303       0.55945102       4.30081998      -0.62500473      -0.05250962      -0.01315487
Li       2.55679997       5.98305003       4.20610003      -0.48944369       0.04860705      -0.66501330
Li      10.27490001       9.59415003      10.40869997      -0.13993538      -0.28105250      -0.22232496
Li       6.84674000       8.75320003      11.45481197      -1.85199125      -2.23597152       2.06365946
Li       0.46343596      10.22940000       7.42213004      -0.44596996      -0.66262881       0.26266082
Li       2.59346996       7.68980998      10.05839995       0.12942164       0.07913205      -0.06854989
Li       0.43556801       6.74576996       1.19348005      -0.18949937       1.53150884       0.17866421
Li       5.59396005       4.14346998       4.26511000       0.33743885      -0.20790010      -0.20039572
Li       1.41319997       3.65219004       1.62118001       3.13751109      -2.37618144       1.84423564
Li       1.55887004       5.51039003       7.56859998      -0.56763850      -0.15295153       1.32183018
Li       9.07813005       9.84566005       2.08607996      -0.36277878      -0.30922892       0.01183639
Li       7.50524000       0.21644905       9.36181000       0.12288274       1.83592114      -0.64789281
Li       4.72001000       1.72026005       0.39027000       4.61696823       0.87859971       0.68432968
Li       4.01983999       7.87669998       1.65811999       0.61344636      -0.00158335      -0.32043819
Li      10.18080005       4.03661005       3.87383000      -1.29408129      -1.74099362      -0.24064470
Li       6.44122996       6.67602002       8.25244004      -0.14949720      -0.44998854       0.64884515
Li       3.15694002       9.60303003       6.12982996       0.69718993       0.00208255       0.47766940
Li      11.29540001       7.54085997       4.75336005      -0.58251556       0.36871362       0.16172070
Li       0.77357695       1.89987001      10.22479996       0.81811786      -0.12556848      -0.34073344
Li       3.13258003      10.89260001       9.52195005       1.97099629       0.05341424       0.60341929
Li       7.78657996       2.49520996       1.07025005      -0.54764251      -0.28410238       0.37988979
Li       9.50388005       6.86613997       7.85488999       0.57422478       0.09750693       0.02012438
Li       1.96822005      10.67030005       1.39397999       0.50693988       0.64828725       0.30732108
Li       6.92947003       2.78596004       6.90672994      -1.53905036      -1.94124962       2.11073143
Li       8.43257002       1.24290004       4.54415001       0.08761903       0.09981140      -1.82488867
Li       8.13596995       9.77349000       6.81857995       0.66553643       0.54253016       0.18769057
Cl       2.98310003       1.37134996       0.26373301      -5.66082003      -1.43378854      -0.35468314
Cl       8.42412004       6.16939995       9.41927997      -0.62732436      -0.77944665       1.06178358
Cl       0.00597587       5.36167997       4.23517998       2.36083361       3.70820932       0.00225970
Cl       4.58060000       1.59366998       7.56396004       0.45292578      -0.33042835      -0.42700857
Cl       4.82732999       6.88554006      10.57970002       0.24180053       1.13045611      -0.09746080
Cl      10.03679998      10.81399998       8.35810001      -1.23222403       0.10690624      -0.41106970
Cl       7.05610000       9.00789001       3.01155999       1.55945805       0.07305560       0.18558998
Cl       9.53849003       8.11444003       6.22992000       1.74237086       0.02728872      -1.48545318
Cl       8.02332996       1.16823995       6.57165999       0.99004763      -1.50765225       0.59696378
Cl       6.69569995       1.09409999       2.69159996      -0.85653943      -0.64979666       0.24661096
Cl       8.73390003       1.49137994      10.90729996       1.54984695      -0.43594787       0.67545994
Cl       6.19585000       2.64841998      10.55329996      -0.94027581       1.17163859      -0.12913675
Cl       1.95892997       8.50578997       1.60316997      -0.68301580      -0.59777860      -0.22733198
Cl       3.56986000       9.04957001       8.47280001       0.48679775      -0.16035771      -0.68525132
Cl       6.90861994       4.42818996       6.08772005      -0.31974606       3.45876725      -1.48703136
Cl      10.10209995       8.12724999       0.89059400      -0.35971072       0.24366979       0.03858944
Cl       0.33801994       4.78314998       0.69875601      -2.83581163       0.88166471      -2.47187020
Cl       1.38495004      11.43390422       8.89200999      -0.97140018       1.72190371       0.14728728
Cl       4.24452004       7.39982995       3.88962995      -4.18554883      -0.74104904      -0.44719797
Cl      10.60890000       2.92116002       9.17360997       0.97688831       0.52002151      -1.13766267
Cl       1.14004997       9.16929997       5.65425001       0.11232738      -0.05114173      -0.72302964
Cl       2.97805002       5.26512998       6.12502998       1.05703547      -0.45189407      -0.25402368
Cl       6.82175005       8.11422003       6.80969995      -2.12569162       0.24471214      -0.52873249
Cl       8.32319999       3.42517998       3.16099998       0.02376293       0.74668267      -0.18572471
Cl       2.43596004       3.78206004       9.13825997      -0.34454981       0.61054698      -0.12549530
Cl       0.47089301       8.11446995       9.37341001      -0.15193531      -0.68611238      -0.14725993
Cl      10.45370002      11.19438113       3.07165002       0.46117801       0.52680989       0.39274561
Cl       0.20665305       2.67756000       5.02352005      -0.02084316      -1.61870346       0.82337126
Cl       2.98079995       0.30431989       3.63227005      -0.31918057      -0.03690845       0.22585977
Cl       7.68773999      10.03279998      10.42219996       1.35597641       0.18210317      -0.88585751
Cl       4.99444996       9.99749997       1.34575000      -1.13823802      -0.41977745      -2.23650439
Cl       3.82674998       4.59563999       1.31941998      -0.23590956      -0.10033923       0.97013759
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.87253358 stress="-0.02274682996672523 -0.0004159839129765936 -0.0028634006703388793 -0.0004159839129765936 -0.013799799193774382 0.0005774181372950416 -0.0028634006703388793 0.0005774181372950416 -0.03091333271688195" free_energy=-219.87253358 pbc="T T T" config_type=melt 
Li      10.94879997       3.76955996      10.23510004       0.05222058      -0.20941021       0.28492475
Li       1.99014996       9.03068995      10.10910004       2.30766798      -0.43253748      -0.51970324
Li       3.83376005       3.47164001       2.50526998      -0.26894948      -0.78856359       0.13906174
Li       5.91434999       9.11254995       5.09287001       2.61668904       3.63337887      -0.28260928
Li       0.57793098      11.44659999       7.63356003      -0.42576639      -0.84699253      -0.27002210
Li       6.07676995       9.72577005      10.68210000       0.65695201       0.21193411       0.35406760
Li      11.40589996       1.01403002       3.84673004       0.16296838      -1.31583806      -0.42329346
Li       0.39008795       3.70368999       6.44625005      -0.50968284       0.52674795      -0.55706051
Li       9.26917001       1.96802997       6.50980000       0.00968949      -0.20721979       0.19092615
Li       5.65991004       0.75902098       0.95648300       0.42484765       0.46186632       0.36448374
Li       3.65808004       7.28789995       2.95787002       0.02328500       0.22651643       0.98024505
Li      10.81890005       4.54611006       3.33170999      -0.44721796       0.20587799       1.09977989
Li       9.38949004       7.91994004      11.04660002      -0.01563321      -0.46127070       0.46192282
Li       8.76054003       2.89492000       1.24743004      -0.09882447      -0.25346220      -0.29128839
Li       4.20273996       0.38649998       8.20100005       0.09677376      -1.03959495      -0.54658853
Li       1.95803002       1.75435998       0.71351604      -0.24708285      -0.05100277      -1.45709556
Li       5.21460002       8.24288995       7.72478004       0.75955544      -0.18090354      -0.47422516
Li      10.23840003      11.06590003      11.31510000      -0.42124739      -0.98408951       0.14450714
Li       7.67472000       5.78997997       6.36194002       0.16746463      -0.19079243       0.07580482
Li       3.26631005      10.35409996       2.79308005      -0.86542608      -0.26097506       1.44445195
Li       1.16592004       5.89989995       0.59046098       0.20194283      -0.04729944       2.00733867
Li       2.44045003       3.20979998       8.64522004       1.28231587       0.69596673       0.87431798
Li       5.50952000       5.79687001       0.51691201       1.08779084      -0.04319489      -0.64191568
Li      11.11330001       6.80621996       8.50669003      -0.13605940      -0.21921989      -0.31609419
Li       0.16549697       8.13511999       2.63029002       0.69087107       0.57622049      -0.11982695
Li       7.91419999       6.20569999       2.79647003       0.30404342       0.63503216       0.05706635
Li       2.33987997       8.32781000       6.25888004      -0.57583863      -0.61141298       3.31077002
Li       8.85309999       9.26101994       8.03667002       0.25995626      -0.11812383      -1.21417525
Li       8.19649997       9.77027003       2.66205995      -0.24139150       0.15555356      -0.04857246
Li       6.16814003       3.19232005       9.58232004       1.16750418       0.49547050       1.15592323
Li       6.62422005       1.28657001       4.94216998       0.29200468       0.51535091       0.20817740
Li      10.47700002       8.36469999       5.66380995      -0.71972755      -0.01063705      -1.05950326
Cl       5.68950003       0.05055404       6.40262996      -0.62146866      -0.87886954       0.39922046
Cl       7.95173003       7.02572997       8.24493002      -0.39953938      -1.67640488       1.89968118
Cl       7.49666001      11.40109998       0.04477455      -0.82520669       1.36889586       0.72664974
Cl       9.78158000       7.49138003       3.41343001      -0.94483671      -2.89995615       0.69017666
Cl       2.32259998       9.75620003       8.12857996      -2.22975087       1.33492899      -2.37381025
Cl       1.90458997       1.54842001       2.70317005       0.05729370      -0.14565841       2.05478214
Cl      11.03860002       1.49478999      11.13410000       0.56311803       0.82714438      -0.16775855
Cl       0.91997901       2.14584004       7.92086005       0.56942720      -1.60394782      -0.38853282
Cl      11.24129996       8.87502004       7.53025001      -0.65353433      -1.49875818       0.79879181
Cl       4.61080998       2.40806997       8.59508995      -1.13381772       0.50099687      -0.45728983
Cl       8.09221996       4.17455996       2.83042001       1.32059632      -0.04603936       3.86054694
Cl       8.04504995       8.63687003       6.08831998      -0.68056314       0.55982659      -2.40462209
Cl       0.31975505       9.30103005      10.92949997      -2.43144967       0.20838536       1.43637216
Cl       7.39393995       7.42759999       1.01803999      -0.43960165       0.47733278      -0.48723480
Cl       1.03945997       5.72938002      10.12040003      -0.02490936      -0.19998203      -2.35712091
Cl       6.57237995       0.02842419       3.19718996      -0.04788224      -0.55586780      -0.35222392
Cl       3.58393997       3.26782001       0.35178098      -0.84597767      -0.75540829      -1.20817880
Cl       7.34440004       3.12388999       6.15324002      -0.21315044       0.56185628       0.27551183
Cl       8.86584999       9.63944998      10.02149998       0.03478243      -0.11404937      -0.19572859
Cl      10.62840005       4.22620001       1.24945004       1.21144624       0.73077750      -1.22097668
Cl       0.71440796       5.87420999       5.44495994       0.07087713      -0.32228991       0.19815233
Cl       4.53811005       9.71862998       9.11442000       3.82313513      -0.41027770       2.36959743
Cl      10.33869999      10.00320001       2.89813997       1.10788446       2.90096452      -0.90162915
Cl      10.26530005       3.97073996       8.12312996      -1.28792448       1.10807165       0.04444134
Cl       6.64498002       3.84699005       0.84101901      -1.26590891      -1.09635924      -4.00561720
Cl       4.87807995       7.64184996       5.41935998      -0.98275779      -3.76330592       1.52036544
Cl      10.02339996      11.09640005       6.03048005       0.24786994       1.34585959       0.31322449
Cl      10.49649996       2.60861004       4.75580997       0.20349039       1.34302047       0.01130951
Cl       2.48731004       8.64558999       4.45156001      -1.05518270       2.01284259      -3.93834981
Cl       3.94141995      10.91959999       1.01553998       0.15274032      -0.07643433      -1.74484008
Cl       2.20236995       7.76422003       1.51039999      -0.73818709      -0.00873828      -0.94025625
Cl       4.30398996       5.47900003       2.12355004      -0.13270713       0.70406868       1.61355096
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.77048971 stress="-0.026737527451005983 0.0009645430596961062 -0.00822520758879869 0.0009645430596961062 -0.030136021592857335 -0.004039885881475472 -0.00822520758879869 -0.004039885881475472 -0.025321163499279542" free_energy=-217.77048971 pbc="T T T" config_type=melt 
Li       3.31328998       1.23627002       8.45834998      -0.22789565       0.31239509       0.92592297
Li       5.52397004       5.27110998       8.04293995       0.27132012       0.38295974      -0.00052537
Li       8.46480001       0.46541905       9.10179003       0.09351151      -0.26804157      -0.57369174
Li       2.37568005       4.93728998       2.72047997      -0.12322807       0.39364501       1.72575985
Li       1.76407000       2.41725997       0.81971299       0.39347073      -0.24844555       0.06558224
Li       1.68022002      11.13580003      10.99860000       0.57613057       1.45110677       0.53018392
Li      11.25869998       7.03103002       3.21102001       0.55910946       0.28113155       0.26791498
Li       3.80569996       8.59696000       8.89090999       1.08526322      -0.67503443       0.98817555
Li       9.49808005       5.22546002       5.17020999      -1.56948238      -1.88607430      -0.06151496
Li       9.98016002      10.44179998       6.85349006      -0.43982393       0.49475781      -0.11853786
Li       4.48682998       5.99238998       0.19307705       0.91404404      -0.38035219      -0.61618760
Li       8.74173001       5.21438002       8.46228005       1.07565095       1.01865035       1.29222382
Li       5.85480005       3.46461000       5.29027998      -0.21202736      -1.38185513      -0.12815895
Li       6.21374001       2.92724996       0.56753196      -0.15481268       0.61818275       0.26960231
Li       3.49481998      10.82550003       6.20678004      -0.33762122      -0.17264847      -0.03779075
Li       6.69730999       7.80368994       5.41016998       0.03414722      -0.35945925       1.16739696
Li      11.13690003       8.56091000       9.33302995      -2.31257090      -2.27630147      -1.84870650
Li       9.15285996       7.64488995       0.85698600      -0.17064104       0.15928022      -0.25379085
Li       3.38327999       1.09827001       3.91278998       3.08844136       1.38221831      -1.94201866
Li       7.96127003       1.35400004       4.85339002       0.44625148       0.07158738       0.01344095
Li       0.00024855       2.71738003       8.47266004      -5.80329094       0.79676670      -2.12427795
Li       7.11378997       8.43698996       9.79748004       0.07119185      -0.05569340       0.24879139
Li       5.70094001      11.38149996      11.25120005      -2.61324949      -1.18524803       0.26472709
Li       2.22864000       5.31674997       9.98772002      -1.70936766      -1.09856216       0.75624113
Li       1.94230997       6.55432004       6.18239002      -0.87847144       0.00832896       4.20907084
Li       0.55802303      10.52449997       3.51711995      -0.28544970       0.28253656      -0.11645895
Li       6.11478997       6.11284999       3.28786003      -0.36290990       1.30489600       1.96808669
Li      10.20469998       4.81783998       0.34869800       2.01948825       0.35120134      -2.22667017
Li       3.34810001       8.80576994       1.54893006       0.09283035      -1.20897470      -1.16268009
Li       9.41051003       1.36595006       0.73639301       0.04449579       0.12320710      -0.05153715
Li      10.85049996       2.00490999       5.13687003       5.44786467      -6.28071853       3.45147969
Li       8.08395995       9.70750000       3.40206994      -1.37037874       1.56920648       0.21601994
Cl       2.15869001       6.70393004       4.38794999       1.06868663       0.26211620      -4.31292459
Cl       3.71349000       0.47638005      10.83189997      -0.67127063       0.57929176      -0.35985791
Cl       7.54718000       0.19570604      11.14399997       2.37066136       1.62457310       0.91731373
Cl       6.65025004       7.72128000       7.83029005      -0.67287971      -0.20957680      -1.18093328
Cl       0.12241696       0.52730403       0.98048405       0.06791612       0.71499514       0.43181599
Cl       6.30096999       5.43843998       5.24091995      -1.08902124       2.14124192      -1.03258744
Cl       8.96212002       9.68741997       9.56146995       1.06727058       0.85270999      -0.95635817
Cl       0.09465013       6.22190005       8.90579005       0.89605144      -0.65971594      -0.36034699
Cl       7.81008002       0.12388805       6.86621999      -0.63065367      -0.00333763       0.09273335
Cl       9.16991996       3.52639994      11.10549994      -2.39942902      -3.82969596      -1.75298554
Cl       9.83509996       3.11351000       4.47267997      -5.18282286       6.19885577      -3.46231971
Cl       2.52347996       2.99429994       3.23767996      -0.11403617      -0.59293739      -0.58245602
Cl       4.10427005       1.87208002       6.57056997       0.77181614      -0.02483964      -0.50355703
Cl       0.78570902       9.53673003      10.41339998       1.50248623      -0.13028887       1.76254251
Cl       1.56948998       2.64134996       9.13011999       5.88704612       0.03268307       3.00354083
Cl       1.98406002       0.32620497       4.76926995      -4.06924653      -1.89087495       2.63069304
Cl       8.89555004       6.85282994      10.02949999      -0.80274441      -0.66764758       1.25558352
Cl       6.27595001       5.48371999       1.55865005       0.27172637      -1.08633786      -3.48077832
Cl       7.57189000       4.26244995       7.17859996       0.31977303      -2.07802938       1.07663547
Cl       9.66102003       8.64958002       3.30659003       1.84923637      -1.23221622      -1.72360131
Cl      10.23690005       5.96253000       1.70921995       0.35378833       1.89604990       3.21769557
Cl      10.95799994       1.09835003       7.27547003      -0.25857271      -0.63873774      -0.03221567
Cl       3.61104004      10.30660000       2.79828999       0.29479309       0.94062356       0.32204715
Cl       2.57793002       5.93657006       1.06085002      -0.88811983       1.60895001      -1.52557200
Cl       4.96356003       9.04192998      10.77909996       0.36683223      -0.44603248       0.58871438
Cl      10.65969995       6.73813005       5.22925997       0.96454852       1.06641252       1.85071231
Cl       9.83236000      11.29490005       4.40519995       0.14458028       0.55574490      -0.08331692
Cl       6.33293997       8.40990995       3.42376002      -0.39205183       0.34411620      -0.38749549
Cl       6.83897995       2.56511994       3.14419999      -0.45176722      -0.65950270       0.16853235
Cl       4.14412000       3.67880998      10.74830003       0.84360521      -0.23383282       0.54725829
Cl       3.66209002       6.26572994       9.07207004       1.66647779       1.10438734      -1.37193771
Cl       2.41066995       9.12456004       7.59149999      -0.72667047       0.93620366      -1.85464715
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.50178084 stress="-0.012384624599060935 0.0012858142000420332 0.0056765982176538825 0.0012858142000420332 -0.009910232625958438 0.0029411156915066625 0.0056765982176538825 0.0029411156915066625 -0.006899676731320833" free_energy=-225.50178084 pbc="T T T" config_type=melt 
Li       1.64686997       4.95671001       4.53672001       0.24639917       0.03151118      -0.48656034
Li       4.57784995       9.19773998       2.03722997       0.11154816       1.03208314      -1.72998589
Li       5.20194999       5.61388003       2.25440001      -0.05211068      -0.17265708       0.16580949
Li       1.73954997       7.44690997       0.64504804      -0.11426781      -0.25306781       0.05321678
Li      11.01860001       0.20837498       5.44943995       0.13895489       0.06978738       0.41330298
Li       0.52928495       4.24897999      10.35090005       0.08193962       0.30642792       0.00165167
Li       4.11509004       9.41843001       8.36332004      -1.81600369       0.56345522       0.95089326
Li       4.85319994       4.82404995       8.30212004       0.45341184      -0.03279052       0.02996479
Li      10.69859997       3.47277004       6.59223998      -0.64682867       0.37447424       0.02711537
Li       4.34414005      11.07610002       4.52199001      -0.18421747      -0.14329556       0.12350426
Li       5.43355998       1.07799004       9.80426001      -0.81832918       1.62834809      -0.95847012
Li       7.10504995       8.81109006       9.18929998      -0.11578022      -0.01537005       0.16436385
Li      11.20910000       2.48956002       1.60804997      -0.45280114       0.44867772       2.62877694
Li       7.11580001      11.25399997       0.86505399       0.14235605      -0.01721484       1.60513763
Li       1.16580001       8.79075999       4.60466994       1.74000087      -0.55421609      -0.66347990
Li       7.93516002       9.48692003       6.21321999       0.16650198      -0.09886002       0.30123290
Li       2.49853002       1.00410000       8.19693000      -0.56222011       1.73241006       1.37217817
Li       7.40892996       2.12315005       6.72391996      -1.52527013      -1.82752751       3.11268513
Li       3.89520996       2.39852997       2.83738995       0.62056549      -0.05140256       0.33992505
Li       7.58398000       3.68799998      10.35189996       0.28172915      -0.41067607      -0.41558729
Li       9.77797999       6.94323003      10.54080000      -0.97376036       0.77216400      -0.72518288
Li       1.69236998       6.76851005       8.34299995       0.54179030      -1.45663721       0.43575480
Li       3.69792002       4.06678002      11.38110238       0.44049978      -0.02189347       0.06446111
Li       9.27212000       6.26157001       7.12134998      -0.09602490      -0.38835615      -0.08826331
Li       2.01584003      11.11100004       0.59683902       0.46681805       0.22884459      -0.14784177
Li       9.16331000       5.22332996       2.47658005      -0.00997753       0.13375600       0.23650803
Li       4.72651002       7.60495000       5.78165003      -0.55298459      -1.46379727      -0.75555010
Li      11.00250003       9.28399998       7.66688004       0.27834889       0.04172395      -0.26330444
Li       9.55033997       9.21017999       2.75704002      -0.04385045       0.01338434      -0.11882089
Li      10.21349996       0.95536799       8.88650003       0.55137034       0.52804921       0.60775206
Li       7.94061999       1.91122997       3.12120001      -0.96203684       0.62785414       1.18885400
Li       6.83252005       4.80284997       4.94536003      -0.50848661       0.01450790       0.56031581
Cl       7.08361003       6.30466998       3.44167995       0.19385385       0.52048726      -0.74887801
Cl       6.93430005       5.85543001       7.07148002       0.28315273       0.46181761      -0.15941061
Cl       4.05663001       8.56205001       3.80558004       0.60344184       0.74267730       2.83712894
Cl       3.48666005       9.62153005      10.58249994      -0.11426187       0.03920631       0.31586663
Cl       8.77506998       8.33703004       0.83149701      -0.18923959       0.32504750      -0.16793671
Cl       1.67869000       8.58570002       7.48822001      -0.26630525       1.20790362      -0.65040013
Cl       5.55114004       8.97061001       7.04572998       2.71158044       0.75604418       0.10377270
Cl       3.71156997       2.22147001      10.04830003      -1.23262535      -0.14937486      -0.24522998
Cl       2.51408005       5.77880998      10.38539996       0.65106427      -0.06062745      -0.10056069
Cl       7.74654005      11.27320711       3.05122995       0.82409504      -1.23623017       0.46886882
Cl       6.19368004       5.25853000      10.56389995      -0.35243151       1.36317059       0.20965874
Cl       0.46183600       1.77141998       7.34535995       1.04979096      -0.16609102      -0.45149540
Cl       3.24399002      11.18420005       6.95747004       1.20656672      -0.75779236      -1.77607161
Cl       6.38687001       2.92362002       8.53219003      -0.99688995      -0.85891490      -0.29268731
Cl       9.20829996       8.24437997       8.40053000      -0.95151138       0.21130643       0.17810545
Cl       6.65813998      11.17040003      10.39250002       1.47611656      -2.04878133      -0.97947715
Cl       9.30093994       2.80963997       8.53774000       0.22569160       1.02164033       0.75004367
Cl      11.15910004       6.05134997       0.18561403       0.47341486      -0.92230732       2.45210298
Cl       9.16973997       2.75143995       1.71258999      -0.41333315       0.95650295      -0.82111289
Cl       1.84301005       2.59461994       3.32146000      -1.30322701       0.23083981       0.57575558
Cl       3.40116002       5.75470003       6.62992994      -0.35034232       0.01900875      -0.05510142
Cl      11.17709999       5.90775998       8.74776000      -0.60806557      -0.82649173      -1.47701168
Cl       1.45390000       9.53147997       2.05589004      -0.73852977       0.50401499       0.00180461
Cl      10.34829995       5.39486998       4.68158999       0.73319274      -0.03950081       0.36250652
Cl       4.71222002       0.21681992       2.33441999      -0.44412668      -0.53291913      -0.32345092
Cl       8.10830997       3.12778005       5.39205000       3.31207217       0.91754184      -3.16270839
Cl       9.63368998      11.23740004       7.28779000      -1.15315290      -1.04243518      -1.01180818
Cl      10.68909998       9.11837999       5.09268004      -1.52766284       0.54665127      -0.24585588
Cl       0.87812705       2.24710001       0.15521993       1.52193830      -0.82880176      -2.90341782
Cl       5.33362998       3.44542005       1.59674998      -0.02252652       0.32769432      -1.10282963
Cl       2.44929999       6.63149998       2.66541004      -0.45537984      -1.89506583      -0.15887688
Cl       5.27916994       3.20939002       4.59401000      -0.97364481      -0.42591807       0.54834948
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.00214158 stress="-0.01546714790259908 0.001072844415331516 0.001607757207637816 0.001072844415331516 -0.017500204656587633 0.002819789816770743 0.001607757207637816 0.002819789816770743 -0.014464174635396104" free_energy=-225.00214158 pbc="T T T" config_type=melt 
Li       6.52836995       7.45011997       9.88793997      -0.57076402      -0.75629941       1.09349471
Li       8.85051996       4.14044994      10.41159997       0.58877279       0.44304852       2.57667133
Li       1.03092997       1.75478003       5.54276997      -0.32785500       0.03220467       0.05618262
Li       4.78814004       2.26482998       2.26806004      -0.09681162       1.30213285       0.45890783
Li      11.27420003       6.32119000       0.68159696      -0.60392823       0.05853047      -0.44990553
Li       4.51794003       5.33247999       1.11924998      -0.81663600       1.42740674       0.14275993
Li       4.98349997      11.31089995      10.64770005      -1.30064022       0.07592160       0.24002983
Li       7.96611002       9.19782000       6.95282999       0.53657335       0.20886265      -0.80446794
Li       1.18101998       9.22788003       6.63852002      -0.12231902      -0.44521035      -0.11036249
Li       9.93203996       7.39110002       9.06728003      -0.05798223      -0.08398333       0.23792396
Li      11.38549996       1.86803004       1.05197002      -0.99993034      -3.60695954       3.58297108
Li       8.33817004      10.03869996      11.21450002       1.58624068      -1.15836642       0.42333468
Li      10.13020004      10.94430001       4.21142003      -0.41313279       0.12322260       0.06055105
Li       5.42270995      11.17139995       4.78055997       0.49521212       0.43857829      -0.77595553
Li       1.42857002       8.05996005       3.33368998      -0.02214740      -0.22514991       0.04395982
Li       1.90541998       5.21343995       7.29420003      -0.18646992       0.16992555       0.04746177
Li       4.30757003       9.64831004       1.90015994      -0.05650935      -0.44950120      -0.03603449
Li       2.96310002       7.65035004       9.93636005      -0.58366433      -0.37547345      -0.20261793
Li       7.34881998       1.52620006       0.59798499      -0.88777735       0.17276106      -0.00373673
Li       5.25207997       3.87157004       5.06860001      -0.01348799      -0.14778919      -0.13240276
Li       8.76204002       5.18955997       7.24891004      -0.38761452      -2.83563823       0.94536343
Li       1.87829997       3.38269004       9.94077999      -0.17221496      -0.42969724       0.16566700
Li      10.56580004       1.67113997       8.09493001      -1.69284129      -0.31569165      -0.12586213
Li       8.92257995       2.92156000       3.83827995      -0.50293739      -0.02527658      -0.03735913
Li       7.52019996       1.92672004       7.49873998      -0.65009568      -0.50738948      -1.60238729
Li       5.51523999       4.04413004       9.17015005       0.12875910       0.12412210       0.14737810
Li       0.93660497       9.56220997      11.35980003      -0.01941530      -0.22859198      -0.37284519
Li       9.79544994       6.65888000       4.70000999      -2.53722715       1.57680019       0.54330917
Li       1.37831004       4.45880005       4.04722001       1.07455599      -0.33197416      -0.13284394
Li       7.14142004       6.35092995       2.51954003       0.90719122      -0.60456228      -0.28908756
Li       3.37062996       1.27579003       7.49939998      -2.02288552       1.09316347       0.92730240
Li       4.60050004       8.16253005       5.58884996      -0.22847931      -0.52629473       0.19031447
Cl       3.31711000       9.55402998      10.77160003       0.85854409       1.51294200       0.15580437
Cl       9.71471997       2.36151995       5.87393003       0.27532591      -0.04432094       1.03757799
Cl      10.38139996       5.22752004       9.65144999       0.14571559       0.58300619      -1.35969204
Cl       8.83226997       2.26045005       1.75988003       0.70657124       0.56818153      -0.78647741
Cl       6.41228001       4.31062996       7.09694998      -1.07038942       0.73118202      -1.53396495
Cl       4.76006998       6.32274995       9.85852997      -0.46027789      -0.76656472       0.01279690
Cl      10.60770004       9.10313995       5.32840994       0.85526510      -0.03808561      -0.10221538
Cl       7.03835994      11.43590004      10.53520004       0.08692536       0.84095850      -0.99051341
Cl      11.35208514       5.93963996       4.04594002       3.65699535      -0.83402410      -1.50114014
Cl       5.57010001       7.54112996       2.01324005      -0.97209798       0.67602157      -0.38205537
Cl       6.45475999       2.39103004       3.80785994      -0.65365814       0.12848562       1.06189014
Cl       8.37296001       5.19430997       3.85426001      -0.52525071      -0.06984820      -0.03104536
Cl      11.18170003       0.95922698       3.01635000       1.44136843      -0.12324734       1.06307352
Cl       9.08812003       7.37918003       0.36606604      -0.23056786       0.01742075       0.47188452
Cl       0.94239099       2.27281004       8.20790005       1.48916438       1.07463364       0.04191120
Cl      10.68270004      10.91030005      11.15800004      -0.39352453       0.08808957      -0.10240068
Cl       0.59687399       7.61998999       9.68411000       0.73375689       0.88257225      -1.17184277
Cl       5.79265001       3.82718998       0.96119700       1.80281157      -0.99183510      -1.50461260
Cl       3.96246000       2.49125994       9.52653003       0.05916362      -0.25730761       0.20229352
Cl       1.67038000      11.33299998       6.52237001       0.01091658      -0.27733863      -0.18172202
Cl       2.81248002       7.13514002       6.55718003      -0.11470248       0.23376898       0.42975001
Cl       7.88619997       8.60402005       9.07133002       0.88949182       1.38355370      -0.62769134
Cl       1.62702003       7.60191002       0.95182896       0.22040144      -0.35321259       1.88319315
Cl       2.69818000       3.68953000       5.95751002      -0.02445483      -0.51333111      -0.44712214
Cl       3.40885003       9.27950999       4.23073998      -0.03643938       0.64857648      -0.86891363
Cl       4.90603996       0.39417600       6.73794995       2.29170049      -0.96815718      -0.18775101
Cl       5.09682002       0.29614700       1.75968995      -0.17232310      -1.33855917      -0.49252306
Cl       7.98512995       3.19516995       9.00213999       0.04962625      -1.57407938       0.60815533
Cl       8.87535996       6.96034999       6.56318995      -0.46225792       2.20349509       0.40160560
Cl       7.86999005      11.12190005       4.75110996      -0.47689140      -1.00772631       0.66599069
Cl       0.04686804       3.00163995      11.18259998       1.03230243       3.31544360      -3.07180970
Cl       3.56717002       4.35848003       2.90191997      -1.05674921       0.07647487       0.49985156
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.20003916 stress="-0.009848742932050155 -0.0035501313189552695 -0.0024588545537713043 -0.0035501313189552695 -0.011967742720166399 -0.0007548567581744606 -0.0024588545537713043 -0.0007548567581744606 -0.021923343434172276" free_energy=-223.20003916 pbc="T T T" config_type=melt 
Li       9.74373996      11.39939995       0.43900798      -0.01922791      -0.69013793      -0.84116692
Li      10.84050001       8.22907997       9.91848001       0.89510004       0.24199305      -0.17374206
Li       8.85618996       5.68081997      11.07379995      -0.08918893      -0.15063519      -0.32368820
Li      11.06850001       1.90230995       7.94818997       0.26910783       0.41693362       1.18175197
Li      11.25689998       4.31176997       5.45741004       0.00375845       0.67066614       0.13230717
Li       6.01835004       4.92166004       6.25529000      -0.17153872      -0.50640914      -0.27380094
Li       2.28786000       2.57132006       6.52892001       0.19705759       0.51119043      -3.43738126
Li       4.06780000      10.45370002       4.11665996       0.08582506      -0.04539021      -0.16754844
Li       9.47792000      10.48680003       3.64252003       0.52539800       0.26542325       0.82127203
Li       9.90125998       3.46698001       1.93935001      -0.20265996       4.10753766       0.97405613
Li       3.12783003       5.79147996       8.63377995      -0.81748951       0.83993873      -0.02687381
Li       3.95591997       2.09507999      10.31850004      -0.05104276      -0.23034625      -0.32203486
Li       6.59487000       9.02483995       9.70499001      -0.46276568      -0.70253229       0.23160879
Li       5.97131003       5.58036994       9.53643001       0.24532734       0.39732278       0.75940480
Li       1.93571996      10.67269998       0.41467298      -0.23676828      -1.13827234       0.96783009
Li       7.73486999       1.78143001       9.61064999       0.13674173       0.38597413      -0.21904735
Li       6.14600996       5.01400997       1.99491004      -0.04623715      -0.03565891      -0.24116980
Li       5.02318002       0.62863302       7.09937995      -0.03337613      -0.03389495      -0.04120898
Li       7.27148997       8.31700996       6.31529003       2.29471023      -1.18833788       1.19641834
Li       0.18852596       8.39238004       6.36291998       0.23606778      -1.02105329       0.29987671
Li       2.71179005       6.95822004       4.27950994      -0.06949440      -0.09629863      -0.08870177
Li       1.87679001      11.25790001       8.55154999      -0.07945643      -0.27684752      -0.38308781
Li       4.47130001       1.88078004       3.39303999      -0.50100621       0.55078503      -0.32534739
Li       6.55816000       0.06529343       1.24886995      -0.17640690      -0.29771380      -0.20158808
Li      10.23690005       7.83958002       1.74586999       0.06734214      -0.06383738       0.39030447
Li       3.72574004       8.44075999       7.02084997      -0.41415063       0.14459055      -0.81538319
Li       3.15930005       7.72681002      11.29849995       0.38011545       0.23932595      -0.07338431
Li       9.32496999      10.60169997       8.13371000      -0.13309348      -0.41136388      -0.48937778
Li       1.99602999       4.47857994       1.65864998      -3.22389484       0.29477819      -0.46428994
Li       7.28097999       2.05853003       4.85459996      -0.16055447       0.25912258       0.25464862
Li       1.15968003       4.12240998      10.11090004      -0.82362461      -0.49327932      -1.08818048
Li       6.84328994       8.27329001       2.55939996      -2.16752160      -1.77695002      -0.12153166
Cl       0.11901986       3.62266998       3.26470001       0.95539209       0.92180883      -0.09765270
Cl       5.74099001       0.76042100       9.23171002      -0.35829514      -0.10526746       0.36843232
Cl       3.28043003      10.50580001       6.28610999      -0.70958538       0.53074397       0.31950179
Cl       4.24690003       2.14396001       5.63240998      -0.08830257       0.28020310      -0.33429635
Cl       1.78543001       9.31199002       9.95489997       0.06872635      -1.74086393       0.76815283
Cl       5.86136002       7.33826001       0.01581990       0.36584558      -0.12273890       0.45263264
Cl       3.43527004       6.09960003       6.64862005       0.04597148      -0.74418166      -2.71967367
Cl       5.50313004       8.51049996       5.75692995      -1.92535463      -0.29560951      -2.06614433
Cl       3.63971002      11.11667612       1.89191002       0.17628535       0.06846807       0.47737390
Cl       8.79493001       5.85340003       1.83894997       0.07405611       0.47932877       0.38950453
Cl      10.07429999       0.68386999       9.33521997      -0.69050343       0.67540409       1.19928042
Cl       1.95233996       2.35368996       8.31246002      -0.65299040      -1.04178384       2.88113874
Cl       7.76735001      10.28809998      11.13999997      -0.05634145       0.72077294      -1.16391647
Cl      11.37410000       9.69453998       7.79505000      -0.80342071       0.83213345       0.73175177
Cl       0.09391985       5.56886004      11.22669997      -0.48250712       0.74503215       0.70580481
Cl       0.27455701       5.15359997       7.82456995      -0.17663614       0.52806799      -0.15446314
Cl       6.71432997       4.17262995       4.17374004       0.02727911       0.51077173      -0.64789296
Cl      11.27060002       9.83301002       0.87833995      -0.32736619      -0.62495485       0.35672687
Cl       7.85604995       6.95300001       8.81309000       0.21614644       0.28260840      -0.33616579
Cl       2.29030006       0.58894002      10.51059999       0.60456420       2.08279685       0.49082024
Cl       7.30392999       3.98845996      11.02089997      -0.38572056      -0.49680556      -0.42807361
Cl       7.18286994       2.87796995       7.01678004       0.35066006       0.09077869       0.62143623
Cl       0.00712333       2.31701000       6.08176000      -0.38985770      -0.97174101      -2.19616627
Cl       9.87204005       1.73689002       1.42207997      -0.62439220      -3.51885919      -0.81271716
Cl       8.33436998       9.42827003       2.26980995       1.56691749       0.58546503       0.69400822
Cl       0.09884560       8.01099004       4.43772996       0.10790674      -0.43863688      -1.83337341
Cl       6.21217995       0.51461502       3.42608004       0.88997650      -0.09388787       0.36340349
Cl       3.56572002       7.32010001       2.17548999      -0.53147036       0.85410265       0.62349024
Cl       4.18834003       7.80941005       8.86369001       1.21988872      -0.21419304       2.09621776
Cl       3.79105996       4.33769999       2.13486998       3.20455485      -1.54583001       0.82357811
Cl       3.22636999       4.27532995       9.97001998       2.04021675       0.23173276       1.64491627
Cl       8.18998998      10.12440004       6.27103997       0.83130308       1.36851109      -0.30857941
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.06935538 stress="-0.01578456086656186 -0.006969979716982774 -0.009939843293961016 -0.006969979716982774 -0.01663854618393393 -0.002281448994165725 -0.009939843293961016 -0.002281448994165725 -0.00904670312987256" free_energy=-224.06935538 pbc="T T T" config_type=melt 
Li       0.46487598       3.09218999       6.77191998       0.20384557       0.62986981      -1.11692836
Li      11.04429995       7.37492002       1.40778000      -0.55461841      -0.00684200       0.91238996
Li       6.47607999       6.44895000       1.66982995      -0.25178582       0.11212189       0.11301714
Li       6.46192000       4.16492997       3.91952994      -0.03702718      -0.22725682       0.09359867
Li       6.30585997       7.21595998       6.38577999       0.13766362       1.09645936       2.15133411
Li       4.13493001       2.22319997       0.16469596       2.06954966       0.04735935       1.77380751
Li       8.78386996       2.33200997       1.16861002      -0.20110724       0.00228637       0.28558592
Li       1.24788001      10.28929995       6.00859004       0.42125251       0.22915103      -0.04317478
Li       9.04287006       9.51705996       7.85633999      -0.40797665       0.35495748      -0.28105652
Li       5.30784005       4.85707006       7.87476000      -0.74367306      -0.62411830       0.03787225
Li       2.34803004       6.21264001       6.23053002       0.01222567       0.19559674       0.31447939
Li       1.65112001       1.57386005       1.95192002      -0.59050942      -0.09672945      -0.25703763
Li       7.13220998       5.27853001      10.71969998      -0.24247126      -0.12061495      -0.22900608
Li       5.54210997      10.71910005       6.79055001       0.24121683       0.29312412       0.04711909
Li       3.30329004       9.98591004       0.15054400      -1.13458009       1.89192390      -0.26778797
Li       0.58155805       7.57153002       9.30651995       0.03430814      -0.67079228      -1.31904994
Li       4.49684002       8.45873999       3.18001005      -0.18053793      -0.34407610      -0.01153562
Li       9.92670999       1.92865006       9.64499995      -0.89405912       0.24400650       0.98927240
Li       8.00134995       8.68036998       3.96930005       0.28599464      -0.15100272       0.86212959
Li      10.39970005      10.00479997      10.95080003       1.32301872      -0.18414970       0.49075796
Li       6.64050999       9.58193002      10.52140003      -2.11609146       0.68611606       0.25220599
Li       2.68790995       0.97330695       8.95017997      -0.05980284       0.24697954      -0.49020814
Li       9.77536005       4.55013998       3.30359006       0.40507987       0.75620072      -0.05610313
Li      10.49450001       0.23406999       2.37517001       1.34800562      -0.00875604       2.10906710
Li      11.21930000       7.39822002       5.20288995       0.97721424      -0.66913333       0.35569901
Li       2.46142003       5.04487996       2.79798997      -0.76757732      -1.09934503      -0.93670128
Li       6.98364002       2.47985001       7.58983996       0.63853999      -0.52291049       0.46994056
Li       3.63844001       6.73014002      10.54040001       0.38645143      -0.27514597       0.19742951
Li       0.67793699       4.19946003      10.83229996      -0.30950787      -0.25784243       0.52924816
Li       5.28856997      11.25139999       2.44749001       0.31441861       0.32659850      -0.20228664
Li       4.23570997       1.59035004       5.06553996      -0.05272855      -0.02731410      -0.91608723
Li       9.39306999       5.50631001       7.90160005       0.37766543      -0.34804511      -0.32328253
Cl       1.83185003       8.35892005       7.09943005       0.45548228       0.54328206       0.84723816
Cl       9.83798999       0.24687204       0.58610398      -3.36919575      -1.29940671      -2.57686428
Cl       8.02775001       4.48465005       2.10280004      -0.84975434       0.42639553      -0.80055829
Cl       2.60567999       2.51092004      10.50849996      -2.32460493       0.70052818      -1.58220521
Cl       0.55035205       8.25250000      11.24070003      -0.51067574       0.99027096      -0.56473267
Cl      11.27050005       2.32184001       1.01945996       0.77164381       3.03110685      -0.19022513
Cl      10.27899998       5.49883002       9.89101997       0.97880481       0.38610094       0.36472122
Cl       6.32735996       6.63834003       4.59277999      -0.10603853      -1.51069041      -2.83432342
Cl      11.01769995       1.63931994       7.95227997       0.15772388      -0.91166069       0.11323279
Cl      10.80330003       3.39123001       4.63448005       0.15989944      -1.65676876       0.54260528
Cl       4.67411998      11.43600000      11.20989998       0.91601425       0.51461964      -0.15073259
Cl       3.08766000       6.42739005       4.11374998       0.36125907       0.95218215       0.67527928
Cl       6.75535995       8.68808005       2.30276998      -0.72315109       0.73758497      -1.13919178
Cl       8.55743002       9.42243001      10.38029996       1.42961988      -1.12768615      -1.58403028
Cl       0.12641994       5.64762996       6.40101005      -0.16250744      -0.29659202       1.22950695
Cl       1.16391000      10.96699997       1.69910995       0.45337589      -0.80224885       0.34367959
Cl       6.95960997       0.40781895       8.52173002      -0.47457335      -0.41250461      -0.42098048
Cl      10.82239998       9.37689000       5.50614997      -0.63426753       2.70038269       1.44966290
Cl       7.24847004       9.46433001       6.14994003       0.20295442      -0.41398045       0.24243998
Cl       9.88269999       7.56778005       3.70459005      -1.48970779      -0.95547365      -2.34436614
Cl       5.67580996       7.64540997      10.74140002       1.44983407      -0.67553327      -0.91752321
Cl       4.03606997      10.52390005       4.17119004       0.17382768      -0.08145904       0.55873983
Cl       6.69963999       1.59516997       2.82970005       0.24910806      -0.20877386      -0.02367860
Cl       3.28597003       8.22470004       0.77442702      -0.05960510      -2.64276720       2.16151920
Cl       7.94523001       3.52528000       9.32633997       0.27849225      -1.09219133       1.31341349
Cl       7.22168994       5.52658000       7.48747002       0.57171737       1.53310355      -0.42815967
Cl       3.42170997       5.81753002       8.38980000      -0.23240821      -0.16026082       0.07486277
Cl       4.81254004       4.75270005       0.34579100       0.33362849      -0.05756231       0.16935328
Cl      11.44959996       5.41345003       2.09636995       1.42913304      -0.39557714      -0.71593436
Cl       3.36666996       2.30395000       2.81218997       0.76638864       0.85667154       0.34240239
Cl       5.55177998       3.06296995       6.16687999      -0.37157681       0.39586252      -0.63377391
Cl       2.58221995       1.37854999       6.45529995      -0.46323702      -0.54563087       0.94391445
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.55145077 stress="-0.01910320259492829 -0.0022393679095183065 0.004926784917170101 -0.0022393679095183065 -0.019442522950088977 -0.0025928997502944967 0.004926784917170101 -0.0025928997502944967 -0.026744887469774773" free_energy=-220.55145077 pbc="T T T" config_type=melt 
Li       7.94545001       4.47033999       3.08427001       0.14503029       0.14703969       0.10641374
Li       5.49831998       5.49483999       0.15767398       1.30988751       2.77567159       2.32801040
Li       6.01761002       8.77229000       7.74502000      -0.75602222      -0.25750997       0.56459822
Li      11.24470003       1.56098005       4.98495995      -0.65683337      -0.25638048       0.24629249
Li       3.54716004       7.75631002       5.26420998       0.03393670       0.26642630      -0.17013063
Li       5.22727998       0.95018797       8.56873002       1.04581785       0.23829777      -0.63331131
Li       8.74318999       3.34928003       9.48797004       0.73743051      -1.27501414      -0.21094938
Li       7.50722997      10.39449996      11.14359999       0.98479805       0.06323550      -2.67061602
Li      11.13250004       6.66550005       6.55987998      -0.53359645      -0.29704770       0.90319232
Li       9.25562004      10.49200000       7.42385003       4.42709179       3.29941957       1.36216530
Li       6.58150001       1.91460998       0.99654504       0.44272715      -0.22067725       0.10529002
Li       0.65417796       0.43274505       1.77616000       0.74124465       0.67739489      -0.78253393
Li       9.51629002       6.06713995       0.73428301      -3.13508127      -3.19889229       0.03062327
Li       7.53274005       7.10225003       5.52058005      -0.39312366       0.21318444       0.54646140
Li       2.98661005       3.71441999       7.50230996       0.73731692      -0.44720564       0.37926627
Li       8.60664996       7.12034995       9.50404996       3.18791683      -2.41208519      -0.62403775
Li       4.74851995       3.97247004       4.36319999      -0.36352987       0.43693955       0.63569874
Li       0.25307100       2.28618002       9.58494994       0.77094447      -0.65634566      -1.25114358
Li       2.00917000       6.62696001       2.17815005       0.11145403       2.31100380       0.27089150
Li       1.90233999      11.10740003       6.90034996      -0.68885981      -0.12175427       2.31476573
Li      11.42530005       9.17316997      10.08709997      -0.71561924       0.61109222      -0.30443134
Li       3.59988002       2.60395003      10.84660004      -0.23261166      -0.59120903       0.82086020
Li       8.66503994      10.80070004       3.01265999       0.03848369       0.01419271      -0.13336316
Li       6.73151000       8.42088998       2.62232005      -1.06012761      -0.88412562      -0.97911037
Li       1.33224003       4.27922998       4.38082001      -2.15644979       0.51403068      -2.21423162
Li       3.32562005       0.66912704       3.60647003      -0.04571140       0.44991287      -0.75449182
Li       8.21375005       2.13364996       5.69571000      -0.33301647       0.47286004      -0.08447598
Li      10.71609996       8.49861998       3.09866995       0.13840116      -0.51118639      -0.17647796
Li       1.11559999       5.47668000      10.28259999      -0.49482849      -0.27025604      -0.10380847
Li       3.09060001      10.43129996      11.13559998       0.05950571      -0.02964086      -0.28903284
Li       6.16766999       4.80625005       8.28331002      -0.05717970      -0.23343737       0.05183124
Li      10.71349998       2.82810996       1.69676997       0.29152901      -0.28553953      -0.27025619
Cl       2.77147997       4.13823000       5.64463996       1.66065971       0.60059289      -0.58567999
Cl       6.95303004       1.61054999      10.03509994       0.43252697      -0.39278692       0.11324386
Cl      10.96659999       4.56174000       8.59041000       0.26055461       0.37856024      -1.83655241
Cl       0.39443200       7.09139003       4.59225997       0.59923895       0.06131951      -0.35080581
Cl       1.99462997       4.69706998       1.98020997       0.42842495      -1.61833786      -0.48492295
Cl      10.77450004       3.18722005      11.05350003      -0.23979375       0.34007743       2.15037693
Cl       5.43584997       6.58432997       7.11461999      -0.21407721       0.27207465      -0.57819777
Cl       8.51206999       5.29685004       5.16195995      -0.41938323      -0.09455849       0.90691797
Cl      11.15810001      10.64780002       3.03794996      -0.70301815      -1.44393810       1.07236478
Cl       7.07318006       6.35711997       1.58474997       0.18898126      -0.37596030       0.56125600
Cl       2.52979999       3.71458003       9.38585002      -2.55394176       0.32452966       0.81904765
Cl       7.54168999       8.94029994       4.39150002       0.80297230       0.69072934      -0.26817022
Cl       2.65776004      10.94350003       5.16357997       0.72562207      -0.49746968      -1.84196318
Cl       6.04285001       2.94152998       6.52023994       0.04744186      -0.15950846       0.98311982
Cl       7.96586996       9.37129004       7.17770001      -3.88437859      -2.69103178      -0.89721055
Cl       0.98333899       2.16440999       3.67263005       2.75917871      -0.26338604      -1.95861624
Cl       7.18681996       8.18919000       9.78581995      -3.92611572       2.74656167       1.68362455
Cl       6.83491999      10.24369997       1.44956994      -0.95044463       0.49495709       1.85952058
Cl      10.25340001       3.96783996       3.31276996      -0.73683727       1.13837938       0.22653904
Cl       4.09233000       7.91031004       2.98289000      -0.29617915      -0.34576773       0.41805425
Cl       8.46727996       5.08064003      10.46160005      -1.26973797       1.13032645       0.14374462
Cl       1.68136003       8.74310000      11.09510001       1.49334739      -0.40018012       0.60644032
Cl       3.11872006       0.60406003       1.28163005      -0.17263464       0.24370539       0.65631969
Cl       4.97166001       4.19634003      10.44109997       1.01712188      -1.46447425      -1.57816606
Cl       3.57192002       0.75307400       9.70718003      -0.70492316       0.32376291       0.39389944
Cl      10.83949998       0.08391991       9.81670002       0.05773906      -0.40240541      -0.34799080
Cl       3.22966998       9.85575997       8.12666004       0.51719288      -1.31171454      -0.49924495
Cl      10.43739999       7.90931001       8.56306001       0.65104210      -0.05075574      -0.62165818
Cl      10.01670000       0.75455599       6.27450998      -1.25438914      -0.17240181       0.99749002
Cl      10.76220001       7.35351002       0.84038596       2.51702093       2.93961001       0.79806307
Cl       6.09626003       2.71425005       3.39401995       0.62977859      -0.50083919      -1.34547781
Cl       9.18726003       1.23751997       1.84842004      -1.04391519      -0.04206437      -0.20932420
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.05141374 stress="-0.013549338492506858 -7.2341462542454805e-06 -0.0016006490774528224 -7.2341462542454805e-06 -0.019191671698870916 -0.004378660603908371 -0.0016006490774528224 -0.004378660603908371 -0.008245293720116679" free_energy=-224.05141374 pbc="T T T" config_type=melt 
Li       3.30088999       9.26632997       5.23993001      -0.13176946      -1.43752049      -1.79790676
Li       5.96974998       2.59516003       1.20744996       1.33240861       0.80867502       0.02983640
Li       6.47263005      10.82160000       4.41501005      -0.06195999      -0.47981091       0.04478456
Li       3.50944003      10.21920000       1.04216004       0.67836020       0.44497971       0.36171763
Li       4.59769003      10.43180003       8.91293001      -0.08415536      -0.06855839      -0.21023356
Li       4.15788001       5.36095004       5.05190997       1.44753380      -0.79302840       1.63479022
Li       9.63878998       5.37203004       1.26532005      -0.07181521       0.09555125       0.32956973
Li       9.89693003      10.12800005       7.63822003      -0.86790348       0.03607625       0.10938589
Li       6.99544994       7.01367001       2.36827000      -0.39171638      -0.56490972      -0.20128143
Li       7.06224004       4.29290997       8.55586996      -0.75092726      -0.03442022      -0.00206749
Li       4.70655999       1.37216003       6.20698995      -0.36948475       0.35582624      -0.01247645
Li       7.81659001       9.34158001       0.11852701      -0.44648332      -0.02300408      -0.04888427
Li       4.76533002       7.81794004      10.52900005       0.18206766      -1.84630260      -0.28289229
Li       0.18626004      11.41541497       2.70736999      -0.85747779       1.09388349       0.05166834
Li       3.32578995       1.95373000       3.17840998      -0.89624890      -0.84487666      -1.33450920
Li       9.04425001       5.83911003       6.11028004       0.40958441      -0.61006152       0.16951613
Li      11.14960005       2.44731002       7.69859998       0.25182252       0.04750646       0.70993022
Li       8.88035999       7.02255001       9.44987997      -0.44698253      -0.04713201      -0.22096065
Li       0.39580496       3.51618000       4.34556002       0.15799880       0.12706650       0.01054634
Li       2.79912998       1.56860998      10.17639995      -0.37437842       0.34346494       0.87148790
Li       6.64305998       3.61562999       4.15894997       0.09215959       0.81753775      -0.31259465
Li       1.97808002       6.24170998       2.11119005      -0.79529653      -0.09780154      -1.73400103
Li       7.87131005       0.47096501       9.14647998       0.33114872      -0.34403905      -0.50498593
Li       0.77539002       7.02733004       7.71930998       0.25814451      -1.85876844      -0.23288737
Li      10.73700003       8.33433994       2.46552997      -0.54998755      -0.50185855      -0.01696723
Li       7.38732002       8.45048995       6.08018997      -0.16125169      -1.72920342      -0.09608529
Li       1.54855001      10.93759994       6.72668996       0.33222074       0.38908027       0.09527757
Li       2.96271001       4.32245995       8.84962001       2.99365125       1.78804458      -0.52851155
Li       8.77251000       0.79661602       1.38332005       0.09405327       1.16392737       0.54224296
Li       0.27319506       2.94628995       1.07139005      -0.63230026       0.28501394       0.21955660
Li       8.90440998       1.88268001       5.03702004       0.25269889      -0.09878224      -0.09497086
Li       0.04351990       9.24882000      10.28860005      -0.34651515       0.42751516      -0.11556701
Cl      10.32250004       3.42442999       6.05154005      -0.07101332       2.06665709      -0.66668847
Cl       2.96213003       0.53792695       8.31695998      -1.01052404       1.27913654       1.64222724
Cl       2.78602997       6.14152995       7.51177005       0.41585127       0.31778675      -0.12004917
Cl       1.44529996       1.35273002       1.64489995       0.48212118      -0.59615999      -0.78665518
Cl       6.02465998       6.27195000       0.13399405      -1.06162442       0.02963436       0.28422494
Cl       5.49391999       3.28797995       7.22515995       0.36181941       0.06592790       0.84915301
Cl       7.77535001       1.30764995      11.10630003      -0.92053828       1.15256861      -0.08821198
Cl      11.33540003       6.00706999       2.79582001      -1.06575514       0.26686447       0.56780862
Cl      10.24849995       2.53470005       3.14560998      -0.46155285      -0.63078087      -1.05558333
Cl       6.77089003       1.47141994       3.68057995       0.93159015      -0.97645197       0.19223762
Cl       1.19940995       4.69285995       0.33194995       0.49222075       0.71030126      -0.12385952
Cl       4.42386002       1.26133999       1.00918006      -0.60965976      -0.64833815      -0.36797134
Cl       9.42538000       7.80780998       7.00447004      -0.12372629      -0.75146428      -0.26809961
Cl       4.12020001      10.46839998       6.58615004       1.40555871      -0.64096208      -1.08479292
Cl       8.86725998       7.70704996       1.24309998       0.20682346      -1.13925245      -0.52491981
Cl       0.91063001       9.55349001       2.98120006       1.57447060      -0.92105660       1.12190680
Cl       9.02448995       4.78683999       8.99199995       0.84775091       0.24358514       0.21074453
Cl       5.38413999       9.68244997      10.84459998      -0.06831804       2.36306387       1.14088887
Cl       6.92003997       7.90575001       9.09895996      -0.26727002      -0.41972583      -0.95518089
Cl       9.33059001      10.44249999       2.02366005       0.33753581      -0.05530444       0.98089603
Cl       9.18722002      10.20809994      10.09429999       1.42091937      -0.53938602      -0.79022340
Cl       0.42691798       8.97190994       7.71452994       1.18193114       2.80529878       0.42464751
Cl       4.38298000       3.15174005       4.38703996       0.77333324       1.27614613       0.51106549
Cl       7.49200999      10.31340004       6.81095998      -0.81650402       1.44463032      -0.44112450
Cl       7.39475999       6.06729999       4.70721002      -0.67288330       0.21353301       0.21439352
Cl       9.31763996       1.09436000       7.39163999       0.44363585      -0.57528183       0.58624957
Cl       5.13653997       8.88854995       3.55511006       0.24742144       0.47675610       0.11851585
Cl       1.78883995       1.58619997       4.77662004      -0.55665098      -0.85619025       1.12747829
Cl       2.80307002       5.99861004       3.87289004      -0.49901477       0.90770014       0.29059576
Cl       1.95337002       9.48283003      11.28370002      -0.29261748      -0.46590761      -0.65777318
Cl       7.62592998       4.43218996       1.95096998      -0.11986624      -0.83714634       0.22113369
Cl       1.32468002       3.51367001       8.96040004      -3.08266325      -2.41025245       0.01443847
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.40481217 stress="-0.0029085694545169087 -1.3735620476730903e-05 0.0036576668539039514 -1.3735620476730903e-05 -0.010944114096013152 0.0009546106216656136 0.0036576668539039514 0.0009546106216656136 -0.013593841126657388" free_energy=-225.40481217 pbc="T T T" config_type=melt 
Li       8.96424000       1.36446004       3.31335006      -0.38859021      -0.37816887      -0.72222975
Li      11.42919997       8.97475996       8.67179997       0.12866282      -0.50294065       1.08843844
Li       0.79713295       0.01399651       4.66022000       0.25670387       0.27991007      -0.32014808
Li       2.06293002       6.37970002       9.79354000      -0.58357169      -0.02214931       0.26270922
Li      10.68850005       0.52566602       7.55631004       0.00105012       0.38734133       0.14866175
Li       5.25790004       4.41037997       8.86084996       0.72312972       0.15772294       0.07016962
Li       3.79677995       5.71577994       1.88700996      -0.21342253      -0.08216468       0.17615505
Li       6.14965995       5.71070001       4.62395000      -0.60775280      -0.70153994      -0.84911230
Li      11.32179995       6.11542005       2.83870994      -0.58718480       0.60765636      -0.17842795
Li       9.30338997       5.89667000       9.34566004      -0.68593792      -0.52838207       0.00371082
Li       3.34789996       1.44554999       7.70488000      -0.31287016       0.96428001      -0.59514508
Li       6.49028000       0.60961997       7.43076998      -0.14201297      -1.63916290      -0.94963724
Li       3.58688996      10.33109997       2.56624998       1.94392446       0.98236411      -2.90107007
Li       0.78595000       8.80828005       1.24829995      -1.99155240      -1.39271902       2.40431519
Li       3.12089999       2.46503002      10.63330000       0.08926169       0.37417873       0.96227062
Li       8.12417997       2.24552998       9.72608004       0.09227646       0.39427605       0.29790205
Li       3.15470999       9.60858997       9.39835995      -0.06735916       0.05759753       0.22710337
Li       5.84884997       0.67532795       0.63119494      -0.26185343      -0.28611921      -1.67745051
Li       3.67685005      10.28959997       5.66831003       1.10951708       0.25076608      -0.37418110
Li       3.93598004       7.20834999       7.02276004       0.66936700       1.51576135       0.13474554
Li       6.19092001       8.17274002      10.22189995      -0.40473049       0.17462530       1.12651586
Li       5.02733995       2.02364996       4.46476996       0.90497403       0.13909626      -0.46963871
Li       8.20234997       3.48121005       5.27774998      -1.43833998       1.21883225       1.11482379
Li      11.41169997       3.74567998       0.73224696      -0.09452679       0.31904245       0.25231052
Li       2.88712005       4.28560000       5.48394996      -0.85482543      -1.52911534      -2.46167354
Li       0.08760005       0.62877495      11.27289998       0.76661098       0.31940801       0.82716701
Li       6.98294001       3.96174005       1.54679002       0.22352396      -0.31885661      -0.29353984
Li       6.94224995       8.78254996       3.46543004      -0.36369181       0.20247322      -0.13609752
Li      10.87900005       3.85144003       6.54386003       0.72326535      -0.42850353      -0.53407527
Li       8.84614003       9.84066999      10.57629995      -0.70151780      -0.27722009       0.18429654
Li       8.21404995       8.69680001       6.87149001      -0.29722671       0.33005526      -0.61420275
Li       0.31607502       7.70580998       5.68476998       0.05465696      -0.03247784      -0.24999608
Cl       3.32880001       5.31106002       7.01951003       0.37280672      -0.58527085       2.46219890
Cl       4.06181003       3.99821996       3.54641004      -0.02584460       0.64991057       1.00403110
Cl       2.62058000       9.73118004       4.00717998      -3.17160771      -1.95856767       1.77934885
Cl       1.82812999       8.27250001       7.67728995       0.20647211      -0.65423167      -0.37890852
Cl       1.10768000       1.93540997       7.08286003      -0.76607689       0.24152930       0.37114650
Cl       0.17627901       5.41261004       4.77720002       0.39929653      -0.27357430       1.40462730
Cl       7.23487994       9.99775001       0.70469199      -0.33791341      -0.67598634       0.18686111
Cl      10.54859995       9.79921997       6.94029002      -0.68811818      -0.00470145      -1.20994818
Cl      10.60220005       8.27462996       2.91747998      -0.06173287       0.20043274       0.25837678
Cl       5.02753003       3.08784996       0.88522700      -1.71517153       0.45071345      -1.75191538
Cl       1.26999999       3.80552994      10.51960002       0.87089787      -0.32810434      -1.01828188
Cl       7.73946005       8.50564999       8.94230998       0.99004690      -0.33294405      -0.25028926
Cl       1.92159998       9.34915997      11.33369999       0.79283782      -0.81962943      -1.76206490
Cl       6.60861005      11.05200004       5.42757001       0.19688475      -0.99653789      -0.21766357
Cl       9.49223005       2.06064003       5.28227000       1.79875551      -1.69680205       0.76293665
Cl       2.95062998       0.32600102      10.98199995       0.74336951       1.71918223      -0.30641144
Cl      10.96640005       6.99177002      10.07179997       0.41372982       0.72524558      -0.18143836
Cl       3.52951995      10.90839996       7.58156000       0.57599005      -1.31340322       2.17098001
Cl       4.91781996       7.61296995       2.88073994       0.19324841      -0.08396324      -0.69000165
Cl       9.16292996       4.51572994       7.54453003      -0.54622414       0.37843101       0.28577372
Cl       4.29334997       7.17756003       9.79913995      -0.13343462      -0.21180839      -0.19218792
Cl       6.24619997       2.50231999       6.96200004      -0.94945625       2.67867724      -0.43407087
Cl       6.46039995       1.24788001       2.42703005       1.43593006      -0.08599450       2.72828982
Cl       6.12278997       7.39949004       5.78384005       0.36121369       1.03731356       1.29160421
Cl       7.17392998       4.28489001      10.54550001      -0.98324572       1.31331829      -1.52649133
Cl       1.30784003       6.05050001       1.32904000       0.89440763      -0.15512089      -0.20856844
Cl       9.40624004       3.02570003       0.18056597       1.06391889      -0.66908647       0.86464861
Cl      11.04010001       0.61287606       2.72345002       0.48066356      -0.18001699      -0.41301816
Cl      10.01890000       0.06465338       9.97370998       0.70173785       0.01712785      -0.93921465
Cl       3.32349996       1.02287001       5.14280004      -0.54469575       0.67633516      -0.63356511
Cl       7.85673998       4.73206997       3.63210003      -0.00740639       0.42929250      -0.82767351
Cl       6.98364999       0.34358803       9.35219995      -0.25123706      -0.04763303       1.41621999
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.97956907 stress="-0.021651198269688296 0.002041563968376189 -0.004183596785136662 0.002041563968376189 -0.0247275907510234 0.004700093904902897 -0.004183596785136662 0.004700093904902897 -0.010712044925128396" free_energy=-220.97956907 pbc="T T T" config_type=melt 
Li       9.13502005       0.83664402       4.63793997       0.95439257      -0.26191091       0.95370013
Li       1.00172002       9.56645003       3.52176998      -1.37475142      -0.46384658      -0.91781178
Li       1.55282997       1.07959000       4.37546998      -0.56161493      -0.31730689       0.15179526
Li       5.34128995       6.19092001       7.68888997       0.06129915       0.45394025      -0.50206174
Li       3.71880003      10.77139998       7.25619995      -3.22187626       1.25057545      -1.71889113
Li      11.18699997       4.69438000       5.35125000      -0.08991407      -0.36523067       0.09848655
Li       2.88776996       4.15784997       8.07289004      -0.81734947      -0.94518571      -0.96622539
Li       3.35820004       3.84824000       3.28162002       2.28269271       1.88357422       0.45420516
Li       9.59952998      11.34719998       0.92334905      -0.40093719       0.18139887      -0.19651649
Li      10.07839996       8.21482001      10.79020002       0.17375950       0.69437847       1.14372266
Li       4.49437004       1.24723996      10.21849999       1.01774041      -0.65444324      -0.54200015
Li       7.28933997      11.01659995       9.66888005       0.71188260      -2.93406310      -1.06325666
Li       5.05491005      11.34450003       2.66243002      -0.13364130       0.07703067       0.23955225
Li       5.54570001       8.44540004      11.40390002      -0.03985707       0.02328100       0.05926183
Li       5.55382005       4.07268000      10.00439998      -2.53025577      -1.78069230       0.61623125
Li       8.39784002       7.16830996       1.86663999       0.05658769      -0.04748111      -0.02488860
Li       2.63548999       6.06928996      11.05039997      -0.08167457       0.13517762       0.66789242
Li       8.43363001       2.35846002      10.08290003       1.53158405      -0.14662235      -1.31018543
Li       0.67697503       6.49049999       2.17807003       1.43016210      -0.26780078       1.66886107
Li       0.81314706       7.80982998       6.86429995      -0.04137017      -0.22661050       0.07980766
Li       8.43226003       6.50492000       8.80767003       0.55209889       0.19218932       0.27610917
Li      10.08370001       3.32515998       1.98385996      -0.09895752       0.14611106       0.51704175
Li       2.00302996       2.38191995       0.73431798       0.24712709       0.07969806      -1.12433432
Li       2.85323003      10.28809998       0.58362701      -0.87704619      -4.13449801       4.72151970
Li       5.00069994       2.41411004       5.42533997      -0.15365699       0.35769027       1.86986524
Li       6.99476002       3.06765999       1.90338003      -0.50880202       0.58974209       0.02144484
Li       4.04265998       8.27433005       3.64842001       0.06515771      -0.37036166       0.18681312
Li       6.36897003       9.19756997       5.89421000       0.46972739       0.52528861       0.59640989
Li      10.95010002       4.89006001      10.34019998       0.15755316      -0.23587324       0.12216484
Li      10.26620000       9.96997997       7.27494004       0.32193643       0.18878586       0.21732459
Li       7.34032002       6.60810001       4.65104995       0.29596265      -0.91687812       0.04147407
Li       0.67132497       0.49715000       9.41572994       1.89415965      -0.71427285       0.24805473
Cl       0.83275900      10.99619995       7.57412003       0.90954317      -0.60769217      -0.91818249
Cl       3.29711996       2.88906003       9.94426994      -0.67766347       0.34639911       0.29457282
Cl       2.93630995      11.45270002      10.83570003      -0.41178718       4.44246559      -4.94821229
Cl       3.70215997       5.62475001       9.26406004       0.98711125       2.24237697      -0.34833158
Cl       3.18019004       8.50182001       1.52829997      -0.18353288      -2.03742751      -0.27005975
Cl       4.69760994       7.96909004       5.88625998      -1.11571943      -1.33549551       0.78782228
Cl       6.79671000       1.32808996      10.06079999      -2.52216042       2.13739636       1.13462319
Cl       8.08791994       6.54931003       6.76043002      -0.38171903       0.22775079      -0.68959636
Cl       0.52147101       6.71155000       4.56275000       0.15960524       0.47429631       0.13181225
Cl       5.80175998      10.34690004       0.90225501      -0.63701876       0.84236360       0.36207078
Cl      10.80650005       6.66648002       0.79596795      -2.90632195       1.39256361      -1.72247272
Cl       0.02497046      10.45429994       0.60036795       0.74249756      -0.62198760       0.64106162
Cl       2.78424005      10.00439998       4.27997000       1.39403839       1.41114563       0.83114455
Cl       3.81460002       4.55540002       5.42380995       0.04792345      -0.18320764       0.83181946
Cl       8.70221000       5.24459001       3.02631005      -0.28425950       0.16424883       0.37088475
Cl       0.02453150       4.72887006       8.00467001       0.27894340       0.06234846      -0.08796903
Cl       4.93232996       1.93491998       3.49389997       0.77143300      -1.26431619      -0.87507041
Cl       7.05209002       5.21000996       9.88405003       1.60072628       2.05945231      -0.49211297
Cl       6.25932004       7.92980001       3.41466001       1.09601510       0.61235481      -1.29011238
Cl       8.37846997       1.70726999       2.93497998      -0.62534495      -0.43698616      -1.39733986
Cl       5.11992995      10.01349998       8.13622996       3.55077044      -3.84078534       3.18023487
Cl       2.07712005       2.55217001       2.79621002      -1.20076795      -2.37001248      -0.66654380
Cl       5.02582999       4.38479995       1.64237999       0.24578597       0.48093673      -0.75011218
Cl      10.96610003       8.14275004       8.96840004       0.28176231      -0.34615587      -1.67670357
Cl      10.43650004       1.22391003       9.91590995      -1.93073324       0.86220896       0.69406926
Cl      11.06089999       2.63499003       4.04472000      -0.74821968       0.67612842       1.33445749
Cl      11.01960004      10.83329999       4.52215005      -0.67616351      -0.15507678       0.06020470
Cl       1.37099996       4.77249004       0.83722503       0.67292099      -0.81162017      -0.50108074
Cl       8.49535002      11.12139998       7.57123000      -0.53870210      -0.16024913      -0.66896380
Cl       8.27804001       9.40383002      11.24569995       0.24236062      -0.68928975      -0.25754717
Cl       4.86777999       1.09397996       7.48620998      -0.30818888       2.96250053      -1.43443569
Cl       9.16657996       3.63514999      11.38289998       0.87474695       1.46758147       1.75450232
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.24526508 stress="-0.014790904530966929 0.003431043143829652 -0.003762793865379065 0.003431043143829652 -0.021838546734335176 0.002502263619349401 -0.003762793865379065 0.002502263619349401 -0.016721263518764237" free_energy=-224.24526508 pbc="T T T" config_type=melt 
Li       9.19755999       4.27526999       6.92707996       0.07679193      -0.04149399      -0.05900588
Li       1.04771998       8.49282995       2.26363999       0.82787649      -0.23566894       0.10483289
Li       3.94844996       6.36454997       8.02815998      -0.93040001      -0.82108057      -2.64833402
Li       3.98343001       3.19646003       7.29940997       0.66574088      -0.74239758       0.02497256
Li      11.43425342       1.95311001       2.42529998       0.09268665      -0.77333650      -1.04696884
Li       6.04304995       4.97015005       5.32384005       0.44548887      -0.44756338       0.18122305
Li       9.07375998       3.26452002      11.10439994       0.24567582       0.22562567       1.45488187
Li       8.07272003      11.15770002       5.97752998      -0.26549478       0.60683616      -0.68946109
Li       6.20216005       8.24586998       7.59674994      -0.11705796       0.12267250       0.36742060
Li       2.61408996       3.41836997      11.41031268       0.79158546      -1.04654045       0.72215358
Li       1.83009003       9.22512998       6.53841002      -0.08775608       0.08895489      -0.12329755
Li       0.70319498       2.51465006       5.78456998      -0.65486184       2.59023657       0.21855712
Li       6.02720998       9.72033999       1.41742995      -0.17437636       2.06606613       0.93751241
Li       9.37653002      10.83159995       2.80297005      -0.02995008       0.11028344       0.17462526
Li       2.02995004      11.45986497      11.39740000       0.11074873      -0.40760302      -0.25012300
Li       5.44490996       1.86791998       2.20612003       0.01820791      -0.07843681       0.09831783
Li       6.26710004       5.32866995       1.69895999      -0.25414209       0.76810262       0.03754627
Li       7.38795995       7.55110996       4.14312995       1.04032807      -0.22238344       0.69235109
Li       2.49501003       0.43961204       3.99987001       0.18237552       0.07862017       0.41865086
Li       6.09256004       0.75557298       9.00122996       0.21797954      -0.87328651      -0.01449814
Li       4.88540999      11.23810005       5.45346999       1.64962209       1.42607797      -0.03090591
Li       8.62105001       3.31588997       3.30041995       2.23048850      -0.51179846       2.63362159
Li       3.93429995       6.64107002      11.29278810       0.53249706      -0.64883024      -0.62591449
Li       6.60929997       4.44294002       9.50034997       0.16929557      -0.16727282      -0.67114136
Li       9.17807003       7.26247997       0.16280195      -0.00043258       0.93958128      -0.19424033
Li      10.31649998      11.11529995      10.40460000      -0.17020272       0.54758708       0.60583561
Li       0.10543205       5.54421000       4.68403005      -0.40843145      -0.57219973       0.13960951
Li       1.17345001       8.09881995      10.07979997      -0.06078611      -0.11180333       0.10991683
Li       3.35270005       3.99388004       4.06110004      -0.76389490       0.66251965      -0.45089370
Li      11.22709996       5.16515997       9.28659996       0.65014381      -0.99298191      -0.08430865
Li      10.08819997       8.36131998       8.03790003       0.19815318       1.35254440      -0.95208512
Li       3.93362998       8.16662005       3.21424995       0.23956499       0.08130178       1.34457804
Cl       0.99060700       7.45271995       4.05094006       0.12591972      -0.18258662       1.05964606
Cl       6.65856004      11.30610214       3.87238997      -1.46928881       2.53727868       0.93548333
Cl       9.23480996       9.45237999       6.39860003       0.79905489      -0.62999322      -0.31076917
Cl       7.81663999       9.21602998       2.92964003       1.95269000      -1.75247180      -1.31533307
Cl       2.02786996       0.58881402       1.93228996       0.19625311      -0.15586877       0.28043735
Cl       5.21042003       2.63916005       9.11947999      -0.84690641       0.35839097       0.50958783
Cl       4.14543003       2.12721001       4.54098999       0.76408182      -0.85182827       0.59769733
Cl       9.23848002       2.75265000       9.14489000      -0.20423570      -0.03776013      -0.47228920
Cl       6.39008001      10.34080002       7.21859000      -0.83127155       1.27258660       0.92113605
Cl       2.70263995       7.85957006       8.21921002      -1.66557361       1.96400709       0.44704796
Cl       3.64750998       9.72052996       5.24200997      -1.27123603      -1.34252808      -0.78056268
Cl       8.82286995       5.02159004       4.71469000       0.86587305       0.97053678      -0.53139665
Cl      11.35150001       9.26562996       0.81971804      -1.17014952       0.26562913      -0.82603307
Cl       5.16519001       6.14995000       9.38296996       1.94268210      -0.52389145       4.07431531
Cl       9.89838003       1.43675999       3.73107999      -1.24382125      -0.63398897       0.43590075
Cl       6.23449001       8.04380000       0.49481988       0.54024030      -2.38899861      -1.58894912
Cl      10.93889999       1.32332999       0.35253395      -0.57619787       0.17847393      -0.84146450
Cl       8.88509003       5.37247004       0.90596496       1.25640707       0.71944399      -0.96456917
Cl       5.53075999       6.65977995       3.85839002      -1.02943325      -0.79108801      -0.70828391
Cl       9.96486999       6.84642003       9.29981002      -0.58446564      -0.70204468       1.22626636
Cl       7.22988003       3.42372998       6.72173005      -1.05695795      -1.28850826      -0.10736151
Cl       1.67064999       5.01946995      10.71979994      -0.96168577       1.47644938      -0.80504727
Cl       3.10173997       4.93772000       6.69443005      -0.19024430      -0.00539125      -1.38728698
Cl       7.38749003       3.51610995       1.94093002      -3.70716634      -2.49986564      -1.74188714
Cl       3.20118996       7.84832004       1.33528001      -1.41851486       0.72229054      -0.30843472
Cl       1.02860995       0.67582298       5.61675000       0.55963323      -3.52646918       0.80395862
Cl       4.06560998       4.08327001       1.55267005       0.31468022       0.10984334       0.14507261
Cl       0.06857680       9.90006001       9.22120003       0.58839359       0.00870857      -1.07747117
Cl       4.76885001       0.09463454       0.18854499       0.34971082       0.02055603      -0.14407846
Cl       0.03441990       4.28693994       7.11937996      -0.21512994       0.24695262      -0.23957313
Cl       6.53516001       6.33420001       6.90524005       0.68585527       0.75707912      -0.50801683
Cl       1.07748997       3.10111001       3.62975995       1.03333950       2.73272351       0.79682929
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.03871229 stress="-0.012238904016842337 -0.006052545876719861 0.0005725309794758928 -0.006052545876719861 -0.016626310148439787 -0.0013151430264585224 0.0005725309794758928 -0.0013151430264585224 -0.027191210871774573" free_energy=-222.03871229 pbc="T T T" config_type=melt 
Li      11.12740004      10.07080006       4.23744005      -0.05211111       0.96180408      -0.34968183
Li       6.42651005       2.00666001      10.91969996       0.05669038      -0.47858578      -0.02116432
Li       1.88721001       0.87245900       2.35526997       2.12200843       0.95567019       1.82268825
Li       9.31815998       4.17772995       0.95158397      -0.22190461       0.24441707       0.31202395
Li       1.23340005       4.56405005       1.74428001      -0.43310538      -0.56187421      -0.13681607
Li       7.15097001       9.32385004      11.21780002       0.18625427       0.28048028      -0.12546010
Li       2.58642000       9.89576996       6.00267997       0.07631548      -0.22179253       0.13399275
Li       9.05391004       1.17222000       9.39815004       0.07102999      -0.23906919      -0.00415310
Li       8.39097005       8.73814995       7.94756998       0.43655582      -0.91658179      -0.41007193
Li       9.98785003       6.11861996       5.00612003       0.41564734      -0.12912320       0.44058814
Li       5.15377995       6.78295997       1.78152001      -0.55448611      -0.04630941       1.33276254
Li       4.31773002       7.32222996       7.81011006       0.46920452      -0.22944090      -0.15073406
Li       3.59407004       4.50826005      11.15360005      -0.12505046      -0.03389639      -0.30920531
Li       0.47073595       7.95524005       7.91142001      -0.04105841       1.18353891       0.59000512
Li      10.38340002       1.94607003       3.87436996       0.15675670       0.63215000       0.24811103
Li       3.39673000      10.04540003       9.79995999      -0.28328619       0.21101098      -0.14020533
Li       1.66661995       4.46774001       5.78356995      -0.05630169      -0.05704680      -0.31340451
Li       7.21388999       4.39503996       6.60493999       0.09093874       0.03725046       0.44080784
Li       0.22881992       7.31972995       0.19511987      -0.14638129       0.08755412      -0.09339871
Li       4.37228004       2.58073005       8.49975999       0.35800809      -1.35794376      -0.32933619
Li       7.87414998       1.25373000       5.84093996       2.18532431      -0.25674243       0.45902794
Li       1.26917995       1.18953003       7.82087994      -0.78769997      -0.04611034       0.00759825
Li       7.03248003       5.18683996      10.11149997      -0.00551789      -0.06601894      -0.17420933
Li       1.87542003       7.43246005       3.68384005      -0.06238051       0.17884947      -0.25737053
Li       6.90473000       8.41586003       5.27251997      -1.22412464      -1.45134854      -0.50475292
Li       5.95633998       3.28993002       3.41608995       0.43902436       0.84361564      -0.16005361
Li      10.97969999      10.71080003      11.08560002      -0.33411884      -0.54490674       3.19835721
Li       5.45461998      10.99499013       7.83721001       0.30960407       0.04751117      -0.24695492
Li       8.16025003       0.01671996       2.02503003       0.63054215       0.45921274       1.38416718
Li       3.44397005       1.71614999       5.03529994       0.34902603      -2.08639307      -1.80070465
Li       4.98247999      10.09200003       3.43037995      -0.20581854      -0.11007528       0.05357545
Li      10.49520002       4.04090996       8.61523005       1.54486372       1.17800328      -2.28951016
Cl       4.38249999       1.92137998       3.30075001      -0.99247938      -0.03880155      -3.18143871
Cl       4.39449002       4.53389005       8.95536997      -0.95438354       1.83362584       1.05711605
Cl       3.01145005       2.53967005       6.61136996      -1.59939516       3.15821192       2.98054115
Cl       8.01772003       9.86665998       5.96502004       1.07141168       0.08555050       0.92171884
Cl       5.98093006       1.29779996       5.40980003      -0.65827355      -0.05062788       1.26845591
Cl       1.40378998       5.50218997       3.55602995       1.44476684      -1.25875438       1.80278282
Cl       9.10975003       0.17593795       4.08986003       0.86953177       0.61222135      -0.98020084
Cl       5.91412001       7.48250002       0.05201986       0.31554407      -0.17096568      -1.62225263
Cl       2.42739003       8.12708995       8.68943994       0.83735226      -0.03522096       0.39364491
Cl      10.31920005       8.03232999      10.18439995      -0.26987340       0.08828329       0.36675032
Cl      10.42829999       2.20646006       7.88553997       0.90869486      -2.09240398       0.47327922
Cl       1.75550996       5.80319004       0.10719102       0.56935382       0.24630064      -0.53970046
Cl       3.57975998       8.19047997       3.08326998       1.49487640       0.97875955      -1.23332533
Cl       7.61881994      10.23939995       9.08557003      -1.25652957       0.42364337       0.01094072
Cl       8.27649004       0.20428396       0.03586634       1.29608297       1.62296303      -1.21654780
Cl       9.76179002       3.45911998       5.56817997      -1.38971832       0.15490907      -0.35706339
Cl       1.59692996       2.50668995       1.27167000      -0.25180799       1.34346876      -1.11366947
Cl       9.57366003       4.32645995      10.18740004      -1.53480241       0.90563088       3.25744614
Cl       6.59592999       6.55323001       7.78222996       0.61568837       0.05648135      -0.37316370
Cl      11.11600008      10.96989998       9.26003000       0.77598496       0.61977884      -3.20895384
Cl       4.78300003       9.03582996       5.85503999      -0.15834475       0.21919901       0.54538281
Cl       6.91226994       2.87989996       8.86994996       0.72464787      -0.32873871      -0.84964153
Cl       4.68246001       0.62642397       9.81631998       0.94071486       0.40602117       1.67916842
Cl      10.16590004       4.92589001       3.20575997      -1.31570085      -0.05833616      -2.76992744
Cl       5.98192000       5.80774995       3.60076002       0.42155383      -0.60756800       0.69069792
Cl       6.57258997      10.24299996       1.81683996      -1.66498508      -1.14672814       1.05891836
Cl      10.77369994       6.46328001       7.29888995      -1.10607287      -1.86344100      -0.76607660
Cl       6.88346995       3.85133995       0.71293801      -0.26703864      -0.05618414       0.45527162
Cl       0.51825597       8.25505997       4.92062000      -0.86788198       0.59283055       1.21626371
Cl       0.80431990      10.93880002       1.74964002      -2.34492304      -3.05066497      -1.24915456
Cl       2.98161999      11.27979999       7.84403997      -0.44247397      -1.36644343      -0.71759319
Cl       1.66074003       0.12424803       4.90920995      -0.57596882       0.30919077      -0.60618750
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.64422483 stress="-0.018053562462768402 0.0009285222307495551 -0.0059950340588567404 0.0009285222307495551 -0.00686633518875524 0.0005278578148130221 -0.0059950340588567404 0.0005278578148130221 -0.027073736981844745" free_energy=-220.64422483 pbc="T T T" config_type=melt 
Li       3.68518997       9.23479999       1.53495005       0.64624155      -1.60485052       0.93714076
Li       8.71684003       2.58743001       5.24710997       0.15230219       0.35300034      -1.35117829
Li       7.30275995       1.07435002       1.65155004      -0.84918266      -2.44311135      -0.74610037
Li       2.88507000       1.85459998       7.13106997      -0.28835739       0.59103795       0.19558415
Li       0.30581987       1.20355005       4.34706998      -2.89738286       0.30129670       0.84141106
Li       3.44187002       9.67113003       7.26040998       1.29257155      -0.84662618      -1.01937005
Li       8.43419004       6.99222000       9.27936004      -0.12105263      -0.96722966      -0.83648607
Li       6.36933001      10.29200001       4.44537996       0.27773157      -0.18658594      -1.03278393
Li       0.31186499       6.96329000       3.12108995       0.54228210       0.44537524       0.92899620
Li       5.02125001       5.70750996       9.54141995      -0.52553263       0.80679045       0.49085597
Li       1.59832998       5.75199996       7.45671995       0.15995638      -0.32852587      -0.26421507
Li       0.51098899       4.74477995      10.24399999       0.07980865      -0.34391292      -0.17994929
Li       9.71998002       3.81786998       1.82038999       0.15183538       0.19678479      -0.76075076
Li       6.33341001       3.73639002       3.47652001      -0.52247384       0.80324357       0.29358264
Li       7.67840004       7.20233996       1.79729004      -0.42042672       0.38170538      -0.04730055
Li       6.02346001       9.72832005      11.18149998       0.03320854      -0.17777252       0.61474209
Li       9.92543998       9.60836997       5.18186996      -0.54319875       0.19485128       0.59309527
Li       2.66292000       3.79188000       4.09132998      -0.97803208      -0.51081372      -0.67956869
Li       7.17270995       2.97968001       9.84808005       1.69908462      -6.30507679      -0.51346255
Li       9.77999002       9.55160998       9.15768001      -0.21074301      -0.23961405      -0.03191130
Li       4.07770995       2.70421995      10.69250005       0.05743781      -0.11571740      -0.15236443
Li      10.09939999       5.28657002       6.18700003      -0.53160662      -0.14118918      -2.16011403
Li      10.80150002       2.26092995       8.15554005       0.00635607       0.04973469       0.20143659
Li       1.68049001       9.91354005      10.25220005      -0.27518177      -0.20296469       1.44455959
Li      10.39470002       9.19172995       1.74213000      -1.91303197       1.52063641      -5.65339818
Li       2.82361997       6.14244995       0.85266695      -0.52294047      -2.03604676      -3.77433107
Li       3.92947005       6.92718004       4.16200004       1.10901125      -0.26092204       2.92110481
Li       3.91854000       0.95345402       2.47502996       0.24260636       0.26467201       0.01630865
Li       0.12693205       1.36333998       0.10171992      -0.22243312      -0.07496627      -0.25776678
Li       5.36254002       3.98796997       6.60687000       1.58426656       0.00560183      -2.64245458
Li       6.47767995       7.75324998       6.25846996       3.11323316      -0.52894181      -0.55452238
Li       7.00786003      11.22866804       7.36074994       4.23952858       2.02922979       2.79200946
Cl       5.67698998       9.97942000       2.19583003      -0.02593635       0.20070569       0.24313587
Cl       5.65649999       1.84127997       4.07845995      -0.42163154      -1.67514581       0.91182680
Cl       8.87117996      11.10869997       1.99523001       0.65389263      -0.34486011       0.06086691
Cl       5.94491995       0.47830903      10.61559996       0.24496401       0.58990808      -0.29620441
Cl       8.73312997       7.86302000      11.14515305       0.59668716       0.78645066       0.56457867
Cl       1.48475003       3.43541999       8.32688999      -0.55515274      -0.87334941      -0.96335945
Cl       1.92876997       2.56792995      11.12001808       0.15083205       0.11936541       0.86203302
Cl      10.84590003       0.48381796       6.29441999      -0.15932243      -0.32189445      -0.08748664
Cl       7.71131995       8.18827000       4.35696996      -0.25965680       0.16390860      -1.28197688
Cl      10.81870000       8.90928998       3.40619995       2.11730947      -0.82609145       4.70480232
Cl       7.97214000       2.17585994       7.06946001      -0.54913556      -1.03273457       1.96775692
Cl       8.28270998       8.44071998       7.16094004       1.31918106       0.75082315       2.30121280
Cl       2.35209998       6.57984996       9.68726004       0.12863164       0.06345031       0.52126636
Cl      10.96699997      10.83680003      10.42850004       0.11142369      -0.29738611       0.31217266
Cl      10.21980004       3.61844997       3.85407005       0.79689626      -0.65157322       1.55859055
Cl       7.35462997       4.89058003       5.50517000      -0.28378807       0.26342390      -0.21520181
Cl      11.38450337       5.67447002       1.65640997      -0.35621552      -0.87484571      -2.07079617
Cl       7.72747002       2.84927004       2.16358995       0.95037675       2.74721127      -0.74118214
Cl       2.08242996      10.55249999       8.40892999      -0.17255704       1.19759187      -1.07315130
Cl       6.84740998       4.66447004       9.93533996       0.65714448       6.26880002       1.02889533
Cl       3.10115002       6.89571999       2.47681002      -0.83796765       2.62142847       1.12698577
Cl       2.07881997       1.16043002       3.75314999       2.35234149      -0.06538173      -0.45759469
Cl       5.61311995       7.07095002       0.24911502      -0.41535372       0.51780442      -0.16125625
Cl       3.30942996       4.47010004       5.87337998       0.25824211       0.43933350      -0.17408571
Cl       9.94266001       2.69408003      10.48790003      -0.04298459       0.25939800       0.05084736
Cl       3.87300996       3.74221995       2.39860999       0.67064020       0.29865669      -1.43490767
Cl       2.95651001      10.80440003       0.59871996      -1.06635916       0.95237873      -0.91369121
Cl      10.79539999       5.60673997       7.99622003      -0.44800710       0.75584503       2.20717691
Cl       4.60529005       3.98945001       8.33433994      -1.44064496      -1.52314717       2.95216928
Cl       4.63561995       7.79215997       6.22437003      -4.01949644      -0.31793027       0.06912933
Cl       5.61468999      10.72930005       6.41363005      -4.42643519      -0.90191581      -1.95962809
Cl       0.78245798       6.17804001       5.04968005      -0.09380396       0.08067925       0.77427668
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.43812374 stress="-0.027080484746017337 0.0028704152153360397 0.006176383915188386 0.0028704152153360397 -0.011453738090896002 0.002177424058439987 0.006176383915188386 0.002177424058439987 -0.022740721326845615" free_energy=-222.43812374 pbc="T T T" config_type=melt 
Li       9.94636000       2.33583996       1.10539999       0.46816989      -0.45449845      -0.06741906
Li       1.66617995      10.43279995       6.10171003      -0.56520016      -0.35720477       0.47904431
Li       6.21053001       3.90663996       6.97089002      -0.79612851      -1.47823353       0.21132390
Li       3.11349005       7.41560996       7.35133995      -0.28358362      -0.13210751       0.07112107
Li       0.88809697       4.13505004       8.58724999       0.31186117      -1.18400890       0.17941469
Li       6.49980005       9.85908002       3.44618999       0.85692695       0.81499812      -0.09802531
Li       8.76754001       8.30709004       0.83625400       1.15127294      -0.00058056       0.38872256
Li       3.16507003       2.43531999       7.50355005       0.05826270      -0.59255916      -0.56536496
Li       6.28917004       2.58388995       2.97194999       0.38267399       0.44193933       0.29371160
Li       4.33445996       4.84012998       9.96824003      -3.90876109       0.37734457      -0.41940032
Li       7.37123001       6.40318001       9.08443999       0.34893893       0.24989276      -0.08552787
Li       9.42277004       0.72651998       3.58352003      -0.68489932      -0.20596086       0.14828968
Li       7.42910995       5.11655005       1.36475995      -0.90003834      -0.82974400       0.50808460
Li      10.03469995       5.20885000       7.00590995      -0.10700738      -0.32053484       0.00207494
Li       5.47997999      11.09589998       6.71137001       0.90478937      -0.02341306      -0.52117890
Li       7.59333003       2.63469001       9.79700003       0.56970774      -0.33324738      -0.47762939
Li       7.70851005       9.95091005      10.47899996       0.73307548      -0.04557783      -0.91803868
Li      10.31699994       4.01803001       3.60898999       0.27838495       0.04768959      -0.52803344
Li       1.27644005       0.19858105       0.01341986      -1.95771854       2.51001669      -1.40248951
Li       1.93205002       8.75074002      11.06230001      -1.54268001      -0.69223738       2.71113804
Li       3.76149003       5.03470002       2.56953002       0.53643744       0.01287624      -0.53917187
Li       9.77692997       1.13391005       6.96563995      -0.41134570       1.59636884       0.09844684
Li       2.12633001       1.67439995       3.70205003      -0.00019710       0.41673730      -0.40676745
Li       0.05423155       9.52530003       2.12870002      -0.23750425      -0.07031858      -0.41657718
Li       9.49753996       9.58751003       5.99532002      -1.45701484      -2.47423709      -0.60196287
Li       3.29006003       8.68141002       3.99318003       0.19273467      -0.46639660       0.30692846
Li       0.55175505       6.47757001       3.76065004       0.60028412      -0.27526032       1.54516210
Li       5.42459996       1.51194996      11.36240001      -1.04688171       0.21978137       0.15921219
Li      11.01469998       9.57618000       9.14826004      -0.68882135      -0.18476711      -2.63512614
Li      11.09309995       5.84900004       0.01721992       0.65136676       0.07464852      -0.35251729
Li       7.14239003       6.46899002       4.93284998      -0.09280490       0.41860402       0.38036754
Li       4.91798998       8.12646996       0.07750449      -0.87130192      -0.18822395       0.45530280
Cl      10.25029996       5.94392004       4.65345000      -1.30285994       0.30370554       0.73536375
Cl       7.01411998       8.19021996      11.28899996      -2.22335430      -0.74465949      -0.21947254
Cl       0.82106005       7.29393004       2.02169003      -0.00991710       1.32641026      -2.15712824
Cl       5.05094995       8.74223995       2.61380003      -1.21333636      -0.64354144      -0.95772378
Cl       0.01020034       2.19392994      11.40540001       2.57137234      -0.12252287      -2.29519931
Cl       8.27537995       2.60573995       2.00262997      -1.34151010       0.61637231       0.86292328
Cl      10.71319996      10.76400002       6.72311001       3.11152457       1.14216006       1.60644261
Cl       4.79075997       1.07100004       8.10811003      -0.86033504       0.46741784       0.90094509
Cl      11.41510005       5.87288002       8.75628999      -0.53090907       2.00178804       0.32578496
Cl       3.21432000       5.80139003      11.30679997      -0.55675805       1.04382006       1.38034771
Cl       2.12967002      10.30709996       0.96968997       2.64390173      -0.89520008       3.00278196
Cl       8.66845997       8.68933997       8.85620005       0.47599934      -0.10363563      -0.93180603
Cl       9.89830001       2.48662001       4.88760998      -1.08820077       0.30596421       3.21260447
Cl       6.11769995       5.43630006       3.29577004       0.01750898      -0.14144245      -0.07172474
Cl       2.03966006       0.94700995       5.74353004       0.27338295       0.92862727       0.49221766
Cl       1.92549004       4.80403996       3.66047000       0.20457863      -1.06005821       0.36363047
Cl       7.65405999       9.71216997       5.21057996      -1.17081406      -0.06348159       0.34223563
Cl       8.92776994       9.82082005       2.30013996       0.54589364       0.73989830       0.34292122
Cl      11.19990003       9.42413005      11.04136108      -0.87325380      -0.11056336       1.94768656
Cl       7.69166994       5.25334000       6.87901000       0.82962810       1.35484338      -0.02658030
Cl       1.57799006       8.35415996       5.61393002      -0.05928536      -0.31237284      -0.46800282
Cl      11.16519995       1.58521003       2.78518999       2.78778404      -1.43453370      -1.07247278
Cl       6.95027999       0.32512297      10.83839999       0.62957793       0.71684870      -0.16135057
Cl       4.83590998       1.39116001       3.83149998      -0.74491507      -0.83759100       0.52605193
Cl       3.07887996       4.60816001       7.76244995       0.05011116      -0.05680420       0.14405109
Cl       7.63515998       1.38474999       6.83627002      -0.93358437       0.00306984       0.22151544
Cl       9.83171995       3.16622998       8.93838999      -0.41611276      -0.27990231      -0.53427225
Cl       9.00639003       6.19286000       0.51566699       1.04604211      -0.93528129      -0.10933092
Cl       5.47754005       3.24896001       1.10274005      -1.18191196       0.59882452      -0.53961132
Cl       6.06145997       4.42959995       9.76106994       4.85870921      -0.79828009      -1.12082481
Cl       4.84873999       7.65479004       6.01581999       0.29995582       0.18461396      -0.05537095
Cl       2.61213003       8.58529005       9.36834005       1.66808919      -0.06627920      -3.58974761
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.55616802 stress="-0.009568291910504453 -0.00021882464482907027 -0.005073139555576269 -0.00021882464482907027 -0.011739483079342661 -0.006039215373875964 -0.005073139555576269 -0.006039215373875964 -0.020615043498455225" free_energy=-223.55616802 pbc="T T T" config_type=melt 
Li      10.22830000       8.71979002       3.17423996       0.47032717      -0.07609688      -0.16069583
Li       3.49253996       6.72451003      10.59259997       0.92624246      -0.57919857       0.14103588
Li       2.98973005       6.60694005       3.83738001       0.06359796      -0.05408528       1.05976375
Li       6.02657004       4.97284002       3.56370999       0.31935541      -1.30255841      -0.50662941
Li       0.05071992       4.39279996       4.07027995      -0.89827004       1.32046109       0.11137255
Li       5.16923002       0.02551995      10.74750005       0.47359655      -0.22879072       0.08441186
Li      10.02470001       4.52458002       9.04206996       0.53284924       0.94109853      -0.49326706
Li       3.52387998       4.60561001       7.38703994      -0.01335567      -0.11489498       0.37006984
Li       6.49463998       9.13907004       2.94095997       0.43889165      -0.38713336      -0.05994486
Li       5.19962997       8.17257998       6.35284001       0.14473759      -0.04790041       0.27703262
Li       7.17041996       8.75883002       9.21096999       0.20855490       0.31332741       0.29295431
Li       0.91831302       6.27712005       9.00219995      -0.20624689       0.74640352       0.23262120
Li       1.83181999       8.82798004       1.59745996      -0.31097203      -0.13562702      -0.42861352
Li       0.46249004       2.44195999       7.44689999       0.20086740      -0.01652676      -0.68589919
Li       2.18894000       9.76439000       5.38070999       0.38329996      -0.63146992       0.88180954
Li       8.56536995       2.82555996       6.22813994      -1.36178374      -0.27503192      -1.03884178
Li       1.18989999       0.92876295      10.63809998       0.46194279      -0.36552454       0.99240441
Li       5.97452003       0.66734698       6.90827005       0.20091407       0.12027385       0.39396156
Li       9.17618003      10.60920002       5.88713998       1.80615463      -1.94773612      -0.15141418
Li       6.46728999       4.45851998       8.98834995       1.01406003       0.62019864       1.90906684
Li       7.10639001       1.58441005       2.10276003       0.31267502       0.43144523       0.60690745
Li       3.23998004       3.22316997       0.10271995       0.06298197       0.16190439       0.42646141
Li      11.24912009       0.77875502       3.67523003       0.44899990       0.30176377       0.11528897
Li       8.64396997       0.76513798       8.93975000       0.52517778       0.49176376      -0.75598534
Li       9.41267001       6.90978999       6.58256000       0.08157392       0.66252937      -0.80959788
Li       2.65549000       1.54282005       5.14909003      -0.12590350      -0.66729717      -0.06365088
Li       3.54713997      11.27759999       2.59864001       1.49539371      -0.35562102      -0.29164372
Li       9.11517000      11.10979996       0.60770601       0.10403000      -0.01971118       2.80875782
Li       2.24797004      10.26130005       8.83906003       0.00722500      -0.45109942      -0.18442337
Li       0.49858704       5.62651998       1.22393996       0.63028889       1.16844726       0.85925240
Li       9.56308997       8.55437995      10.78279995      -0.77335238      -0.44092300      -1.50275719
Li       9.48635002       4.01221005       0.65396197       0.54659009       0.20301012       1.11084977
Cl      11.36199406       6.92425997       3.98018000      -0.16284276      -0.69054726       0.36422557
Cl       8.97922003      10.73289995      10.31649998      -0.16153489      -1.24428446      -3.19951986
Cl      10.61049996       8.87227996       0.95555898       1.32299777      -0.20599396       1.33989213
Cl       1.56504001       0.04554896       2.52179001      -0.70916232       0.75791976      -0.61468087
Cl       8.62390003       9.13978002       4.48572999      -1.18122287      -0.70004016      -0.82251111
Cl       2.51910003       6.40046997       1.89372000       0.05167508      -0.87189527      -2.16932954
Cl       5.56626005       7.31197998       9.02547003      -0.64208494      -1.02322445      -0.95453700
Cl       1.49897996       3.29609998       4.98423999       0.91270424       0.20979662       0.81117906
Cl       9.67905999       0.22397500       2.40319994      -0.69732644       0.94696742       0.94006078
Cl      11.16839998       4.93289996      10.95469995       0.92403670       1.10305715      -1.93443110
Cl       2.73747003       4.52286004       9.82498995       0.31116771       0.19901250      -0.81423044
Cl       6.68193994       1.48440003       9.47044001      -1.79986161      -0.53478376       0.01837026
Cl       9.94481002       6.94052997       8.61768994       0.59451332      -1.21206205       1.26136868
Cl       5.87775004       6.85874001       4.43005004      -0.49784635       0.71683487       0.41705645
Cl       5.65407002       3.86164003       7.33152004      -0.91245696      -0.56720786      -2.20426585
Cl       8.20225000       0.73389403       6.22438998      -1.58000925       2.31042009       0.70526659
Cl      11.32249996       1.34758004       9.17122998      -1.12506797       0.00716680       0.06122316
Cl      10.11469999       3.90610997       6.82749996       1.25688669       1.00086301       0.33661278
Cl       1.62131999       7.91019001       7.23629005       0.54168120      -0.18950921      -0.12379827
Cl       2.23361997       1.01697003       7.24726996       1.30403714       0.24453583       0.93377977
Cl       2.82699999       8.73834003       3.63990996       0.95004748       1.00984809       0.08694546
Cl       2.98882002      11.04571108      11.21700004       0.42528308       1.41735246      -0.57477343
Cl       5.96074994      11.21069996       2.31877997      -0.73667424       0.29812438       0.04195523
Cl       0.54948294      10.99130001       5.31405002      -1.83826765       0.22608764       0.42302947
Cl       4.69042998      10.40200001       6.35561001      -0.09764527      -0.20587715      -0.13379683
Cl       7.91798996       3.22399998       3.67030005      -0.45549493       0.41486905      -0.12775867
Cl      11.33330000       3.82520999       2.07202005      -0.46540856      -1.71324231       0.67141531
Cl       8.87983997       3.40437999      10.26940002      -2.52635192      -1.17979096      -0.39832030
Cl       8.70450997       9.29591996       7.60042000      -0.79114648       0.11263217      -0.08937128
Cl       2.27617996       8.34966000      10.51300004      -1.14768291      -0.00068845      -0.22885005
Cl       4.36467005       3.24663001       1.99018997       0.45215393      -0.11545178       0.11689269
Cl       6.56098996       8.77246999       0.14770705       0.31046015       0.09371102       0.32024321
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.08632275 stress="-0.021247433845965155 0.0043205447265505376 0.0032759976845618947 0.0043205447265505376 -0.011999365319911179 0.0018712482638168827 0.0032759976845618947 0.0018712482638168827 -0.02012311692196676" free_energy=-221.08632275 pbc="T T T" config_type=melt 
Li       9.26552002       6.94193996       4.32469996       0.18477672      -0.47164279       1.00863651
Li       7.95327002      11.45072713       3.97059001       1.70398717       0.45159508       0.88246647
Li       2.26560004       6.66533004       3.55169003       0.39649600      -0.05427507       0.04407743
Li       5.55027002       7.92625995      10.19129996      -0.76799287       1.42848798       0.12557836
Li       5.38421004       1.32280997       2.05281004       0.48718003      -0.47910517      -2.36968429
Li       7.34785996       9.55046000       1.51866000       0.06577295       0.67052845       3.48735410
Li       7.70602998       6.28795001       0.04222352       0.40723640       0.21053047       0.50296943
Li       7.21469994       3.83391000       5.97234996      -0.34535739      -0.31638182       0.27198146
Li       2.34212995       0.27317396       5.04938003      -0.19551321       0.13859214       0.12534174
Li       5.47672001       9.88038994       5.75778002      -1.15304547       2.76600975      -5.93379308
Li       0.73481197       5.75510002       0.37411695       0.91882706       0.36659926       0.46663028
Li       3.91933001       4.93065996       0.13603595      -1.00218302       0.15171635      -0.02641776
Li       8.19744004       4.28665001       2.67644005       0.17165583      -1.00847217       0.06240310
Li       5.78416002       6.25602004       3.33668996      -2.16850549      -0.19546220       1.22300849
Li       1.12576995       0.23976602      11.33180002      -0.28397272      -0.00330597       0.06490777
Li       8.33334003       0.24761985       9.16339002       0.08663029      -0.27561176      -0.75398208
Li       1.59731998       1.59323996       7.91429996       1.64691824      -0.63892666      -1.14587889
Li      10.57790001       2.16247998       5.37603004      -1.88656678       0.96978272      -1.12868802
Li       9.90328996       8.02583995       9.25453001       0.28526127      -1.38390837       0.91184129
Li       3.16059001       9.14106998       0.84564703       0.03533959      -0.63385374       0.81219667
Li       3.91159999       3.43023997       5.33335002       0.38150094      -0.48555016      -0.25506954
Li       6.09105994       6.63312000       7.43097003       0.17408040       1.07735659       1.44939735
Li       9.97313001      10.44939999       6.68153996       0.52539599      -0.36487975      -0.19794669
Li       9.25414997       3.23454998      10.53719999       0.36905168      -0.12403782       0.00560042
Li       0.58433401       9.36967999       3.27806002      -0.39188761       0.11223877       0.02259363
Li       5.35279997       3.31848995       9.31313003       1.21909967       0.68613693      -0.30521310
Li       2.33508997       5.24891995       8.13159002      -0.46944429      -0.16119586      -0.19112040
Li       3.68487000       0.81310200       9.28538005      -0.24020954      -0.43222900       1.68756779
Li       9.57896994       1.24187995       1.71413996      -0.45546059      -0.74676731       0.08438899
Li       1.42493997       2.81638005       1.98657001      -0.42333186      -0.36102144       0.10331985
Li       1.55172998       8.96517995       8.00022003      -0.26286942      -0.27728673      -0.49851339
Li      10.05609998       4.81594998       7.42894005       1.23325119      -0.09452498       1.23310121
Cl       5.10856999       2.02961998       3.77025997      -1.43508893       2.74654057       3.37439050
Cl      10.20410005       5.36452999      11.40860003      -1.61031826      -0.12069615      -0.08937661
Cl       4.34885004       7.66550994       2.58995994      -0.09471378       0.64701130      -0.20657024
Cl       0.96036400       2.05370001       5.60365997       3.70360367      -0.91693261      -0.97679663
Cl      10.44029999       8.27029004       6.03705997       0.12711195       0.07417527      -0.69244090
Cl       2.45365000       4.75355999       2.14771995      -0.85621454      -0.14760887      -0.85197033
Cl      11.30100513       6.67084000       8.47906994       1.31707052      -0.80936942       0.22416407
Cl       5.38853001       4.13097999       1.19907003       1.94803792      -1.09776051       0.64297038
Cl       1.92870004       9.54816003       5.05916995       0.63170212      -0.14910870       0.19932606
Cl       1.35798995       7.91621999       1.62257006      -0.74892609       0.03101922      -0.34340852
Cl       5.73594000       9.17386000       7.28722000       0.92294050      -3.19300273       5.94882538
Cl       4.29087001       1.06134001       7.45251004      -0.02141002       0.29646979      -2.25942637
Cl       7.42374994       6.16815998       2.37535000       2.58375708       0.47660478      -1.18600512
Cl       0.22171986       2.85382995       8.29702004      -2.16174480       2.83592680       1.71619715
Cl       1.03874001      11.06869995       8.18888001      -0.31329152      -0.75280090       0.70168049
Cl       6.11661004      10.98239994       3.41950998      -0.62702905      -2.23030456      -1.02812874
Cl       9.38727996       1.13552995       6.57135997      -1.64918615      -1.32666593       0.95532679
Cl       3.44372999      10.28390004      10.50519997      -0.08427664       0.24787973       0.16270870
Cl       0.75727199       0.12877000       2.31712005       0.49243944      -0.20677563      -0.12420692
Cl       9.03053002       4.98824997       5.69360000       0.18714778       0.03019944      -1.30367370
Cl      10.86240000       2.15912003       0.47806105       1.97280929       1.03228448      -1.04484310
Cl       3.80841000       6.05903001       9.76593997      -2.37264723       1.02149594      -0.77025352
Cl       6.47846995       6.22341999       9.74074997       2.65219643      -1.67466496      -1.15239712
Cl       9.03818002       2.25062001       3.56168001      -0.48599596       0.01599664      -0.28508522
Cl       9.13781997       9.62880001       8.52314999      -1.25126299       2.15706838       0.05871637
Cl       9.02543002       8.66714994       3.28355004      -0.21583856       2.34162760      -1.36329831
Cl       5.94343005       5.80191005       5.63817995      -0.59426001      -0.98652856      -1.40627679
Cl       8.11792001       1.19283003      11.06690005      -0.68167454       0.14615106       0.72911588
Cl       7.35733003       8.90717001      11.24229999      -0.09509074      -0.96528802      -2.57419452
Cl       2.34473005       4.85534995       5.35028001      -0.13925931       1.17253943       0.81535160
Cl       6.93234000       2.93594997       8.08560003       1.21052296       0.15315235      -0.53272614
Cl       3.66569003       2.99111001      10.19089997      -2.55723172      -1.36977099       0.89325033
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.84061183 stress="-0.019169415407312877 -0.0028087467146743175 0.004307884674133925 -0.0028087467146743175 -0.01167997466512526 0.008144551175315715 0.004307884674133925 0.008144551175315715 -0.01278641409070797" free_energy=-223.84061183 pbc="T T T" config_type=melt 
Li       6.29216004       0.67000199       1.72884003      -0.49088754       0.28708997       0.24606189
Li       1.26771000       0.29280001       6.47305996      -0.63052276      -1.63188305       0.54820346
Li       7.33008999       1.93228996       9.69992005      -0.40774087      -0.35947044      -0.22021022
Li       9.00684000       0.91719205       5.32289001      -0.65280149      -0.26484223      -0.78315636
Li       8.81990998       9.00900996       0.93202602      -1.51154569       1.39985750       1.74699317
Li       3.12180005       1.88273000      10.56070004       0.00770337      -0.55035341       0.92419082
Li       8.48510004       2.70644998       2.44359995       1.59882295      -0.09733107       0.98691896
Li      10.95899997       4.75315002       6.53292998      -0.01305969      -1.58701242       1.66152672
Li       5.26854003       3.67788000       7.49082000      -0.66133326      -1.53862031       1.87215529
Li       9.94503002       5.93833005      10.74019994       0.43281177       0.07846751       0.48763869
Li       6.39185995       9.41940000       5.80985995      -0.10492907      -0.25446874       0.21594413
Li       8.29897998       6.66631998       7.16420002       0.16615125       0.08404206       0.16109180
Li       7.38103002       3.79618002       5.09815997       1.36150348      -1.96760222      -0.58082617
Li       0.87101198       8.44233002      10.89129996       0.11309448       0.38952993      -0.04211273
Li       2.66420996       4.30239998       5.33882994       0.37127831      -0.75663001      -1.09231097
Li       9.78293003       8.74723000       4.65872998       0.05667205       0.45462885       0.14230479
Li      10.47389996      10.43969995       8.11440002      -2.13741666      -0.36051474      -0.96582378
Li       4.94476996       0.58035499       8.04544994       0.17522947       0.30008648       0.10975953
Li      10.33799998       5.31519002       3.03983996      -0.12245853       0.21211424       0.10848026
Li       6.80594998       7.31103005       2.87281996       0.32759566      -0.14079447      -0.11115526
Li       5.34039998       6.98078002      10.19599997       0.54528791       0.93471943      -0.43645763
Li       1.45350001       7.44843999       4.52062003      -0.31456459      -0.68493353      -0.66403911
Li       3.45703004       9.64247999       1.14860003       2.75994375       2.36098407      -1.66188387
Li       3.23699004       9.91711003       4.27504999       1.30375514       0.25068658      -0.95132833
Li       6.64754997       9.65934005       9.72192997      -1.92888353      -2.55742555       0.30011517
Li       1.93144998       2.39821997       2.18758997       0.14469667       0.88671187       1.40377271
Li       4.54507999       1.63784999       4.60153997       0.03401361      -0.31806863      -0.13263757
Li       3.16106005       8.87019002       7.96436997       0.07914381       0.19271526       0.01044814
Li      11.01850004       1.98044006      10.89009999       0.54096209      -0.05805125       0.40430242
Li       2.13913997       6.04522002       1.15858003      -0.06120841       0.07487050       0.43451359
Li       2.33721006       4.70848003       8.96221002       0.25217570      -0.15637142       0.44042991
Li       5.22053004       4.43732000       1.86998997       0.82624071       0.60309529      -0.91232503
Cl       3.59623002       8.76125001      10.27679998      -0.26160248       0.69838566      -0.83039125
Cl       6.90147999       2.92867004       1.32358003      -1.67010090      -0.22658577      -2.72447623
Cl       7.24098995       2.39218002       7.31267001       0.42593335      -1.07791819       1.13572290
Cl       7.76879004      11.11449997       9.47088998       2.76332634       2.66101740      -0.30109128
Cl       1.64360002       1.34438001       0.51292301      -0.59286861      -1.08238467      -1.26617165
Cl      10.10250005       8.09632005      11.38949997       2.72330662      -1.35602581      -3.23850797
Cl       2.21721000       8.57490995       1.94594002      -3.39387484      -2.84166251       1.62871953
Cl       3.96884996       3.38231997       3.03842000      -0.50315431      -0.58302549       0.97711172
Cl       9.72236997       7.69450999       2.66252998      -0.57257546      -0.33827550       1.16789431
Cl       1.51348995       4.87238003       6.97592994       0.69155197       0.64038780       0.44201337
Cl       7.12820998       1.55066002       4.06736997       0.13762995      -0.28694123       0.31131698
Cl       1.25339995       5.06948998      10.81979999      -1.58497944      -0.10077051      -0.02666057
Cl       8.77379996       8.97816004       7.04146000       0.87347307       0.28437064      -1.07567546
Cl       6.06568995       4.68395003       6.11213003      -2.01555893       4.02845534      -0.75080723
Cl      10.66589994       0.37958300       6.43215999      -0.12843514       0.47891203       0.63405658
Cl      10.11989996      11.04560000       3.30408004      -0.59419231      -0.09924048       0.08510825
Cl      10.53700005       3.13659000       1.27469003      -0.85539139       0.37510007       0.27023156
Cl       4.75310004      11.01769995       6.05449004       0.70644260      -0.47495568       0.70931269
Cl       1.25785004       4.74378004       3.35628000      -0.36432891       0.82846026       0.03217866
Cl       3.72858995       2.79730005       8.88915997      -0.08219371       1.82979863      -1.82899694
Cl       4.99118001       8.35841000       3.66824003       0.78934659      -0.31672627       0.39815078
Cl       3.93433996       5.99075001      11.31427411       1.20106141      -1.44611366       1.12423924
Cl       1.95100001       9.20613998       5.60588003      -1.28040207      -0.44409460       1.98095985
Cl      10.24600005       6.14635996       5.45552004      -0.93339463       1.83276574      -1.45376921
Cl       7.74954002       5.00362999       3.47608998       0.45396556       0.92915407      -1.17756767
Cl       5.01127998       0.73426799      10.36400005       0.59715520      -0.91656253       0.91458874
Cl       6.79799996       8.35621001       0.18607501      -0.35155417      -0.18274710       0.29968338
Cl       2.52795000       1.62746003       5.91930003       1.24813459       2.32069185      -0.88969382
Cl       6.15584998       7.87666995       7.68532996      -1.22253697      -0.34946899       0.78051771
Cl       9.85641997       5.36343997       8.72712005      -0.56888484      -0.39046253      -0.79660456
Cl       0.58995197      10.38150004       9.23834004       1.92532833      -0.16013725       1.17923922
Cl       3.91336996       0.01703202       2.98957001       0.37964343       0.54137319      -1.36121609
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.25341869 stress="-0.011335034455147632 0.005512138552858355 -8.163436434036374e-05 0.005512138552858355 -0.020191552947418968 0.0015432135370727288 -8.163436434036374e-05 0.0015432135370727288 -0.018239050358510887" free_energy=-223.25341869 pbc="T T T" config_type=melt 
Li       0.02327788       1.84157002       1.26740998      -0.64649729       0.52470402       0.11993484
Li       9.15184996       2.98900001       3.71991000      -0.41392992      -0.27927759      -0.02761772
Li       9.88466004       5.38519998       0.92710395       0.32795187       0.25773122       0.39796473
Li       1.47716997       9.08295995       7.29140996       0.90903700      -0.80922002      -0.22838401
Li       5.08272996       4.67434995       6.41658004       0.21873495       0.35733566      -0.05783207
Li       6.12213995       5.15956002       2.01264001      -0.10804304      -0.65607530       0.17716786
Li       3.08738004       4.20332006       1.18773003       0.02440169      -0.88731053       0.93181853
Li      10.04009997      10.26779995       8.64282996      -1.85013298      -0.41207396       0.51674122
Li       2.53142001      11.30590003       0.99100997       0.97879842      -0.33472860      -1.12512871
Li       0.07601987       8.32420002       2.23484000       0.11332968      -0.04941487       0.71950219
Li       3.95090000       0.44452001       6.89946996       1.85896409      -2.18897056       3.82842403
Li       8.58641000       8.13661000       0.18441900      -0.37515895      -0.18508677       0.14695606
Li       5.68180005       5.29217995      10.36859998       0.20479976       0.72515844      -0.44585815
Li       1.73465999       4.46646002       9.41259997       0.02877028      -0.37482321      -1.04451198
Li       8.02226000       2.62533997      11.30270000      -0.01883047      -0.25036417       0.13745786
Li       5.00634003       7.76607002       7.14701999      -1.82514707       1.96102678       3.98432656
Li       8.58689998       6.64837001       8.49446005      -0.20653438      -0.48585327      -0.28864963
Li       3.08181000      10.43140004       4.10025996       0.97077440       0.69840905      -0.22817390
Li       1.98960001       7.09304995      10.71120001      -1.01602713       4.74523848      -0.97492848
Li       6.37205999       8.89658997       3.40758999       0.34274760       0.03499206       0.22621863
Li       1.58583999       6.07913996       4.54547001       0.41606623       0.26057172       0.45629366
Li       1.53269996       2.37076004       4.70687996       0.84156160       0.08316291      -0.27075920
Li       7.21508996      11.17489999       6.11979000       1.63086455      -0.17097485       0.34098110
Li       5.72275997      10.07390000       9.85899003       1.30092989      -1.71155563      -0.36813191
Li       6.26903005       0.55878804       1.88417002       1.99198537       2.30158628      -0.80708443
Li      10.81210001      10.60450001       4.25369995      -0.20393148       0.31390093       0.09353306
Li       8.15550004       3.38258995       7.65017005      -0.28623699       0.48260630      -0.57427122
Li       5.33816995       2.14746006       4.43091995       1.01135967      -2.24690335       1.19306128
Li       5.27510998       1.91143999       9.70935996       0.32322065       0.59962849      -0.16468996
Li      11.29540001       5.67698001       7.23283001       1.02083076       0.16992111      -0.17581658
Li       7.94479998       5.80860003       5.04481002      -0.77120812       0.59551664      -0.22344432
Li       1.52797003       0.98931303       8.74031005       0.51423560      -0.02167274       0.48326367
Cl       3.41387998       0.98921295       5.29320005      -5.51551624       3.66408864      -4.77548984
Cl       2.54055004       5.82095004       6.73942998      -0.25103959      -0.66856702      -0.65111733
Cl       7.62274004       1.35316005       3.41670994       0.29199309       0.05125122      -0.41283468
Cl       1.12034998       9.20022005       0.73886895       0.84232003      -0.71176371      -1.61142455
Cl       8.68994001       9.44858004       4.74862003       0.17439845       0.22083871       0.00715557
Cl       3.38551002       2.11185005       8.13300999      -0.42210019       1.65529062       0.52864051
Cl       9.69671005       3.22793005       1.22212000      -0.01089912       0.09033395       0.16280014
Cl       8.30234004       8.76684000       8.66023996      -0.16779811       0.95876105       0.23336374
Cl       4.71992001       7.05135998       9.65119995      -0.36395044       1.27830378      -0.14574139
Cl      10.95829996       1.98155003       4.48659004      -0.52435067      -0.21194004       0.61081316
Cl       1.59005999       4.69544996       2.92591998      -0.10164203      -0.29350903      -0.02433500
Cl       9.42286004       5.30008996       6.48230005       0.92277079       0.28383570       0.67110414
Cl       2.47637002       5.39679999      11.04510004       1.14981838      -3.37951418       1.44180265
Cl       8.84704995       6.13107005      10.65660000       0.20012597      -0.27586008       0.02605010
Cl       5.53102998      11.24089997       5.07496005       1.51565167      -2.21744567       0.00213795
Cl       6.46807999       7.17599000       1.52368995       0.25849222       0.71217818       0.14699475
Cl       0.97101203       0.26453505       2.20444005      -0.77830204      -0.63292354       2.62295293
Cl       7.92499005       0.40627299      11.16189996      -0.13432571      -0.26560129       0.07793885
Cl       6.66842998       5.06187002       8.36570002       0.19618240      -0.79000502      -0.13086791
Cl       5.66488003       6.96558996       5.67303996       1.90406801      -1.75901732      -4.00573712
Cl       4.45650994       0.05103244      10.11790002      -1.42653700       0.92210829       1.72068504
Cl       5.06402003       3.74572997       3.42903003      -1.43283464       2.37537404      -1.97484524
Cl       0.50447498       6.98245002       8.75259999      -0.25737300       0.51025396       0.79280496
Cl       5.93478002       3.59321996       0.11171987      -0.17863104      -0.76638802       0.33917114
Cl       3.78313000       9.75295002       7.84183997      -0.31574875      -0.61544458      -0.84928788
Cl       7.22796996       3.72975999       5.45900999      -0.31149171      -0.36795817      -0.07293631
Cl       7.76263005       1.27281000       7.71797003      -0.01452534      -0.51170627       0.43591803
Cl       9.95355005       7.00123000       2.59516003      -0.44727272      -0.51759887      -0.07427047
Cl       0.37972504      10.75460000       7.95776001       0.57415197       1.08126568      -0.26892984
Cl       1.44616001       9.30501996       4.76041998      -0.99459727      -0.93952271       0.22186322
Cl       5.25826999      10.47389996       2.16049001      -2.48862248      -2.62029201      -0.21365915
Cl       1.79465005       2.11948996       0.12768101       0.79989888       0.69398903      -1.57908316
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.52186928 stress="-0.012021731730414724 -0.0026723059520505025 -0.00701826072358077 -0.0026723059520505025 -0.020843158398682334 0.005366453447377629 -0.00701826072358077 0.005366453447377629 -0.008037360227844364" free_energy=-222.52186928 pbc="T T T" config_type=melt 
Li       1.42293005       3.03878995      10.93700002      -0.58042294      -1.13642652       0.56037806
Li       5.54171996       8.10316996       3.61637001      -1.82181838       2.20174709      -1.70738678
Li       4.24865005       3.09640002       8.14180997       0.17844800       0.01492244      -0.31842926
Li       6.89496003       5.47374996       2.89426000       0.45657793       0.39738689       0.01108623
Li       9.68833998       7.14393003       4.54319996      -0.19689450      -0.61730624      -0.03093927
Li       8.62431997       0.05528615       3.30888999       0.28007007      -0.21375002       0.45822961
Li       4.60446003      11.26849999       1.68840002       0.20719644      -0.74376163       0.76646626
Li       0.31223597       3.68077003       6.77920003       0.17054559       0.52914858       0.30167240
Li       2.83254996       5.99103995       2.71660000      -0.43463632      -0.20780952      -0.19357006
Li       0.48066195       8.38892998       0.92968204      -0.71363614      -1.07181467       0.94393899
Li       1.57943994       6.44028003       9.68550005      -0.12441642      -0.52095164      -0.12442562
Li       0.62134300      10.05890002       3.87466001      -0.08983825      -0.06925869      -0.58709868
Li       4.20660996       3.53659994       4.58032004       0.06948121       0.02247419       0.35777653
Li       7.15703003       7.80665002       8.58864003      -0.98834411       1.18161614      -0.13611073
Li       7.73341998       9.70767999       5.94670998      -0.50322187       0.56369300      -0.42030807
Li       8.05884997       8.92643000       0.46449296       0.13038702      -0.99549545       0.50790898
Li       7.97934003       4.35840998       6.50556005      -2.24411750       1.32497936      -1.56202401
Li      11.25579998       0.14569999       0.31825495      -0.28407575      -0.57177614       0.28362118
Li       7.13352997       0.58831705       0.36971994       0.43327416       0.09102100      -0.13659795
Li      10.64770005       5.32070996       1.49858994       0.50908961      -1.88406058       0.20495612
Li       1.19649000       7.20266004       5.81520999      -0.08152857       0.13340290      -0.37485071
Li       0.43858300       2.53505006       3.01035005       0.08066614      -0.31353471      -0.35525323
Li       3.49374005      10.39290001       5.50437999       0.37746021       0.55080728       0.36458882
Li       0.12371987       0.53446898       6.21850995      -0.41016945      -1.13617928       0.42161169
Li       5.42591995      11.36289011       8.33648995      -1.97325254       0.48924085       0.06035367
Li       6.68284998       5.17430996      10.27840005      -0.60255226      -0.65658447       0.53417777
Li       4.55536998       6.76480995       6.84523004       0.00978515      -2.39937015      -0.95802451
Li      10.04589998       5.37024001       8.87594005       0.54528893      -0.50929609       0.44008160
Li       3.65330001       8.22455995       0.61199503       2.12569056       2.39259511       1.03385200
Li       1.50073995       9.44890000       8.39542002       0.05381447       2.15344634       0.68686184
Li       4.39933999       3.59659997       0.42937799      -1.60858252      -2.14407728      -2.40213169
Li       8.49289999       1.76880004       8.50164999      -0.04221926       0.12878681       0.05674393
Cl       9.74620994       3.78858001      11.28819998       0.31191192      -0.04372500      -0.06462862
Cl       9.71282997       6.95779999       0.99964796      -0.66552934       2.31327472      -0.59384698
Cl       8.87673005       4.93030995       3.93199001       0.42669496      -0.47382109      -0.53729161
Cl       1.80842002       3.95269003       1.55902000      -0.59198967       0.20692233       0.54283537
Cl       4.97298000       5.88441996       8.57036001      -0.00478294      -0.87412148       1.84394967
Cl       9.08365996      10.57250000       1.35137999      -1.38162766      -0.27657150      -1.21645849
Cl       2.32348995       5.37859999       4.96756004       0.93340837      -0.60044741       0.15019144
Cl       8.03658003       6.06707999       9.00265004       0.57485232      -0.15933111       0.46618231
Cl       1.34025998       7.55716000       7.98194001      -0.34995478      -1.56580159      -0.60530895
Cl       6.29982999       2.28228996      10.46989996       0.09886068       0.66888055      -0.55214868
Cl       2.57407997       6.86942002      11.40295204      -0.95095145      -2.38388370       0.52811856
Cl       5.89057995       3.38806999       6.40678003       0.03989091       0.40742290      -0.39779096
Cl       1.54459002       4.28841001       9.29002996       0.07784778       0.01401335      -1.39060380
Cl       0.65955299       2.23470002       5.20511998       0.46629192       0.68833493      -0.45429882
Cl       9.58439003       3.71728995       7.26171003       1.54257284      -5.14625313       2.35760207
Cl       9.59124005      10.80730003       5.46423002       0.41021630      -0.05367952      -0.03357823
Cl       0.54783106       0.69499103       9.95124997      -0.08805380       2.06277083      -1.68741902
Cl       5.90763994       7.61553004       1.36217005      -0.26000602      -0.34817469       0.07182312
Cl       7.35247995      11.09290001       8.12055004       2.03576642      -0.48304956      -0.78811698
Cl       0.89358297       7.69956998       3.33310003      -0.49219395       0.20576444      -0.24346303
Cl       5.21246996       4.39929000       1.87617999       1.27020646       1.31749456       3.13373309
Cl      11.14790001       0.17477203       2.50935998       2.34092114       1.66501834       1.53912832
Cl       9.97880998       6.12176002       6.73859997       1.29788177       3.81458334      -1.64924308
Cl       3.81277995       1.07141000       6.72324999      -0.08021922      -0.39115233       0.62018438
Cl       6.79086001       7.15445997       4.63904994       1.93126612      -1.23525970       2.23610956
Cl       1.36306003      10.00100002       5.88591995      -0.43301943       0.27187072       0.89466604
Cl       6.55015002      10.10709998      11.04159999      -1.52365282       0.22387596      -0.84244562
Cl       3.81906995       9.77044004       3.47982000      -0.83099341      -0.37955532      -1.53519763
Cl       6.58590998      10.78660001       3.85585997       0.43582392       0.33376082       0.04576728
Cl       1.14809996       9.63579001      10.96629997       0.63431283      -0.24433212      -0.33442240
Cl       4.28149005       8.57920000       6.56352998       0.15269975       3.05148276       0.06983521
Cl       3.58396003       1.28968004       0.63123404      -0.25650064       0.42987379      -0.26101863
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.80945722 stress="-0.004737253578329085 -0.003874800917329676 -0.0032970616419070896 -0.003874800917329676 -0.007699524109795324 -0.005495097366733465 -0.0032970616419070896 -0.005495097366733465 -0.02588475005913655" free_energy=-220.80945722 pbc="T T T" config_type=melt 
Li       5.18410997       8.48662995       5.44076000       1.48440971       0.59493320      -0.68225249
Li       4.48440999      11.32509995      11.35320004       0.32483004       0.10780731       0.45450157
Li      11.29100002       9.84190000      10.35380005       0.45890423      -0.22597401       0.69553414
Li      10.49510005       6.61152003       4.67938002       1.26440345      -0.22994094      -1.50573800
Li       9.63769996       5.59824000      10.62729994      -0.97112713      -0.55176072       0.47342136
Li       3.90367003       2.30271003       8.66352001      -0.05497651       0.31486676      -3.03706932
Li       2.91808002       5.91765996       5.80307998      -0.05421181      -0.15806204      -0.11820063
Li       1.57224003       1.80882999       1.09395004       0.18995198       0.08520978       0.31541042
Li       9.72227998      10.04199995       3.67004004       0.04010992      -0.74709006      -0.93128573
Li       4.26439005       8.60553998       9.32607996       0.62900810      -0.10028653       0.21856340
Li       2.90721005       8.64583005       1.03807004      -0.09415554       0.86294214      -2.30333130
Li       5.23365996       3.39725999       2.35394997      -0.07093409      -0.44296853      -0.12139595
Li       9.22962994       4.93521002       7.43291999       0.03673530      -0.06809192      -0.16991114
Li       1.42340995       9.31973999       5.61361005       1.94599657       2.02251622      -0.05761089
Li       1.70644995       5.69075996       2.43689002      -0.22009969       0.11493777       0.12814231
Li       8.28273005       8.52116002       9.60263004       0.49044266       0.61868695      -0.52610847
Li       1.33468995       7.88232998       8.52376997      -0.08123077      -0.30976384       0.17164801
Li       7.17846995       0.07500712       5.16035002       0.45927137      -0.90830311       0.73635513
Li       5.35327001       7.18512004       1.87790995       0.09646653      -0.42231540       0.53057621
Li       7.09100002       3.57442003      11.00309996       0.22297839      -1.14628654      -0.11828022
Li       8.14860003       1.82325996       8.10764997      -0.08967096       0.12598870      -0.11055757
Li       5.34676999       5.69383995       9.63591004      -0.06364364      -0.84077728      -0.02361022
Li       8.72257997       0.59504796       0.79818697       0.49812147       0.70743576       0.24187516
Li      10.01000005       3.17013999       2.60340995       0.33118259       0.12661325       0.73225153
Li       1.80280998       5.09710995       9.91928996      -0.71884455      -0.77217623       0.13351063
Li       8.93680999       7.59574006       2.02661004       0.18590163      -0.37131731      -0.10334407
Li       6.85723005       5.23100999       5.40181000      -0.65999028      -0.97836225      -0.06079142
Li       4.01909997       1.84527000       4.97266004       1.03446709       0.81158827      -0.10838048
Li       1.24340000      10.43360004       2.97119002      -1.62516238      -0.74751454       0.79512273
Li      10.42719999      10.51539997       7.26194997      -0.21558311       1.01282964       0.36557579
Li      11.22809998       2.65846005       9.10073005      -0.82920408      -0.51761869      -1.37531734
Li       0.24917005       1.99562002       5.16567999       1.86549941      -0.46264847      -2.96754270
Cl       0.37031998       7.75978003       5.66850997       0.08342378      -1.63894958       1.92712227
Cl       6.93661996       3.07785001       6.58594999      -0.49278604      -0.56266200      -1.26785374
Cl      10.94619999       5.68404005       8.96283001       0.88383346      -0.67224058      -1.21173230
Cl       3.10496005       8.21327004       2.86058998       0.35426624      -1.83095519       3.49609844
Cl       2.73997005      11.17120001       2.03118004       1.69257124       1.66033060      -2.05943545
Cl       5.07603998       8.75440997       0.43303200       0.37743895       0.91864555      -0.49169286
Cl       7.60331003       4.12706001       8.91271998       0.82676874       0.48394853       2.05555502
Cl       3.89493000       2.34895005      10.54049998       0.64482619      -0.34986895       2.30912733
Cl       3.33241000       6.61281997      10.00090005      -0.09467103      -0.89962435      -0.29899529
Cl       8.77774001       6.03555001       5.34159994      -1.11662758      -0.72075893       1.12633564
Cl       2.94058005       3.86429997       6.68771003       0.21995428      -0.27206583       0.36950902
Cl       7.51230004       8.66725003       4.06827003      -0.39949238       0.09320247      -1.02837013
Cl       6.90697001       9.87437005       7.57843002      -0.39754393       0.38421059      -0.18705673
Cl       0.09476626       4.32159004       3.45388000       0.21987794       0.81408103       0.83631475
Cl      10.46579999       7.31504002       0.10398297      -0.55802689       1.07169301       0.04228826
Cl       8.71394003       2.90038995       1.13111999      -0.43849374      -1.48355419      -1.02176070
Cl       2.42463998       0.55021597       5.20194999      -1.33710081      -1.13146172       0.43366180
Cl       6.34316004       1.63220005       4.11963998      -1.31277417       0.11171170      -1.65759135
Cl      11.33849997       8.04753002       2.85253999      -0.85446620       1.18802050      -0.26354371
Cl       9.41878002      10.81519995       5.49611998      -0.04357001       0.93052693       0.26217117
Cl       3.62261002       7.94923001       6.65329999      -0.89971320      -0.05057854       0.86685680
Cl       2.76185995       3.86036004       1.75884997       0.82501073      -0.16710259       0.07514790
Cl       6.65236004       7.24317997       9.62106999       0.06308055       0.48951026      -0.62887451
Cl      10.76379997       1.07469005       2.61177005       0.62834621      -1.56327890       0.20122877
Cl       0.79791195       2.98602996      10.76720004       0.24975628       0.53329839       0.80398373
Cl       7.58438996       5.29986996       0.54336400      -0.95512169       2.75340310       1.00303201
Cl       2.10493996       9.25496004      10.55610000      -0.50907257       1.01267057      -0.85084700
Cl       6.88261002       0.59558597      11.23630004      -0.89766418      -0.35066946      -0.53166556
Cl      10.76260000       2.31696001       6.71775000      -1.90006917       0.87827705       3.28614089
Cl       5.24532005       5.04151003       3.73438996       0.00618238       1.14024133       0.46346436
Cl      10.85929994       8.96696999       8.48349000       0.04052067      -2.44509548      -0.29469555
Cl      10.36180005       0.08537690       9.39914996      -0.71850998       2.16999738       0.56431624
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.48362285 stress="-0.020428135746767728 0.004891301532091362 0.011821216121942304 0.004891301532091362 -0.017945258373351994 0.005229212835359332 0.011821216121942304 0.005229212835359332 -0.03207230720564513" free_energy=-218.48362285 pbc="T T T" config_type=melt 
Li       7.56596996      11.34340003       8.50345997       0.53698245       0.16063846       0.46178993
Li       3.54564996       3.51487995      10.03120002       0.22512304       0.15366859       0.99126683
Li       2.88079004       6.93211003       0.99939403       0.03764026      -1.27226560      -0.11747070
Li      10.74339997       6.06052002       4.07970004       0.92235724       0.27599824      -1.53181238
Li       0.23785905       8.85414003       1.61801002       0.47783957      -0.74912653       0.71821988
Li       1.44863996       0.04767983      11.16200004       0.23046402      -0.16480633       0.31533884
Li       6.17562001       2.12040997       3.93573998      -0.29542452       0.27080173       0.28411239
Li       2.79965997       0.30024995       3.23870005       0.65635761       0.00413212       0.25734576
Li       6.35784005       4.81774998       1.26649995      -0.73646169       0.71340370      -0.88714925
Li       9.40186000      10.50060004       0.47837403      -6.81489798       1.88079533       2.16156560
Li       2.59574001       4.61129997       4.96593004      -0.33683057       1.45791760       1.38715978
Li      11.31739996       4.82953996      11.12270003       0.66739589       1.05219080      -0.21876282
Li       5.01720002       8.38183004       9.56746004      -0.21522019       0.83729289      -0.65111850
Li       0.48073601       7.90919996      10.12759995      -0.76957546       1.21952670      -0.02764021
Li       5.67390999       1.29545998      11.31110000       0.66965818      -0.09819111       0.13844511
Li       0.32000600       5.06555005       7.63230996      -0.04630596       0.86806487       0.60412357
Li      10.45939994      10.75609998       4.97711001       0.04227081       0.08124655      -0.89191033
Li       9.31671995       1.89808995       1.37234002      -1.28089798      -0.47371374      -0.00881966
Li       9.18426005       8.03879000       6.66305999       0.06621238      -4.09908264       2.77790498
Li       7.90386001       8.08495001      10.43959998       1.80207688       0.33389367      -0.01574490
Li       7.79592003      10.20699994       3.39211000      -0.40178685       0.52693087      -0.35087222
Li       5.49084997       8.18806994       2.47237999       0.74304459       0.57952027      -2.10459383
Li       6.08564995       6.30396997       4.98323996      -0.50045081      -0.25941082      -0.52368769
Li       5.10395998      10.32199997       5.69948003       0.70150705      -2.05281807       0.84640093
Li       3.84521997       1.17740002       7.82477998       0.70731961      -0.34041788      -0.91332404
Li       2.42033996       8.46349996       5.19245000       0.85269080      -0.42859286       0.45879581
Li       5.06649998       4.77249004       7.60895998      -0.36927922      -0.17618041       0.14788174
Li       2.64111998       3.54044999       1.99179004      -1.12812553       0.87368121      -2.71916456
Li       8.80843997       3.22307997       9.83297001      -3.26733939       0.50374673       7.07275829
Li       0.65997396       2.03428996       4.15406997       0.05743966       0.66351224      -0.81489712
Li       9.32373001       3.66384004       6.24514996      -0.31871438       0.62861243      -0.55490028
Li       0.61216401       1.62772004       7.54332995       0.26348439       0.59517091       0.40894418
Cl       9.90331999       3.49985005       0.33039700       0.01247510       0.48556933      -0.53041278
Cl       0.49011506       0.58915004       5.67531000       0.58590358      -1.03257909       0.53403237
Cl      10.58660003       6.50605003       9.16896005      -1.97011871      -0.10050207      -0.98991508
Cl       3.90812998       4.52587996       0.58554395      -0.30335086      -0.56056651      -1.07621316
Cl       3.19012005       3.28154000       7.95476004       0.11863564       1.77354081      -1.73969482
Cl       4.05770994       0.49035798       5.67100001      -5.42347105       2.16137519       1.44972248
Cl       8.68446995       7.92782998       1.21302000       0.60723323       0.42204494       0.79556099
Cl       6.33902005       3.66263996      10.54599997       0.43819362      -0.59271184      -1.01455187
Cl       3.14358000       6.53210994       6.79877999       0.01280226      -0.08032437      -0.32778251
Cl       7.07777998       3.25599002       2.39183999       0.92612434      -0.80657721       0.51719329
Cl       8.11779998       0.48024695      10.85110000       0.57177585       0.80269419      -0.89698361
Cl       0.96129800       8.12490004       3.72553999      -1.03695634      -0.00628766       0.11658160
Cl       1.54442001       6.27881000      10.41280005       3.11877229      -0.82458315      -0.64563752
Cl       3.16833998       3.16597995       3.75865995       1.26578991      -1.76826194       2.27357804
Cl       5.47584001      11.13789995       8.34957001      -0.82623866      -0.09424346       0.16655662
Cl       2.83288999       1.13040003       9.63193996      -1.49551163      -1.32641631       2.04014696
Cl       9.98844995       0.69407400       2.94060000       0.24526580      -0.93009602       0.84693409
Cl       9.91162002       6.20336999       5.92687001      -0.60649151      -0.64587441       0.36302544
Cl       9.04557998       9.67269995       6.03006997      -0.55150893       4.78798449      -2.91154841
Cl       0.37075505       3.69380996       5.91637997       0.12289176      -0.08801404      -0.56135447
Cl       6.04724003       0.03389162       4.37001000       4.55727292      -0.49602850      -1.98267435
Cl       2.50772999       9.02832005       0.93287805       0.15561944       1.02873304      -0.23276425
Cl       6.34902000      10.83149998       1.48530995      -0.51574491      -0.69302927      -0.11048755
Cl       9.40445998       3.07948000       8.26292997       3.03035108      -1.19547070      -6.39605893
Cl      10.93260003       9.94852995       0.00253590       6.58491913      -1.51199719      -3.21424638
Cl       1.01464003       5.41107004       1.51329999      -0.76221018      -0.39608724       2.46854663
Cl       7.73848995       9.15321994       8.54750998       0.27646898      -1.11502071       0.21373089
Cl       4.97087000       6.11609002       2.66110004       0.82220935      -0.82730326       0.39559773
Cl       1.86117004       1.43700005       1.53734001      -0.46008172      -0.62872551      -0.01774590
Cl       6.13662002       7.47097005      10.99340003      -2.09845075      -1.35493099       0.96914160
Cl       4.67808994       8.31204994       4.28013005      -0.63572292       1.73200633       3.05283321
Cl       6.65817002       4.25020002       6.10382003       0.05459994       0.31554319      -0.25529549
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.47190861 stress="-0.013807980239378114 -0.0021801116585111013 0.0007986426673490505 -0.0021801116585111013 -0.0034627106137835365 0.0010714371984424853 0.0007986426673490505 0.0010714371984424853 -0.01766786785084013" free_energy=-226.47190861 pbc="T T T" config_type=melt 
Li       7.54112996       2.21672999       5.85784003      -0.24557772       0.40258067       0.10593091
Li      10.56650005       3.30522005       3.98642000       0.62409636       0.59445759      -0.07194433
Li       6.09404994       5.93781003       2.66090997      -0.92338799       0.20540891       0.37793612
Li       0.79611996       5.86795003      10.48680003       0.01650154      -0.08012729       0.01624484
Li       6.24979001       2.06371005       9.26157000       0.74004258       0.30457062       0.85152694
Li       1.06495997       9.57842998       9.83621005       0.12953456       0.09223645       0.17504132
Li       3.71617001       8.61190002       1.45776002      -0.17324580       0.06959392       0.49886042
Li       9.07810002       0.16356203       9.58967001      -3.43163507      -0.09662128      -0.00276874
Li       9.54800997       6.40721005       3.75427005      -0.57869701       0.36501239       0.08821849
Li       0.82634004       8.75051005       6.22776999      -0.06414708      -0.79779890      -0.29090813
Li       3.96080995      10.97899998       7.72066998      -0.28567891       0.21614119      -0.04290828
Li       9.78445994       4.09141997       8.41285994       0.56479550       0.33213533      -0.41451418
Li       6.88503001       2.39461996       2.66015997      -1.71309151       0.75282870      -1.11592189
Li       2.66666996       2.98342997       7.53198995       0.91655133      -0.23436203      -0.54857158
Li      10.09519994       0.61114598       1.92977997      -0.11378706       0.28808677       0.39968356
Li       0.61958805       5.29664002       6.31195002       0.54304796      -0.06835353      -0.72236623
Li       0.02681988       8.92582996       2.40361002       0.09935454      -0.08003869       0.02188102
Li       5.65059004      10.23590002       4.23738995       0.12709078       0.20923301       0.06843451
Li       7.95833999       5.17544997      11.15489998      -2.16618941      -0.41614405       1.31382639
Li       6.81491000       5.61354000       6.75489002      -0.57401422      -0.22088025       0.90180860
Li       4.02563999       3.85760999       4.67631000      -0.27609290       0.28408031       0.55609051
Li      10.90139999       0.51820598       6.78972000       0.05698599      -0.05254424      -0.09898681
Li       4.41119004       7.58165997       5.60378998       0.58386128       0.16098385       2.81077819
Li       6.18217999       0.09021987       0.78107699      -1.07379091       0.04404363       3.38311883
Li       7.20179999      10.42109996       7.43313002      -3.44399996      -0.20739100      -0.11888640
Li       2.16637004       0.30120997       4.10111004       0.32954979      -0.30149274       0.74965987
Li       0.71030100       2.29124001       9.99121995      -0.66975949      -0.90364472      -1.13834257
Li       4.10323999       3.88662998      11.12960004       0.27879503       0.05923605       0.24638072
Li       4.49949996       7.79691994       9.16375000       0.91595919      -1.37123577       0.38254418
Li       1.58219997       2.74899003       1.99275006       0.49888890       1.40305870      -0.30247145
Li       8.83402997       8.18123998       0.44003897      -0.02127917      -0.47026503       0.09671334
Li       9.33345998       8.13435005       6.38041000      -0.73683751       0.26428881      -0.27680453
Cl      11.39459939       5.81025994       3.08070003       0.92092402      -0.86138792      -0.07998805
Cl       9.06847002      10.32279995       7.51614998       2.70997774      -0.05971968      -0.11897570
Cl       3.10973997       6.14608998       5.49822001      -1.83184921      -1.46603673       0.46960513
Cl       3.56000003       5.82755003      10.18179997      -0.22220654       0.22410280      -0.51718047
Cl       1.44821005       3.65431001      11.23490002       0.73461317       0.33599640       1.83823642
Cl       4.60628996       4.05378996       2.58421003      -0.15939817       0.10219916      -0.22269000
Cl       1.47548999       3.03341997       5.35128004       0.90266203      -0.44593622      -1.24831917
Cl       6.77112001       0.07251994      10.49389997       1.59552839      -0.49376584      -3.70127066
Cl       6.52751002       3.14784002       0.14718003      -0.18403478       0.20520144      -0.36585964
Cl      10.39970005       6.49300998       7.14436005       0.56429180      -0.27877454       0.64118446
Cl       4.96766000       0.14320502       5.82457997       0.33930007      -0.57738905       1.26005379
Cl       8.06565001       5.93148003       1.99823996       0.85767541       0.43995804      -1.44102708
Cl       7.82275997       6.03064995       5.05207001       0.31903542       0.41345273      -0.40544755
Cl      10.94237011       0.19509396       9.63192999       3.88090812       0.55524280       0.36354042
Cl       8.69341002       2.31529998       3.42521999       0.20478463      -0.30593951      -2.62484653
Cl       4.91951003       8.28741997       3.96341005       1.06501738       0.64977058      -3.22793752
Cl       5.68401002       3.67942000       6.34120996      -0.65010308       0.07931974      -0.78819283
Cl       0.89184796       0.89076298       2.46656004      -1.74781250       0.94535363      -0.48674392
Cl       5.68948994       0.63811903       3.14947998       0.12773149       0.00379343      -1.98251608
Cl       0.00601989       8.04513995      11.19359995       0.12505813       0.02322844      -0.06230225
Cl       0.86731395       3.93388001       8.04662996      -1.00950506       0.02918832       1.75154876
Cl       9.29497003      10.08880001       1.41270999      -0.00122780       0.14290617       0.22383208
Cl      10.69040003       8.83627994       4.72516996      -0.36423106       0.12705378      -0.62335786
Cl       3.47736997       9.52083997       9.38013003      -1.47767538       1.26286747       0.08845363
Cl       2.16351005       9.93897998       2.68412995       0.68290658      -1.69072431      -0.29992421
Cl       1.54621004      10.72049995       6.36329005       0.17962018       0.90770086       0.39698207
Cl       7.92357995       3.05417994       8.22870004       0.20317826      -0.55364192       0.24723286
Cl       9.71935005       5.04983000      10.39159996       2.16882085       0.14034588      -0.57688665
Cl       4.35620001       1.67354002       8.55638000      -1.73776967       0.04015676       0.30666671
Cl       5.44565995       8.03739996       0.30267304       0.69866614       0.11511381       0.01268639
Cl       9.80119997       2.21425004       5.69884995       1.42951785      -0.66491184       3.32374369
Cl       6.30153002       8.10368998       7.52802995      -0.25824802      -0.09180207      -0.04958388
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.6849953 stress="-0.012721547003864507 -0.00831741863974152 0.0014090979176020694 -0.00831741863974152 -0.018772502450436455 -0.0002618446646603321 0.0014090979176020694 -0.0002618446646603321 -0.014553270355647421" free_energy=-224.6849953 pbc="T T T" config_type=melt 
Li       3.73833998       5.40647997       9.70960003      -0.07422150      -0.85195910      -0.82654778
Li       9.82085995       7.33005995      11.46342692       0.42647278      -0.01491636       0.14560457
Li       4.66064005       1.72391005       4.24828996       0.86827607      -0.49697651      -0.45222131
Li       7.39475002       4.97904002       2.51528999      -0.00182723      -2.55960873      -0.74690312
Li       3.45203001       7.47358001       6.82040999      -0.29645690       0.03464337       0.40928672
Li       7.04488002       5.81657997      10.65150001      -0.15910690      -0.70046512       0.31254565
Li       4.20677000       3.73780001       1.61145005       0.98292560      -0.03006051       0.29378985
Li       8.51694999       1.83567004       3.65586996       1.10627144       0.48985562      -0.10337480
Li       0.15362101       2.70555004       4.53773001       0.45398921      -1.74322718      -0.26361852
Li       5.55230997       6.99159003       4.34741001       0.19114969       0.08180633      -1.70218559
Li       5.71567000       3.79895999       6.79508001      -0.53617342       1.24747752      -0.24570169
Li       2.41219000       2.88910004       6.97445999       2.65775880       1.73488358       0.07417860
Li       7.17827002       8.47673994       7.23956998       0.86014350      -1.02859148       0.38301679
Li       2.39582004       5.57231996       3.76698004       0.22382087      -0.41104533      -0.01808917
Li       9.31907001       4.55396997       6.62388002       0.29753304       0.45905708      -0.53992345
Li       4.51135001      11.42320002       7.96857002       0.40857761       0.13750088      -1.53584879
Li       9.11930000      10.27239999       3.55183001      -0.26777238       0.09581414      -0.86956752
Li       6.09280997       0.37893802       0.85500303      -1.29109697       0.42901907       1.00518707
Li       9.31299005       7.08229003       3.71123005       1.18121016       0.24137679       0.61615006
Li       0.88698000       4.75307000      11.40439998       0.03144732       0.01077047      -0.58134462
Li      10.41919999       8.52886000       7.12072002       0.12844143       0.26076530      -0.13832677
Li       5.35991000       8.88435999      10.95670001       0.09950143      -1.31852529      -2.84379727
Li       8.76680996       2.97301995      10.45910004      -0.49425666       0.10785762       0.97423592
Li       8.28326004      10.22519995      10.61919997      -0.02756994      -0.12629302       0.28534300
Li       7.79136000       0.84444099       7.12040005       1.34494899      -0.27680075       0.26397859
Li       0.92944496      10.92680002       5.21777001       0.69324421       0.32104343       0.52218153
Li       0.42909104       0.18485005       1.34570001      -0.25964717      -0.12366428       0.68101208
Li       4.06938001      10.07900000       3.77807999      -0.01662683       0.03304452      -0.12572646
Li       1.80425001       9.63710003       9.87024004       0.09178841      -0.09264170      -0.08781158
Li       2.95351004       1.65003996      10.93169997       0.03453387      -0.45506543      -0.41539610
Li       3.18081002       7.26971003       1.04851996      -0.32751091       0.00098434      -0.04242825
Li      11.19410003       1.33690003       8.64659999       0.02082254      -0.17857818      -0.03873918
Cl       9.26676997      10.12059997       8.57800003       0.10396186       0.23926088      -0.53755618
Cl       5.56903005       9.64203999       6.94786997      -0.93126446       1.79601202      -0.33739031
Cl      10.56709998       9.80796000       5.07877995      -0.39290968      -0.35381024       0.05744907
Cl       2.99515999       4.92581997       7.72132001      -0.09448290       2.57141414      -3.48848922
Cl       0.83053699       0.24317905      10.76690002      -0.05927271       0.63312970      -1.15615656
Cl      11.07500003       4.50785994       4.96602004       0.64099756       3.75320422      -0.18377913
Cl      10.22830000       4.83169995       0.10361302      -0.52731499       0.15270825      -0.18484481
Cl      10.72540002       1.33331996       2.91598000       0.20915628      -0.49577266      -0.34637298
Cl       5.33740000       9.89210002       1.04736998      -0.20587487       0.33395561       3.73798072
Cl       8.47456001       6.98320999       5.89290995       1.40763552       0.12195928       0.87786071
Cl       2.43852001       4.84980996       1.34125004      -0.38291022       1.00391421       0.72753844
Cl       4.18963996      10.94350003       9.88457005      -0.85168229      -0.05173993       0.80182479
Cl       7.17030005       7.69904996       9.93092002       0.99543239       1.26646634      -0.45106235
Cl       3.14613000       0.36089003       5.07459996      -0.17155615      -1.44541049      -0.24545679
Cl       6.88491995       1.00079004       2.89913003      -1.06593268      -0.75060814       0.35902564
Cl       0.70701706       8.26269003       0.04661674       0.39857491      -0.30751676      -0.24993364
Cl       3.93116000       1.58945995       1.37133999      -0.01092574      -0.45908361       0.58133177
Cl       7.50500005       6.81579000       2.88942001       0.30712873       3.33364883      -0.19753232
Cl       3.50972996       3.39686000       4.54454002      -1.39076614       1.00683162       0.85738936
Cl       8.82619000       3.25503000       8.33344997       0.07806025      -0.14511403       0.92882994
Cl       9.26763999       8.90132002       1.55702005       0.14557943       0.94808573       0.00328421
Cl       3.11635005       3.54478005       9.78049995      -0.69001487      -3.93416190       2.99118189
Cl       9.08514000       2.62943994       5.49018997      -1.15912557      -1.31664896       0.09108796
Cl       1.53260996       9.24877999       7.40640999       0.00798859      -0.30213251       0.13421658
Cl       6.89374000       4.13999000       0.47151495      -0.02691237      -0.56113109      -0.41794603
Cl       5.51315005       6.78321998       6.31530000      -0.46711168      -1.35780311       1.58202412
Cl       3.04568996       7.97653999       3.37154996       0.14254875      -0.07389369       0.26836308
Cl       7.48315005       0.87572701      11.01799997       1.81828400       0.39891689      -1.65974433
Cl       4.11201005       7.16443997      10.30500005      -0.10650842       2.11110554       1.07722585
Cl       0.81471594       1.95123996       6.69163001      -2.74984285      -2.06996784       0.19889698
Cl       5.38854995       5.15622999       3.13115995      -1.79969202      -1.01222884      -0.12799613
Cl       6.01980004       1.74543997       6.73713999      -1.52183784      -0.31107050      -0.08020877
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.23237886 stress="-0.004932746457162633 0.00025280290870663045 -0.004374422706593023 0.00025280290870663045 -0.015476610298818812 0.00393116011570252 -0.004374422706593023 0.00393116011570252 -0.010688567838075896" free_energy=-225.23237886 pbc="T T T" config_type=melt 
Li       8.85128004       7.25051997      10.25869995      -0.21350025       0.16773820      -0.15049223
Li       3.81953998       4.41280994       9.60427998      -0.20454216      -0.41303623       0.45972735
Li       7.69987997       4.98450000       4.16843001      -0.10612889      -0.71165580      -0.77984084
Li       9.29565995       6.91488999       1.82922001       0.59238304      -0.35883709       0.54771428
Li      11.33840000       3.80730003       0.16795698       0.01309756       3.90913952       0.34519404
Li       4.37879003       8.04081998       1.96450001      -1.42342406      -0.67709115      -1.01602047
Li      10.95620005       9.97735998       4.23860000       0.81438603       0.30396170       0.38420278
Li       9.06689999       4.14869998       8.02313002      -0.07093007      -0.06801592       0.27177848
Li       0.46523401       5.71772004       3.91675994       0.26125802       0.36965126       0.41927025
Li       4.67182001       3.06065004       2.50064002      -0.17117169       0.43585710       0.22491303
Li       6.12321003       5.68205994       0.30490904       1.83542040       0.33361220      -1.49450969
Li       5.86795003      10.15879998       8.30605000       0.60013886      -0.79699208      -2.16124640
Li       7.50467997      10.24159994       0.02081994      -0.13282970      -0.01623486      -0.72383256
Li       1.27026000       9.10849996       7.51081003      -0.07758734      -0.15993218       0.32632918
Li       3.83342002      11.23860000       0.51019795      -0.07123282      -0.00051180      -0.26393291
Li       0.94237494       5.69377002       8.10364997       0.28662120       0.18183259       0.25249535
Li       7.42254998       8.79793995       5.28600002      -0.35468348      -0.10068679      -0.32238241
Li       9.21268000       1.81285005       5.63825997       0.09883570      -0.31198043       0.02780344
Li      10.48039998       0.63483302       1.91933005       1.08613188       0.35073440      -0.31613218
Li       5.53378003       1.38843002       9.62673999      -0.02500051       2.95231830      -0.55120371
Li       9.76742001       0.01311995       8.48959003      -1.03616307       0.08937514       0.31424837
Li       2.50744006       5.32675003       1.57224003      -0.87252038      -0.79272010       0.96095107
Li       7.38798002       0.64946305       3.57996003       0.05614057      -0.47597548       0.12264164
Li       1.43681994       2.18819998       6.93752002       0.67175029       0.16015109      -0.35980973
Li       5.74793003       6.51614995       7.36939000      -0.56434976       0.21358183       0.50413740
Li       2.15922000       0.87809301       3.98362994      -0.47659035      -0.08389908      -0.27657010
Li       1.17995002       1.66896004      10.08169995      -0.33369574       0.22398541       0.16964012
Li       3.73609000       4.74467999       5.49004999       0.01524908      -1.19375762       1.05687902
Li       3.60688997       8.34033003       5.22054001      -0.37361580      -0.16377473      -0.26009067
Li       0.71218103       9.51933001       0.93367998       0.02956788      -1.51809733      -0.81715028
Li       8.34091001       2.46635001       0.12784105       0.08625365       0.24155820      -0.32532295
Li       2.19581994       6.98260995      10.99359997      -0.31235797      -1.44672225      -0.01948205
Cl      10.96390003       3.49582998       6.23928999      -0.35823606       1.57063119      -0.33930045
Cl      10.23910004       8.08380002       3.70659000      -1.03100950      -0.81662204       0.46035387
Cl       4.87169997       8.70828000       6.98486004       0.22440260      -0.07434206      -0.02824010
Cl       6.92854005       4.65833997       1.88071996       0.75309077      -0.36429374       0.74209089
Cl       7.12908997       6.17011005       5.78289001       0.44448716       0.44770188       0.06949051
Cl       9.32245003       4.83841996      10.55970001       0.82148336       0.48554817       0.16145474
Cl       0.91778601       7.14116003       6.53201995      -0.30613896      -0.32998496      -1.07897781
Cl       3.04400001       8.65600001       0.24023697       0.95701907       3.10973031       1.06966481
Cl       3.14305001       2.41812999       5.15200998       0.45152977       0.41449478       0.44196689
Cl       6.74598996       6.36392001       9.34000001      -0.08968076       0.14214587       0.57191573
Cl      10.80889999       2.08232002       0.22029302      -1.08257661      -4.02866047      -0.96468927
Cl       1.24848005      10.98510001       2.22569001       0.26385945       0.59918408       0.44579002
Cl       0.71200597       6.75024000       1.87310000       0.01184182      -0.34126390      -0.65398373
Cl      11.23590005       1.06757004       7.67616003       0.64580485      -0.60889444       0.65356306
Cl       5.54407002      10.99149994      10.01990003      -0.07943949      -2.09482157       2.77442130
Cl       3.09201998       1.63938002       8.98915004       0.07844149       0.33235593      -0.26203480
Cl       1.62581995      10.33210000       5.69580000       0.21427461       0.29187398      -0.68047898
Cl       7.92214003       2.68028001       4.03918000      -0.15341676       1.37635134       0.07761299
Cl       7.04590997       0.30539501       5.94034994       0.03081964      -0.94443911       0.35906667
Cl       9.26863005       9.66745000       9.27110003      -0.60581243      -0.93538404       0.30367070
Cl       3.55658001       5.42353997       7.68605004      -0.04205909      -0.19892101       0.05301662
Cl       1.04863002       8.05096002       9.61085004      -1.05918235       0.04135610      -0.64659962
Cl       8.56851002       0.30889104       1.06785997      -1.84082993       0.28856409      -0.77317067
Cl       9.61975997       0.16464105       3.73869995       0.52336380      -0.43210802       1.99794293
Cl       5.89755998       8.40027996       3.10375997       1.41502833       0.98133143       1.70055034
Cl       8.35458999       8.46751005       0.86754805      -0.11272637      -0.46392116      -0.68539573
Cl       1.78622999       4.28967005      11.14820003       1.27244323       0.98420317      -2.56227805
Cl       1.62325000       2.82628003       2.11335004       0.54020063       0.12715136       1.60628484
Cl       3.44085005       6.06004998       4.02230996      -0.42597884       1.00064973      -0.99047006
Cl       7.59109003       2.63794999       8.94582997      -0.32135541      -0.61783320       0.17653554
Cl       4.27148999       6.02670005       0.74547696      -1.00526598      -0.01691511      -0.35477694
Cl       4.70792000       2.05872997       0.58283804       0.23870785      -0.56844461      -0.19490290
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.26657463 stress="-0.026868572260469722 -0.0006453605966885921 -0.0014314640409961975 -0.0006453605966885921 -0.022214860645156657 -0.005333815291682978 -0.0014314640409961975 -0.005333815291682978 -0.016241791224619523" free_energy=-221.26657463 pbc="T T T" config_type=melt 
Li       4.47413994       1.14953999       9.87132995      -0.00110902       0.26350254      -0.31305464
Li       3.35583003       9.27959001       7.38925003       0.78627956      -1.43729519      -2.65133663
Li       3.70774995       0.38793095       5.68674001       0.76096671       1.63613811       0.82455729
Li       4.73768001       4.41246005       9.90482995      -1.60326985       1.82066716      -0.83394161
Li      10.40230003       0.30358503       2.97168998      -1.72436534       0.89480321      -2.41490003
Li       9.55642005       5.41175996       4.37055994      -1.44873098      -0.13398424       0.21427772
Li       1.59819000       6.01849999       2.50711000       0.24598256      -0.38924033      -0.32683277
Li       8.03842005       2.31800005       3.39527002      -0.57480658      -0.06226121       0.54952731
Li       9.61710002       8.07682000       8.04765005      -1.89200179      -0.13659545      -0.54793865
Li       5.50284997       4.41290005       2.26548998       0.00802892       1.40914530      -0.20754105
Li      10.05920004       5.72825996       0.52647001       0.59985884      -0.24099340       0.19627926
Li       6.69013003       6.61404997       6.64116001       0.22825140      -0.42588898       0.03033818
Li       8.09893001       3.17887004       0.04402765      -0.49483209      -0.69996822       0.43262744
Li       6.98104003       6.61613005      10.82569997      -1.57603397       2.62801507      -1.83721646
Li       2.86103995       1.95266004       2.21949001       0.11689366       0.40761061       0.21879002
Li       1.49127000       6.90041003       8.77265995       0.04866879      -1.12926063       2.08572387
Li       8.33110002      10.57650000      11.03439997      -0.88924181      -0.73071072       0.78769727
Li       8.55496004      10.85390004       4.93046999       2.29439132       2.52064382       0.10894053
Li      10.78070003       1.48804005      11.39599998       0.65788963       1.35712244       1.53723924
Li       6.42790996      10.42590005       7.69235000      -0.66585588      -0.65904804      -1.93597438
Li       9.65109998       0.92892402       8.36236002      -0.17665400      -0.13494107      -0.00404860
Li       2.25637003      10.17419995       2.73439004      -0.17040206       0.24105041      -0.32079153
Li       6.18156000      10.53350000       2.07401002      -0.17062965      -0.57248017       1.18858464
Li       0.53689998       3.49046997       9.68160999      -1.80940890       0.73096343       0.54992773
Li       1.89306000       3.83706004       6.05702995       0.42115597       0.79391531       0.39413747
Li       3.48377002       7.19439005       4.69052995       0.64736122      -1.02068695       1.48807569
Li       6.65562002       3.41988005       5.84009000       0.33036028      -0.12233151      -0.70538684
Li       0.42732600       8.57128999       4.60886002       0.04932447      -0.08699187       0.27060216
Li       1.28969998      10.38630002      10.13570003      -1.98213484       0.47690369       0.91239334
Li       8.03820005       8.05448001       2.62264002       0.77226829      -0.00924730       2.01682414
Li       0.84665898       0.43751201       5.74834996       2.31120304       1.64450718      -0.94809638
Li       4.28929998       8.63673005      11.13330002       0.35106009      -0.93478163      -0.37288799
Cl       5.96573003       3.06485995      10.51010003       0.95426920      -2.52356169       0.45000615
Cl       2.72908002       7.97314003       3.04060004      -1.28045269      -0.20730417      -2.05025394
Cl      10.13970003      11.38274120      10.43650004       0.89549395      -1.47510860      -0.72791720
Cl       0.12591987      11.02870004       4.25692004       0.30553979      -1.98628760      -0.60857751
Cl       9.83502005       3.11972994      10.23580005       0.56694653       0.06429956      -1.25961935
Cl       7.59274994       8.29891004       0.72685095      -0.10118539       1.08573542      -1.62457814
Cl       9.61095001       2.28433003       1.99673997       1.29303934       0.55595172      -0.42803624
Cl       7.90092997       5.26798998       0.22039104       2.37940647      -2.02966962       1.93862844
Cl       2.83134999      10.14649996       8.95501996       0.33032038       0.48574686       2.58384352
Cl       1.50032002       0.38890805       0.95434296       0.15735731       0.10604290       0.25293102
Cl       5.30236001       4.51509001       6.87873004      -0.92821965       0.86221060       0.94922856
Cl       5.00595001       6.36549005       0.18901995      -1.55804721      -0.10750478       0.01412189
Cl      11.06723607       5.15098003       3.11500999       1.33943231      -0.28216872      -1.10566907
Cl       7.74701994       1.53478004       6.00882001       0.92744034      -0.42564095      -0.33157102
Cl       7.99513001      11.28180005       2.11965001       1.74054029       0.20826873       0.11877517
Cl       7.23595999       9.59483995       4.87041998      -3.02320700      -2.99011421       0.13684922
Cl       2.29343003       2.01773003       5.12748995       0.19383514      -0.23266313      -0.65508615
Cl       3.27706997      10.16850003       4.77456003       0.07183503      -0.96752016       0.32376325
Cl       7.83206002      10.10410001       8.88809998       2.58362277       0.19804964       1.34529151
Cl       0.16929899       0.26272599       7.42210001      -1.64996689      -0.03944364       3.62211944
Cl      10.38469995       8.53372005       3.09960004      -0.60119291      -0.46905614      -0.78506317
Cl       0.08570226       8.27069003       8.36040994      -0.20412839       1.49114381       0.90164541
Cl       2.37252004       3.07450004       9.31469994       2.75438743      -1.25789800      -1.07350980
Cl       2.24762003       6.94926002       6.95349996       1.81090714      -0.31047765      -2.73810122
Cl       4.69843996      10.39039999       0.77751802      -1.47730658       0.65721774      -0.84887181
Cl       4.89050001       0.19712497       7.55679005      -0.73680612       1.42356190      -0.11635794
Cl       6.28952004       7.59861002       8.71210998      -0.46762117      -0.57053480      -0.51933088
Cl       1.12702001       5.25299000      10.96259998      -0.69456253       1.30223267       0.48720212
Cl       3.48259000       4.61788000       3.23195997      -0.87049505       0.17483154       0.09830546
Cl       9.34768004       6.68634005       5.97312999      -0.17642070       0.78732687       1.55196521
Cl       6.00356995       2.48426994       2.64335999      -0.57470861      -1.78514041      -0.17836368
Cl       7.07030997       5.07551996       4.10807000       0.58947947       0.35919292      -0.11036501
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.43053992 stress="-0.005033348942498812 0.0005832759059568472 0.0061853248458036665 0.0005832759059568472 -0.012542774566243378 -0.005679979723743576 0.0061853248458036665 -0.005679979723743576 -0.023873390825601543" free_energy=-222.43053992 pbc="T T T" config_type=melt 
Li       2.93097997       8.85802000       0.60774396      -0.26253856       0.25496292       0.25683975
Li       5.25216996      10.34110004       9.74296005      -0.63948010       0.29158205       3.91469656
Li       2.94124005       3.03297997       8.43394998      -0.05812417      -1.68787534      -0.00869523
Li       1.54427005       0.01128819       9.86266995      -0.71159176       0.28169091      -0.09879556
Li       8.92609994       3.09434000       6.69793995      -0.31021611       0.20470750      -0.36643052
Li       6.60534996       2.56014995       9.78628998       1.11192658      -0.27842039      -1.65054927
Li       5.69126003       0.75192895       1.04529999      -0.71995742       0.76323447       0.69216500
Li       1.84158997       7.58754000       3.95440004       1.81896186      -0.16428160       1.00455590
Li       8.57753000       6.17659001       9.68920003      -0.06332360       0.03295238      -0.22373212
Li       5.58624997       9.79102003       3.44993996       0.65319312       0.44868877       0.48022415
Li       2.78317995       1.04851996       4.75861000      -0.68937171      -0.79715541      -1.08520813
Li       5.37188995       3.94874001       5.19054005      -0.09730062      -0.11131511       0.58835060
Li       5.82215001       8.36591005       7.04788997      -2.54837502      -0.69595717       3.16016738
Li      10.79079995       0.17321988       6.97014002       0.33856546       0.73930989      -0.10720354
Li       1.90321999       8.77541001       7.66614002      -1.06396235      -0.63449500       3.62821278
Li       4.30868000       6.80176999       9.44205996      -0.32328022      -0.35418860      -0.03404112
Li       8.59463000       9.75598003       8.07211999       0.10760068       0.20727503       0.23385082
Li       7.51825998       4.19179995       2.38787002       0.44543880       0.16705894      -0.00342832
Li       4.46450995       6.08546996       1.85319996       0.07334474       0.11716359       0.20665176
Li       8.55437995       7.98598002       0.88761696       0.84392109       0.70068758      -0.00822237
Li      11.04819998       3.16208003       9.99001001      -0.05722299      -1.22311629      -0.72385565
Li       8.95421001       0.26063399       1.01667999       0.08912206      -0.34317134       0.01493453
Li       5.62492002       0.26654199       6.60384997      -0.14973399       1.09031073      -1.05113694
Li       1.68065005       5.09282999      11.11140003      -2.46504489      -1.96232242      -0.16209248
Li      10.86920003       2.10664000       2.65022996       0.21362984      -0.00815299      -0.06847629
Li       0.32439797       8.14232002       9.96121002       0.60069106      -0.12759295      -3.00979874
Li       0.31407198       5.58603995       7.09861001       0.35637197       0.46539310       1.80646942
Li       0.27561987      10.17330001       3.15470001      -0.39937184       0.24386748      -0.20368177
Li      10.69440003       5.74521999       3.31235003      -0.33727977      -1.76633589       0.03070193
Li       2.26674004       1.57331997       0.92723304      -0.08543333       0.22665823      -0.34465142
Li       1.77141000       3.98489996       4.28286003       0.85949694      -1.24513626      -1.01373976
Li       8.54758002       7.76955998       4.53414995       0.97772695      -0.31688499      -0.83262635
Cl       3.54269997      10.94940001      10.89959998      -0.07619347       1.64670136       1.14440505
Cl       3.27490001       6.08867996      11.31994905       2.83181226       0.18663599       1.86196909
Cl       9.85648004       4.61225998      10.64560003      -1.31768996       1.47801799      -0.23674466
Cl       5.40154001       0.61091704       3.97183996       0.56227036      -0.67243077      -0.23690382
Cl       8.50156000       0.94234399       7.17410000      -0.11326760      -0.81359709       0.10855443
Cl       6.88409005       8.27963996       5.62768005       2.06626181       0.05853417      -3.56112968
Cl       6.96864004       6.74835000       1.50630002      -0.77398936      -1.14954950       0.38165550
Cl      11.40991498       8.37359994       0.29766499      -0.96733365       0.01678251       2.95314190
Cl       0.35925603       0.35547202       0.90606700      -0.58832711      -0.41143673       0.40871936
Cl       1.54590005       2.72350998      10.32209994       3.23096718       1.16758343       3.79784021
Cl       6.67783997       3.89018001       7.22189000      -0.38799258      -0.21950451       0.88645243
Cl       5.49469004       2.84305995      11.36274004      -1.20996960       0.65696930       1.59569793
Cl       0.01705358       4.14689998       1.87002998       0.53934050       0.52456222       0.19915261
Cl       8.61302994       4.75086003       4.95114995      -0.03112339       0.43365567      -1.15085316
Cl       5.74250994      10.17629998       8.00656998       0.35470778       0.99757722      -3.47710282
Cl      11.37150002       7.62812000       3.49365005      -1.11500063       2.17919728      -0.30688517
Cl       0.46268298       1.85243002       8.27527998      -1.83156618      -0.98488162      -3.15246290
Cl       3.57267998       1.58149996       6.49719995       0.94720690       0.59708743       2.08403168
Cl       3.81459005       8.89087995       2.70468001      -0.71943040      -0.74102941      -0.40503477
Cl       7.11779995       8.04829996       9.28400995       0.68552184      -1.30148499       0.50443035
Cl       0.25009098       1.08341001       4.58678005      -0.42774794      -0.83516026       0.24166411
Cl      11.19150004      10.16930000       8.64527002      -0.24208767       2.00213120       0.95373671
Cl       6.92112002      11.36593308      11.08190003       1.19948023      -0.70179085      -0.59034019
Cl       0.48620895       5.18110002       5.19913998      -1.04626718       0.00986990      -0.52974029
Cl       3.59575001       5.25123998       4.54820997       1.07569349       0.53722039      -0.69089389
Cl       2.75383999       8.43146005       9.97036998      -0.32947275      -0.01543525      -2.66273160
Cl      11.24610005       7.70461002       7.77412999      -0.50881031      -2.91961771      -0.60430191
Cl       2.55994004       4.94013003       8.08007001      -0.11079032       2.26999070      -0.17467489
Cl       8.69349004       2.36224999       1.78115005      -0.35158710      -0.29278653       0.12472141
Cl       2.22850002       9.07880003       5.90581002       1.10092769       0.74683200      -3.99572623
Cl       2.73611003       2.23058996       2.96753005       0.40518843       0.58678357      -0.61148538
Cl       8.88360002       9.52518000       2.55718001      -0.35911394       0.44343108       0.11938360
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.05479372 stress="-0.0284570237376416 -0.003911510122317721 3.4354158764666456e-05 -0.003911510122317721 -0.01015940016143319 0.0062665533809791564 3.4354158764666456e-05 0.0062665533809791564 -0.024336317184887487" free_energy=-220.05479372 pbc="T T T" config_type=melt 
Li       1.53139005      11.07849996       5.57371997       0.29276370       0.67014691       2.05362970
Li       4.99839998      11.37819997      10.98290001       0.24520133      -0.35322743      -0.08650179
Li       3.83285001       3.54235994       7.28879003      -0.69340313       0.04448810       0.08868955
Li       8.88801996       8.91693998       0.49038103      -0.19471046       0.62608853      -2.48425213
Li       8.51823995       6.39622005       5.09380996       0.33306122      -0.60861799       0.14337972
Li       8.87232995       1.56296004       5.27457002       0.03541363       0.49354285      -0.04665695
Li       2.48606995       3.16856996      10.63870002       2.00003111       0.43770582       0.62075930
Li       8.74885999       0.79073198       2.35986003       0.85186688       0.05673160       0.15330820
Li       3.59425003       7.71996000       6.05590003       0.33000652       0.83349838       0.21708946
Li      11.35510002       3.57425999       4.94919002      -0.29736730      -0.48007630      -0.60216502
Li       2.23844998       0.76316704       2.21464005       0.02871748       0.18456423      -0.53613024
Li       0.97351904       5.44395005       7.05579000      -0.74649401      -0.01380295      -0.31350556
Li       2.35296003       5.08284999       1.71611996       0.37588662      -0.24412956       0.49905373
Li       6.36541002       9.41192999       4.23965002      -2.36178708       0.15271683      -4.77106727
Li      10.55439996       3.03868998       0.97672399       1.65506664      -0.38961750       0.20428556
Li       6.91365001       3.14051996       7.33826001       0.60527813      -0.16842272       0.15055647
Li       6.41505001       8.46177998       9.06131001       0.80096733      -0.33649198       1.20856859
Li       1.07198998       8.54948000       0.49832004       1.22527937      -0.04532953      -0.63118961
Li       6.19089995       7.25865996       1.32767002       0.29613675       0.18783015       0.22199004
Li       3.33888995       6.22344005       9.85677994       0.28160358       0.43065540      -0.32617544
Li       9.17543004       8.59418003       7.76613996      -0.20807207       1.85690807      -0.24319533
Li       9.59442998       5.23039998       9.66464996      -0.25269438      -1.26035848       0.94956128
Li       4.92184003      10.95330004       7.28700997       0.07458438       0.21430807      -0.04980326
Li      10.56370001       8.93139002       3.49286005      -0.22824782      -0.01830842      -0.40130329
Li       7.62979000       4.47789002       2.39025001      -0.96270395       0.50274426       1.90134890
Li       5.38967999       1.10750001       4.20998000      -1.65634725       0.55271608       0.63962387
Li       2.00411001       0.15895694      10.12209996      -0.46248191       2.32118084      -3.57772945
Li       6.47677003       4.45474995      11.03139999       0.30794324      -0.09244461      -0.20650577
Li       8.18506997       0.62946200       9.72579997      -0.04458565       0.46762769       0.15725774
Li       5.15288998       5.80767005       4.44633998       0.16999819       0.07246013       0.84277865
Li      11.32469996       1.85626998       8.19210996       1.31123210      -1.03574186       2.01334538
Li       3.06884998       9.07014002       2.88624005       0.28008349       0.13199945       0.11619430
Cl      10.38990004       2.68335003       6.79588996      -3.25544610       0.33763610      -1.72536106
Cl      10.59809996       1.39401003       3.81106994      -1.34508385      -0.23320071      -0.44872170
Cl       1.40932998      10.76370000       3.69495994      -4.55211745      -1.94509831      -4.01790027
Cl       7.04897999       0.31761295       3.47370003       0.88093266      -0.69881212      -0.52348791
Cl       4.99351001       8.67212005       7.65747004      -1.13895162       0.06033538      -0.31474492
Cl       3.60723000      10.91580004       4.67029997       5.36621134       0.07974611       0.65285594
Cl       1.20585001       2.82104005       2.13099999       0.22459437       1.00778083      -0.41018104
Cl       1.88078004       6.49028997      11.44889996      -1.03467430      -0.64185469      -0.05068851
Cl       7.11143005       6.61738997      10.73759996      -0.09647534      -0.68779250       0.02571008
Cl       8.80802004       4.07655000       0.77873897      -0.26944082       0.17703370      -0.27808541
Cl       0.63397595       3.03201995      10.07479994      -2.12576907      -0.35636786      -0.63911409
Cl       4.97214002       4.74596995       2.76275003      -0.27160444      -1.93358737      -2.30946674
Cl      10.82920002       9.28003001       1.30915005       1.17846046       1.18266095      -0.32755283
Cl       6.17466997       0.79800205       9.16559001      -1.29827852       0.10320818      -0.74899294
Cl       3.70939003       1.67811002       0.13308103       0.72239067       0.37467234       0.44102528
Cl       3.43584004       7.07140997       4.04480002      -1.08467173       0.50992522       0.18769664
Cl       2.62788997      11.32850002       7.43784998      -0.78529770       0.38350235       1.81181688
Cl       6.88222997       9.64886995      10.90600003      -0.06874459       0.86823071       0.52203632
Cl      10.59339995       5.55334004       4.42842005       0.22522185       1.09664755       0.05689596
Cl       9.20841999       6.66289995       8.28684996       0.22001130      -0.30785910      -1.10208914
Cl       8.46955998       8.27436995       2.22872999      -0.81172160      -0.10058183       1.96493263
Cl       6.88982999       6.84787004       3.79052997      -0.93858660      -0.46136752       0.82032721
Cl       2.32479997      10.65049998       0.13752803      -0.01335565      -3.34852152       3.32334549
Cl       2.73194998       6.49061005       7.53390998      -0.13329140      -0.39422650       0.95029063
Cl       7.76700001       3.80401998       4.83291000       0.03590501      -0.26861502       0.18275118
Cl       4.19661001       8.12957002       1.09529996       0.18195190       0.58025960       0.18600282
Cl       4.52248997       4.34578002       9.92023003      -0.32388635      -0.19071507      -0.73507229
Cl       5.20921995       2.26244002       6.12664002      -0.17074136       0.12818629       0.41154788
Cl       8.52432003       3.01803995       9.39614001      -0.39385588       0.29621276      -0.35079158
Cl       1.50211005       3.49243002       6.39818996       2.63661229      -0.08708752       0.17099682
Cl       9.48464999      10.61350004       9.06597998       1.18205544      -0.71841418      -0.66590625
Cl       7.22276999       9.29682002       5.75712002       3.86542037      -0.00328030       5.03468556
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.17811372 stress="-0.018292016553934226 -0.0012616745143807307 0.004690054474922969 -0.0012616745143807307 -0.020433374669799702 0.002772639278547136 0.004690054474922969 0.002772639278547136 -0.013040291687421933" free_energy=-223.17811372 pbc="T T T" config_type=melt 
Li       1.38593998       4.49170998       4.41463998       1.05700735       1.11036599      -2.00764341
Li       9.94992000      11.26999998       4.13304001      -0.01804292      -1.20871454       0.71562508
Li       3.80365003       2.90761004       2.51067000      -1.10570205       1.59106453      -1.29087607
Li       8.71377001       3.18124005       1.51394004       0.15216181       0.35138968       1.01930115
Li       4.56028002       2.11635001       6.30413001       0.48237968      -0.54345533      -0.48053150
Li       6.88622998       1.10362004       0.48484596      -0.11843942      -0.46605973      -0.61886965
Li      10.16719998       3.94009996       9.93567999      -2.45646937      -1.00730382       0.02648017
Li       1.47160005       6.98647995      10.69770002      -0.14791941       0.03721188      -0.46663677
Li       4.11122004       6.34132999       6.73397001      -0.19382362       0.49308759      -0.50805423
Li      10.46310004       7.12548996       3.48131999      -0.18906591       0.07155508      -0.21452277
Li       1.46586997       9.44893004       4.72978995       0.58684008      -0.76734944      -0.65671045
Li       3.56916996      10.23749997       7.43269999      -0.63829682       0.04449273       1.08084857
Li       9.61192998       3.80004004       5.61896995      -0.53624629      -0.08786107      -0.77095688
Li       4.10538002       1.77365001       9.34871997       1.71098838       0.04716931       0.45613554
Li       6.35670004       9.69294999       5.49995994      -2.39258937      -2.57520033       2.16675179
Li       5.83399994       9.18653995      10.72269995       0.32934883      -2.30960715       1.06870078
Li       8.07278996      10.86069996       8.14104003      -0.46278656       0.54423293       0.12506218
Li       0.06752060       2.12434004       2.44665002      -0.24468521       0.90862557      -0.06689754
Li       7.32383003       3.40868002       7.97456997      -0.70674753      -0.93763617      -0.30668668
Li       1.79550001       3.70232001       8.05505002      -0.21423922       0.16373027      -0.35037637
Li       2.19248006      10.68869999       0.74850801       0.16624881      -1.38878778      -0.11581457
Li      10.21540005       8.21579997      10.64659994      -1.89723034       0.48969197       1.23794199
Li       3.89765002       7.21300002       3.00884995       0.27716289       0.19094091       0.22774088
Li       6.90731004       8.61062004       2.27430005      -0.15828458       0.54542155      -0.06723673
Li       0.77701199       8.14751001       7.35435001      -1.23261709       0.09512927      -0.71284431
Li       0.63131394       0.45914098       7.79968994      -2.30882632       0.46607894       0.60371523
Li       9.98773000      11.19220005       0.39610097      -0.00238110      -1.33843624       0.01879996
Li       6.06077005       5.06622002       0.04480344       0.72253615      -1.15501909      -1.24405730
Li       7.01846001       1.77611001       4.01464999      -1.83394859       0.32471458       0.94952893
Li       8.42993003       6.97587996       8.11599998       0.85699923      -0.25885167      -0.40569152
Li       6.45559997       5.31437996       3.40956001       0.37717351       1.82666619       0.84719972
Li       4.02471999      11.05270005       3.90683004      -0.62048365      -0.70770756      -1.94824787
Cl       1.70753000       0.81232404       1.93681996      -0.14798254       0.42257230       0.45188544
Cl       8.26601994       7.07870997       2.84061003       1.21309019      -0.67659693      -0.19318749
Cl       5.37401004       6.25784997       1.40716002      -1.28265177       1.36955679       0.74654965
Cl       6.58010997       3.55856000       2.44490997       0.35106241      -1.54877685      -1.45859882
Cl       4.62242995       1.44027000       3.51323998       1.15264953      -0.06673873       1.37277673
Cl       7.25358999       3.60029996       5.66962005       0.61756732       0.53407475      -0.11625822
Cl       3.97472002       4.07957003       6.80871998      -0.66620879       0.26610101       0.58370439
Cl       6.15338000       3.18038000      10.35949998      -0.71417052      -1.19997435       0.47200112
Cl       5.90303004      10.99077414      10.21370001      -1.12467299       3.85130043      -1.86535088
Cl       7.60587998       8.78397004       8.04710997      -1.23908798       0.80798230      -0.36971515
Cl       6.24517002       1.18012004       7.40886002      -0.41119677      -0.28041698       0.14332675
Cl      11.07599994       9.47783997       3.60985004      -1.19781524      -0.22046345      -0.13947385
Cl       7.60939997      10.59860003       4.57853998       2.27263041       1.19140420      -1.69707822
Cl       2.33331002       8.72793998       2.73101003       0.34900554       0.05595367      -0.73341499
Cl       7.59994997       5.28521999       8.90699999       0.40564165       0.03206303       0.58601916
Cl      10.52620001       4.49517002       3.16746996      -0.88698951      -0.05240751      -0.24447428
Cl       9.96398002       0.42463499       8.18410995      -0.06891865       0.61763670       0.17822787
Cl       2.11957996       6.84107997       5.47619999      -0.40222281      -0.27099115      -0.58942656
Cl       5.79846996       7.29636998       4.58461995      -0.85222453      -0.36533917       0.73548478
Cl      10.50130005       7.28334003       8.96005003       0.75293809      -0.77245388      -1.80660283
Cl       2.30918998       1.06987998       8.55264001       1.63704233       1.01623200       0.85400386
Cl       9.57392004       1.73814995       0.07670108      -0.19365804       1.43452536      -0.32941746
Cl       2.54363004       7.89752003       8.26783004       1.87399606       0.09514970       1.95164359
Cl       1.84596004       4.16075995       1.99408003       1.12150693      -0.08446091       0.36091164
Cl       0.47880405       4.60187002       9.92669004       2.91215115       0.61764355      -0.02158191
Cl       0.09356194       9.56039999      11.22199996       1.83362686       0.92693272       0.49327736
Cl       4.14087000       9.94160003       5.48947001       0.19331872      -0.91038450       1.05297327
Cl       8.07175003       9.87381999       0.24231006       1.39677904      -0.52205274       0.52370076
Cl       0.28715396       3.98198000       5.92226000      -0.58218082      -1.17050831       2.99950338
Cl       5.10206000       9.66568003       1.38021002      -0.62830717       0.16278015       0.61656661
Cl       1.03166999      10.67599997       6.38391005       0.34220678      -1.39202443      -1.00120929
Cl       8.84887002       1.39119004       3.47974996       2.73305378       1.58210216      -1.86794379
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.83968892 stress="-0.02678041583740978 -0.003371798283576602 -0.007463721542777865 -0.003371798283576602 -0.008124911037273827 -0.006086392001607718 -0.007463721542777865 -0.006086392001607718 -0.021154014651066866" free_energy=-220.83968892 pbc="T T T" config_type=melt 
Li      10.02159995       6.31662000       8.11748002       0.59089629       0.06914377       0.80733115
Li       7.99540997       7.39483004      11.44790004       0.02188628       0.05026072      -0.30582121
Li       1.52649996       8.22564997       5.88422003      -0.08146086       0.46678798       0.35958788
Li       6.03350994      10.91319994       9.09015998       0.42447821      -0.14064077      -0.16336520
Li       3.76909004       1.30468001       7.97659995      -0.07051435      -0.00522537      -0.59716982
Li       4.21569001       4.50503996       6.29434995       0.43944692      -0.04614986       0.19466287
Li       6.40213000       9.99691999       2.30905998      -0.98865928      -0.29058929       0.00886446
Li       6.87800000       4.63247002       9.38650004       0.63084870      -0.12954262      -0.29648797
Li       2.01967999       5.66651002       8.75700995       1.46746963       1.49030126       0.71992313
Li       8.17403996       9.37164004       5.27120995       0.22567556       0.15320793      -0.03283678
Li       4.47530999      10.06639995       5.29137998      -0.32945774       0.08903214       0.65753332
Li       1.37758000       4.47867005       2.01563001       0.28230591      -0.15982077       0.40760896
Li       3.40020000       6.36142000       4.06594003       0.02902253       0.97896098      -0.01642893
Li      11.44220344       2.84234997      10.03340002      -0.11607564       0.02757218      -0.19736453
Li       5.42103995       7.06190001       7.89626997       3.75591678       0.58064916       0.55906168
Li       3.63158999       6.85220995      11.25390000      -0.02835557      -0.14651588      -0.84941284
Li      10.95579995       0.45726600       3.62679001       0.16044654       0.36981222       0.18655316
Li       0.68307299       0.01151254       6.90616005      -0.13348643       0.19232485      -0.06635538
Li       5.42251002       4.96058001       2.24522996       0.11251172      -0.49126363       0.37460650
Li       5.78323004       1.84091002       3.34231995      -0.62461299      -0.39504850       0.53628065
Li       0.67157306       4.40985995       6.04307001       0.15770544      -1.47671200       1.59599020
Li       6.64730005       1.45974002       6.65471996      -0.18963352       0.01427035      -0.86943104
Li       9.93528997       8.73684004       3.01688996      -0.54451675      -0.80518022      -1.31751265
Li       9.08468006       0.22748101       9.26148998      -1.20110101      -0.08394251       0.13647868
Li       0.97204301       9.78572995       9.84599997       0.15913688      -0.11305658      -0.07474446
Li       4.17036002       2.11011998       0.08306043      -0.42499726      -0.08612081      -0.60421846
Li       2.75099995       1.31211999       4.39945004      -1.87386579       0.25440219      -1.07904142
Li      10.09759999       4.86219000       2.12756002      -0.61395208       1.02338779       0.08737467
Li       7.40501995       5.86967002       4.45719000       5.46355980      -0.12343175      -3.01484346
Li       8.97932000       1.88501001       1.05089995      -0.45873869       0.06379116       2.11010328
Li      11.33709995       7.16157000       0.03871992       0.61618215       0.58981888      -1.58279230
Li       2.21977995      10.54700000       2.03142996       1.81543076       1.05262169       1.85553360
Cl      10.08800003       6.90799996       1.54050003      -0.82619985       1.06106658       2.81687596
Cl       0.65001402       7.75302000       8.62754005      -0.12431237       0.23548363      -0.15757197
Cl       7.81387000       9.71805000       9.59944996       0.08330766      -0.35213819       1.35011889
Cl       4.37265997      10.85629997       3.31898005       1.89248367       0.93341030      -3.14377970
Cl       3.31922000       3.15741005       8.97342002       0.03975892       0.20996969       0.76735226
Cl       0.89671501       1.91602995       5.54320997      -0.63587119      -0.19625630       0.43671403
Cl       5.90973997       5.88532002       5.28553996      -5.50688222       0.50528296       3.02082906
Cl      10.42609999       2.96199005       2.52030997       0.42798188      -1.90429815      -0.18250679
Cl       7.30168998       3.34669999       3.04752000       3.28760536       2.48012738       4.02088086
Cl       8.29093996      10.34709998       3.09838999       1.31116119       3.84330911      -0.27642799
Cl       0.62202501       4.38655995       8.43969003      -2.78502066      -1.45447671      -1.39035902
Cl       2.53591996      10.34960000       6.67010995      -0.46983478       0.07523805       0.77829104
Cl       3.68073002       6.63655997       7.46311003      -3.73004476      -0.88737705      -0.99007147
Cl       2.90812994       8.87744003       4.25508999      -1.19551368      -3.08588450      -0.52365612
Cl       3.91109005      11.06370003       9.32348995       0.10109633      -0.11911369       1.11315568
Cl       5.88459995       6.43733004      10.04699998      -0.60225758       0.53182088       1.04696031
Cl       3.81503005       6.50602997       1.80479995       0.48029387       0.15519820       0.56252483
Cl       0.99686501       9.78307999       0.78215899      -1.67918881      -1.25844743      -1.87485615
Cl       1.85154005       1.59419998       2.41307997       0.14996825      -0.38258421      -0.99173452
Cl       3.81050005       4.26685005       4.05843001      -0.85324030      -1.41966477      -0.27545609
Cl       1.39809005       5.69320999      11.31409997       0.84990442      -0.78502644       0.19615439
Cl       6.36766000       2.83946005       8.16360001       0.18589345       0.16687480       0.34268957
Cl       8.02679997       6.39355999       7.43797998      -0.16870403       0.19240145      -0.43056611
Cl       7.34214995       7.95552998       3.00644004      -1.07265267      -2.85085416       0.01496129
Cl       9.25726998       2.18173000      10.60709999       0.21955330       0.31854452      -1.85692102
Cl      10.67099994       9.56794004       4.69152998       1.24982887       0.51994843       1.78885644
Cl       0.42678500       5.25035998       4.30252001      -0.03437405       1.49992377      -1.68630266
Cl      11.06569997      11.33650805       8.96255005       1.40269074       0.11747242      -0.41514562
Cl       9.49691998       6.01133000      10.45690004      -0.41103986      -0.66816077      -1.27925880
Cl       4.36595004       1.18492999       5.41768000       3.10139766       1.14277351       2.89736152
Cl       5.86730998       2.62220002       1.32605998      -3.23229985      -1.45003151      -4.45122153
Cl       7.53698000      10.99389999       6.92377996      -0.12898104      -0.14763653      -0.75755833
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.75881724 stress="-0.014458625634190755 0.000509422625073921 -0.0032054268195697796 0.000509422625073921 -0.009792716256317502 7.501058774655664e-05 -0.0032054268195697796 7.501058774655664e-05 -0.014771088825514837" free_energy=-223.75881724 pbc="T T T" config_type=melt 
Li       8.68987994      10.90710003       5.23786999       0.07610514      -0.37063261       0.53889048
Li       2.33438996      10.51279999       5.03558999      -0.01658039      -0.59765925      -0.16352331
Li       5.56725997       8.88676004       7.72595995       0.45062524       0.26097884       0.16776373
Li       5.30635003       0.39893104       2.94324996      -0.11822160      -0.04742793      -0.13596459
Li       0.07381793       1.67116003       6.43052003      -0.55205072      -0.11208414      -0.09661991
Li       5.09883005       5.41461996       9.70495000      -0.14669709      -0.42600917       0.48393931
Li       8.50256002      10.89770001       1.29756998      -0.15511594      -0.05106469       0.90655880
Li       1.04554005       2.96118996       9.72838998       0.55183137       0.22884466      -0.00901924
Li       2.02196998       6.87703001      11.41092097      -0.16530833      -0.50211535      -0.05680058
Li       7.64259996       5.71844997       3.09336004       0.42144678       0.18579219       0.19450243
Li       0.04071986       8.64738999       6.95089001      -0.29093999       1.19982576       0.95440100
Li       4.42071995       4.51623999       2.10224998      -0.57803135       0.12234487      -0.66649492
Li       2.17636999       6.48639005       3.99573003      -0.18352647       0.44449495      -0.03544905
Li       7.21797999      10.50949999      10.05930001      -0.77475192      -0.90087950      -0.94304683
Li       8.13172003       7.39296996       7.56343005       0.00897233      -1.63505446       0.07139250
Li       8.02568002       7.63307004       0.02428341       0.27695170      -0.07372674       0.56783999
Li       0.16184503       1.12271002       2.75581999       0.10571702       0.10239305       0.53265890
Li       5.84681002       8.25174003       4.77725001       3.24462522      -1.04221591       0.81389549
Li       8.99566004       2.91817999       4.60432005      -0.82107831       0.18601810       0.38431698
Li       7.32102002       3.28340994       0.47301998      -0.28776950      -0.30267227      -0.71057765
Li       7.68625995       3.82586998       8.29712998       0.12720245      -0.73942629      -1.13294024
Li       2.34482005       3.95345997       5.91363003      -0.20113822      -0.55622380      -0.12562202
Li       2.15601998       9.77967005       9.90578000       3.05310226       2.32973802       0.74514504
Li       4.77439001       1.38351001       9.15355000      -0.66284237       1.12947592       0.68037925
Li      10.69580005       6.83064003       9.20787005      -1.01454188       0.70481581      -0.03392639
Li      10.61369998      11.23850004      10.43849999      -0.00690103       0.08674366       0.44918284
Li       2.69346004       1.00819997       0.44559100      -0.89411980       0.03257349      -1.00457012
Li      10.60510005       5.52945994       5.22063998      -0.64820423       0.33466940       0.20320058
Li       5.55265998       5.00358997       5.85386995       0.66563820       0.17497794       2.42759746
Li      11.02709997       4.27224996       1.19868002       0.07533355       0.40150052      -0.11673460
Li      10.43110002       8.57901004       3.54449998      -0.84007415       0.18870012      -0.32178006
Li       5.10644004       8.65201996       1.09430004      -0.42717445      -0.95791701       0.64871816
Cl       2.01937000       5.61091996       1.94124999      -0.12890876       0.14820214       0.51630752
Cl       0.22424900       7.74624003       5.17863004       1.47384390      -3.02164368      -0.80762854
Cl       0.63972999       9.02340004       9.23454995      -3.70658070      -1.98677314      -1.77473573
Cl       1.75726996       1.07963001       5.15181005       1.43534103       0.81012229      -0.57972812
Cl       8.32371003       0.51160898      10.92329997       1.32254416       2.08410336      -0.52859570
Cl       8.37384001       1.94203999       6.61716997       0.27724785      -0.38168783      -0.11151418
Cl       6.02061997       3.16775003       9.51536004       0.12821767       0.32599080       0.56832183
Cl       0.27843400       5.35586999      10.07060000       1.36220622      -0.48242294       1.58341573
Cl       0.57046900       1.50314998       0.49089898      -0.31483742       1.42506518      -0.15988637
Cl       7.81422997       9.31957994       7.03297001      -2.01148661       3.45457115       0.77204877
Cl      11.08490001       3.40991999       4.76512997       0.25342395       0.08628313      -1.67153561
Cl       2.10099006       0.61542503       9.27378003      -0.29864977       0.11639460       0.28111379
Cl       8.47289998       8.56878000       9.58158002       1.02276652      -0.42446464       1.25126522
Cl       5.53384996       4.97455004       3.94632999       1.08654843      -0.51995997      -3.68885984
Cl       4.27539002       9.06749006       4.14390000      -3.00951046       1.32032052      -0.92625650
Cl       5.70767997       6.41923998       7.79096001      -0.06439928       0.64071000       0.22722243
Cl       7.04053001      11.02320005       3.80068995       0.32440718       0.30818142      -0.20173598
Cl       6.19104004       6.55304005       0.69258800      -0.69757110      -1.09568455      -0.01666310
Cl      10.60770004      10.89299999       1.85842996      -0.50921979      -1.46125523      -0.22031213
Cl      11.15419997      10.44630005       4.82087996      -0.57715690       0.97688575       0.84468206
Cl       3.35808998       8.88436996      11.39499996      -0.52527275      -0.45394154       0.11798653
Cl       0.86376105       3.45383999       7.35633000       0.24745450       0.33953361       1.77296025
Cl       3.46855004       5.75245005       5.60086005      -1.53664079       0.48752169       0.97038032
Cl       8.22439004       5.38405997       5.77962005      -0.00421870      -1.44697826      -0.17590798
Cl       3.02892001       3.89387999      10.97859999       0.66150263       0.21335465      -0.36315787
Cl       9.51933001       6.88701001       1.99432995       0.28119826      -0.29004576      -0.50682597
Cl       4.56302996       1.36727005       1.08283003       1.43302343       0.21465167       0.80129041
Cl       8.99957004       5.25735995       8.91042002       0.09076544       0.89677200       0.42995058
Cl       8.53501999       8.06087995       4.94858000       0.35020260      -0.32471858      -3.07603093
Cl       4.93341998      11.04819998       8.35568001       0.66770682      -2.05990684      -0.57960228
Cl       8.47557001       3.39306005       2.29520998       0.31159290       0.07454982      -0.01954144
Cl       6.74644005       9.73043005       0.69586002       0.38197601       0.22749100       0.05425941
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.32810373 stress="-0.0069272123035088555 0.00198913671478285 0.001272060110939799 0.00198913671478285 -0.013253138994998873 0.00264451682479575 0.001272060110939799 0.00264451682479575 -0.023326884673512772" free_energy=-224.32810373 pbc="T T T" config_type=melt 
Li       6.75482995       5.96869996       9.43302003       0.41482368      -0.67088967       0.10899858
Li       8.58936996       3.56885997      10.73010003       0.13506234       0.02336023      -0.48286211
Li       3.95435006      10.97689995       5.35293995      -0.47273085      -0.75310560      -3.53942461
Li       8.46902001       9.26895999       2.78271003      -0.27124439      -0.10346085       0.31371213
Li       5.26375003       0.59757503       8.88150997       0.62654867       0.37101658      -0.53507275
Li       6.95524999       3.30037994       6.35737001       0.12609280       0.09900069       0.16291705
Li       9.55120999       0.86793600       1.28999003       0.27368047       0.12622019      -0.53659500
Li       3.34489001       8.42136002       8.23540997       0.73636178       0.07521562       0.00127625
Li       1.53048999      10.67800003       7.15641004       0.05733291      -0.41388931       0.60029848
Li       2.13847000       5.28962995       9.45047004       0.14016417      -0.32138128       0.44914152
Li       7.42954995       6.10514003       0.88516200       0.01878485      -0.41036060       0.26935820
Li       4.55439002       1.93544000       2.78817998       0.16049370      -0.53787695       0.27782810
Li       9.95862001       1.98833000       7.38769994      -0.00750029      -0.24643054      -0.07606937
Li       7.68372004      11.40582877       5.03784994       0.34312638      -0.98131939      -0.28471824
Li       7.38341998       9.13099999       7.68499005      -0.30324570       0.42522136      -0.24490895
Li       6.92557000       6.31036004       5.94755994       0.44045975       0.54452801      -0.42739632
Li       4.25593996       3.57997000       0.00441994       0.30035987       0.36264045      -0.33808926
Li      10.01199999       5.50046999       8.19460000      -0.75746450       0.05188685      -0.16517213
Li      10.65880000       6.26952003       0.92567997      -0.24662597       0.02039559       0.52872952
Li       3.09707997       6.87776005       5.46649995      -0.29975267      -0.02380141       0.17806708
Li      10.87260000       8.13556996       5.97399004      -0.90238434       1.51756403      -0.38996338
Li       0.06040965       0.64309899       3.69054000       0.00011576      -0.03703737       0.24147098
Li       3.12573001       7.25586003       0.89730806       0.13945415      -0.70674915       0.01961711
Li      10.33079995       5.23210999       4.59191994       0.88718147       1.60211629      -2.22945966
Li       1.32069997       3.29803997       3.39387997       0.47950638       1.85709329      -0.23717636
Li       8.41931995       2.80321000       3.43467997       0.92600857       0.45242904      -0.52517629
Li      10.79479995      10.19599997      10.71910005       0.22148977       0.41406281       0.21103973
Li       5.52539001      10.03289995       0.85854205       0.10982764      -0.07880864      -0.58989074
Li      11.39482604       2.61530002       0.04301994      -0.19956518       0.37175888      -0.06014148
Li       3.68922001       3.34310995       6.65439002       0.03419337      -0.41142094      -1.23794926
Li       2.55790994      11.05409996      11.35280005      -0.88540838      -0.10474773       0.15355089
Li       1.82368999       9.08994996       3.10308003      -1.66971096      -0.14509306       3.03557746
Cl       0.40178301       6.83281996       2.82673998       0.71855878       0.20209691      -0.53717926
Cl       0.31824704      10.23510004       4.65807996      -0.35931757      -1.04489472      -0.44706732
Cl       9.61923995       4.14294996       5.97761997      -0.98862094      -2.10143136       1.71558729
Cl       2.36277001       9.16889001       1.31135005       0.87686550       0.75152082      -2.85488458
Cl       7.70610003       0.23155496       7.17752002       0.26072838      -0.46314634       1.34571518
Cl       0.43062198       0.65449002       0.39051201       2.51549875      -2.30578307      -0.28051743
Cl       9.37568006      10.19510002       0.99974598       0.13137858      -1.56885928      -1.41478720
Cl       2.62999000       2.04076005       4.13040001       1.30746016      -1.62688757       1.54528616
Cl      11.22709996       2.44583996       2.53806998      -1.52423981       1.19434025      -0.49727073
Cl       5.51107995       7.45359995       8.50601994      -0.43207191       1.58311025      -0.41239322
Cl      11.30926606       4.70109004      10.96830002       1.84063172      -0.38087163      -0.77723457
Cl       4.52526994       0.19666204      10.80180004       0.37065030       0.02068364       0.44132632
Cl       3.33504002       3.49322003       8.63986003      -0.49580099      -0.07034037       1.28804666
Cl       4.19445003       0.01371988       7.10515003       0.61017388       1.31535104       3.13440058
Cl       2.56650999       9.13025000       6.09547002       1.51135894      -2.13245818      -0.84239187
Cl       0.36266895       6.36437996       5.84519000       1.54160153      -0.97925418       1.10757650
Cl       9.53423999       1.47186006      10.53769994      -1.01134247       0.77983030      -0.78669512
Cl       0.82220498       1.06464997       6.80003005      -1.27815156       1.78105436       0.44562000
Cl       7.73340004       3.66390997       8.38632999       0.00680618       0.19923966       0.50576644
Cl       8.94231995       6.11800994      10.55689998      -1.12269707       0.89239967      -0.37226444
Cl       6.98641001       1.91285996       4.65397002      -1.95069020       1.12465548      -0.02783687
Cl       3.91260999       6.00668995      10.77010005      -0.52174019      -0.14197426       0.05834915
Cl       9.19036994       0.36137497       3.32615004      -0.40986788       0.23493672       1.26800898
Cl       5.22925997       5.16241004       6.38195997      -0.99211422      -0.66579565      -0.80453917
Cl       6.68578002       8.20141998       1.24578996      -0.14215453      -0.37936573       0.15775832
Cl       4.03118997       3.93375001       2.16840002      -0.31992495       0.76357859      -0.13957317
Cl       6.60502001       3.71934997       0.11360402      -0.20458003       0.22559717       0.34934912
Cl       1.54024999       9.17601001       9.13388005      -0.82251852       0.28039762       0.66408275
Cl       5.05859995      11.00309996       2.64331000      -0.32376317       0.70507646       1.42042365
Cl       8.10244003       8.79656000       5.11027003      -0.58384596       1.95591581      -2.81370550
Cl       9.07625003       5.25545001       2.64094997      -0.76097702      -0.30071910      -0.13777691
Cl       8.41094999       7.29492996       7.11095004       1.99727101      -2.21614069       3.04730307
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.30696833 stress="-0.013685459334097407 0.014210714302291734 -0.0009626247568323025 0.014210714302291734 -0.019061478430980237 0.0014165353810160904 -0.0009626247568323025 0.0014165353810160904 -0.005570456736251485" free_energy=-222.30696833 pbc="T T T" config_type=melt 
Li       4.65480003       9.59587999       6.14898001      -0.33639574      -0.36575153       0.47428619
Li      10.46469999       4.06195998       1.98626001       0.65971046      -0.37294504       0.20844981
Li      11.44830003       0.70418997       7.77285000       0.25906743       0.19473718       0.70891053
Li       8.42449997       0.62101501       0.68660697       0.31950392      -0.33779984      -0.05642819
Li       3.51355995       9.58796998       2.31660003      -0.36545559       0.08687883      -0.40553405
Li       5.33911002       6.22297999      10.09640002      -0.85225176       0.60403726      -0.64494874
Li      10.58550003      10.26800000       3.07164004      -0.22129388       0.23274393      -0.60713956
Li       7.47247004       4.04453003      10.43660001       1.48046346      -1.27273719      -1.15118212
Li       1.13217997       4.70629998      10.32260001       1.18592853      -1.38675894       0.08816534
Li       9.08997999       9.18451995      10.06910002      -0.38422397      -0.37486795       0.27482343
Li       3.81504002       2.69763006       0.28728695      -0.11954940      -0.05482490      -0.36554700
Li      10.19519999       9.49159000       7.10604001       0.76418896      -1.91410182       0.49800849
Li       6.29397999       4.59195995       2.40164997       0.33468608       0.14918815       0.00446314
Li       2.76526002       5.31562005       4.02471001      -0.40567589      -0.81314791       0.21125788
Li       9.77811997       5.91152003       8.65086998      -0.25098361      -0.41956883       0.86449206
Li       9.46087995       1.73558000       5.21947005       0.44214954       0.33464930      -0.07445314
Li       7.17995997       7.27812000       5.89756995      -0.74285555       0.37780279       1.48851839
Li       6.90824002      11.33250002       4.23477002      -1.05062375      -0.52451810      -0.10158020
Li       0.67564803       1.31735997       0.44676105       0.26255532       0.09777250      -0.11170048
Li       4.30825995      10.60059998      10.41180002      -0.37133856      -0.89296532       0.20995417
Li       0.30560905       3.68794002       6.67751003       0.27655433       0.32896625      -0.00037091
Li       2.66989005       0.86483502       4.56997995       0.37184671       0.35165997       0.86727646
Li       1.06557996       8.10233994       5.06393003       2.28077671      -1.42385890       0.34445508
Li       6.47288994       8.39762999       1.67741999       1.80249279      -2.35628865       1.14233939
Li       2.16111998       8.43863004       9.23730000      -0.23606864      -0.57524349       2.16171332
Li       7.80965997       1.01056001       8.20718996       0.29221298      -0.07603788       0.29390278
Li       3.93594003       6.20662000       6.94293001      -0.07679990       0.95507867       0.41989009
Li       6.48186005       3.58939995       5.12851004      -1.76002767       3.05379633       1.33851603
Li       1.90471998       6.97290005       1.05119997      -1.03973517      -0.38546060       1.30716063
Li       9.70790996       6.68380002       1.23653003      -1.48066150       0.33840230      -0.54206152
Li      10.45230000       6.01925996       4.63415000      -0.41476332       1.68427457      -0.30872389
Li       3.33277995       2.79601995       7.82982999      -0.17544350       0.13380947       0.21358337
Cl       6.26327005       5.04675998       0.12052696      -2.28846340       1.97841908       1.48767903
Cl       5.16294003       1.03487999      10.67690003       0.58352307       0.84665388       0.08135589
Cl      10.44340005       1.15710997       2.00218997      -0.42778845      -0.52208353       0.22938599
Cl       4.23293997       3.92307997       4.62271999       1.48179255      -1.16447959      -1.44529953
Cl       5.90564000       5.56191005       6.78523001       1.01059843      -0.30673741       0.43228104
Cl      11.31610003       6.34660998       2.30398004       0.86758030      -0.04874628       1.59095816
Cl       8.39129999       3.84023003       1.26203003       1.11850409      -0.83331656       0.69276654
Cl       9.65575001      11.24360004       6.59514996      -1.86342781       3.73528382      -0.26851361
Cl       2.42656999       0.08674803       2.65610001      -0.56480738      -0.10856212      -0.92901148
Cl       8.53957005       3.20741999       8.34321994      -0.08667930       0.20914751       0.18094107
Cl       2.29600996       8.59537002       7.34006999       0.57268705       0.07445412      -3.09434167
Cl      10.42350001       7.41185002       7.33228001      -0.25340433      -0.59149531      -0.60105364
Cl      11.17270000       9.47546996       5.07510003      -0.67792602       0.83471285      -1.50624644
Cl       4.89271995       9.41029003       3.88080005       1.61202464      -0.89477603       1.83321488
Cl       1.52357004       1.82935002       6.55640000       0.29057997      -0.73030585      -1.41886565
Cl       5.42757998       9.81631998       1.15050998      -2.27641963       2.58446509      -2.83492852
Cl       0.78932497       2.40915002       9.31354996      -0.38899885       0.31916254       0.99876732
Cl       1.40531003       3.67096005       1.40308997       0.44396403      -0.35889129      -0.49919060
Cl       4.05868005       3.95337995       9.80075000      -0.70838664       0.21297253      -0.83735994
Cl      11.24389994       6.18784999      10.40160002       3.14065757      -1.24725490      -0.75319878
Cl       5.92627995       8.60756996       8.41187998       0.03040201       0.15828108      -0.33224266
Cl       2.74696005       7.26572000       3.41474004      -0.42427615       0.98633242      -0.54055901
Cl       4.70531004       0.25388405       5.69786999       0.12494701       1.15079513       0.80434520
Cl       7.79172995       6.38648000       4.22611001       0.68583217      -0.63152205      -1.86074826
Cl       3.08285004       7.20645002      10.93950003       1.49128375      -0.26882305      -1.07250001
Cl       8.42365001       9.51991996       1.76575995       1.14465648       0.54614504       0.63869001
Cl      10.27389998       4.05824005       4.81748997       0.18361343      -2.07956362       0.50118155
Cl       2.27488003       5.14977995       6.34663004      -2.06421056      -0.18489893       0.42105894
Cl       7.35492001       2.00225005       4.67890001       1.56838475      -2.53518037      -1.00737423
Cl       9.34111995      11.24000002       9.83824003      -0.19090809       0.95583777       0.12829526
Cl       9.08227003       7.20519995      10.78089997      -4.48613376       1.41491888      -0.22928077
Cl       1.83480002      10.18289996      10.40240000      -0.09719078       1.12213452       0.45929715
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.52679011 stress="-0.02074446565285944 0.0020719676076301915 0.001431946553342192 0.0020719676076301915 -0.02406492553907575 -0.00032559969558132755 0.001431946553342192 -0.00032559969558132755 -0.00920343091302709" free_energy=-222.52679011 pbc="T T T" config_type=melt 
Li       5.40364004       0.10931994       2.37540995       0.28152641      -2.25447839      -0.50161285
Li       9.59279002       0.08667695       6.56167999      -1.26462996      -0.55759332      -0.20557849
Li       8.03316001       3.26350004       7.28810000      -0.64734369       0.27526032       0.06038318
Li       4.90202001       1.80555005       5.15437999      -0.54820437      -1.40829144      -1.07379152
Li       3.58835005       9.27461004      10.69630000      -1.83505748       0.56519259       1.02069922
Li       8.06015999       4.90949999      10.83650001       0.12874845       0.47292115      -3.68506924
Li       2.71532001       6.68392005       6.99651005      -0.31578928       0.95726493       0.45431214
Li       0.44735902      10.29960003       1.71850006      -0.20859836       0.67689026      -0.58451979
Li       0.75642799       4.82142004       3.63972997       0.30760015       0.49327662      -0.86499930
Li       4.60843997       3.85193999       8.08962995      -0.09916573       0.42509335       0.12706335
Li       3.76911996       8.95198996       4.41489002       0.21552670       0.24757664      -0.23417687
Li      11.38350002       8.32165999       4.92748000       0.04004824      -0.05130995      -0.05263499
Li      10.38969999       7.94017999       9.04157998       3.61927531      -1.02998498      -0.68391253
Li       4.81589999       3.28836996       0.47992904       0.19332528       0.22860388       0.02296966
Li       1.33689006       1.39948995       5.32395000       0.74939489      -1.51429317       0.69191918
Li      11.29900002       4.59742005      10.67099994       0.53449864      -0.13359441      -0.09848120
Li       6.56492003      10.39330000       6.62115003       0.18964077      -0.02822396      -0.32342981
Li       1.00317999       2.24297001       1.81531006      -1.25476883      -1.32760156      -0.29998018
Li       2.81319000       0.61923804       8.43744005       0.07541201       0.26280300       0.04985005
Li       8.26736997       9.39303996       3.01440004      -1.61891233       0.27664758       0.76822037
Li       6.65584999       0.49294398       9.60523002      -0.40734285       0.53246880       1.02297292
Li       9.09264005       1.74704004       0.46403795       0.06808373       0.18026876       0.02220907
Li       7.30424996       9.21760999      11.09570005       0.18542461      -1.33095865      -0.93221445
Li       8.37019001       6.96320001       5.98707995      -0.13572497       0.18903954       0.22598009
Li      10.66359998       6.90341998       1.49937995      -0.61496371       0.13920298      -0.43359416
Li       8.50164999       3.96052999       2.75866004       1.42640494      -0.60581076       3.05866094
Li       0.60476600       4.07641002       7.44184001       0.28527369       0.19409104      -0.35666825
Li       5.51945002       5.35890997       5.16607001       0.15885900       0.03462706       0.48357389
Li       3.03476003       6.64169000       0.85427000       0.02357968      -0.19082767       0.60379916
Li       6.44045004       6.48875995       1.84804998       0.02108545      -1.15863392      -0.94574374
Li       5.85969999       7.26006995       8.96838995       1.09858124      -2.76427592      -0.86889967
Li      11.44149999       0.69356304       9.79620005       0.42998226       0.06886914      -0.18784696
Cl       0.88938395       2.71911996       9.09024998       0.05610069       0.35108204       0.93502429
Cl       1.90516995       3.94490005       1.95562000       2.97499964       1.73641727      -0.79182951
Cl       7.79436994       0.77252705       7.86057994       0.47209297      -0.13729346      -1.12428436
Cl       1.46854000       6.27024997      10.85779995      -0.64497139       0.52391069      -0.27225462
Cl       1.98138001      10.91999998      10.22739994       0.45209644      -0.35821465      -0.44802234
Cl       5.66237004       3.29468999       6.23796999       0.37708819       0.20232013       0.18956763
Cl       2.78113002       4.73139999       6.81235003      -0.01861247      -1.76295812      -0.03741541
Cl       6.10559997      10.80810001       4.39974995       1.10570395      -0.80255243       0.18973843
Cl       8.60254999       8.26715995       9.30733002      -4.08750038       2.29851776       0.91014020
Cl       5.11468000       7.82719000       2.59086001      -1.45506942       0.61276859       0.66115238
Cl       5.35551999       1.96106003       2.87183999      -0.24241934       3.02462134      -0.37659499
Cl       2.11437002       9.33978001       2.17962000       1.84207800      -0.41817556       0.33471617
Cl       3.39308997       0.08854345       5.35143996      -1.24511211       0.38278375       0.64664100
Cl       7.83260997       4.51834999       1.13771997      -3.34864035       1.50493596       2.10057729
Cl       7.45985005       2.67162001      10.60190003       0.28971409      -1.15729845      -0.92926384
Cl      10.09409994       9.56853997       2.25847006       0.74204269      -0.16962293      -0.03169968
Cl       0.76378897       3.12343004       4.53346003      -1.15605623      -1.12655150       1.42462320
Cl       9.06649003       9.44882996       6.04303000      -0.13714710      -0.86528627      -0.46553732
Cl       4.84900000       5.73027997      11.28828012       0.43746853      -0.36573025      -0.09184234
Cl       7.16542005      10.91070004       0.69744094      -0.29076351       1.22183135       0.49314411
Cl       4.22111996       7.99780004       6.53987997       1.28579095       0.58728073      -0.83040702
Cl      11.18030001       0.58426695       0.62460104      -0.47564872       0.76322035      -0.17412815
Cl       6.72661005       5.67751000       7.85739001      -0.11818947      -0.03571693       0.28549393
Cl       9.66775002       5.67037005       9.54689002       0.96012450      -1.10429746      -0.30922168
Cl       5.14958999       8.85614995       9.57266998       0.33216604       3.14980365       0.57591561
Cl       4.83621997       1.94925996       9.20757003      -1.09315251      -0.70771413       0.22224534
Cl       8.20119001       7.23764994       2.66955002       1.01039893      -0.21944547       0.48377225
Cl       0.49042505       6.72921004       3.13092000       0.00051312       1.41718154       0.94234665
Cl      11.41019999       0.72886396       7.01720995       1.11569481      -0.05511213       0.10720851
Cl       0.92013195       7.78042995       7.01968004      -1.50482076       0.43636699      -0.07432099
Cl      10.50350005       3.76453001       1.15419999       0.25035096      -0.64154118       0.33937105
Cl       8.07941998       4.82186004       5.32597000       1.03190936      -0.14975077      -1.16431501
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.07360481 stress="-0.013350387131051564 0.0014310914603504368 -0.0064274106277109905 0.0014310914603504368 -0.02037147632556442 -0.0044355015032310225 -0.0064274106277109905 -0.0044355015032310225 -0.016390020862299178" free_energy=-223.07360481 pbc="T T T" config_type=melt 
Li       3.03093004       1.87344003      10.58429995      -1.68363839      -1.97465910      -0.71631635
Li       5.78865000       1.18110998       7.96172997       0.00757680       1.26097530      -0.87094391
Li       9.76532996       8.94186000       8.81055995       0.49114600      -0.33603632       0.22319451
Li       2.16067998       3.31700005       6.97204997       0.23602191      -0.14872644       0.57504575
Li       4.93482000       8.63320994       7.39937998       0.35832407       0.54123753       0.02117867
Li       5.13283001       9.68947001      10.59339995      -0.06599008      -0.50952256      -0.00952871
Li       8.47802005       9.71998002       6.04614003       0.11694755       1.75019979      -0.67531499
Li       9.49749995       7.64342000       1.42970005       0.20405755      -0.44382828      -0.30019210
Li      11.15459996       4.95927996       9.90617001      -0.31155728       0.12713144      -0.05176625
Li       2.11614996      10.45290004       7.98915998      -0.06933156      -0.21878787      -0.17306023
Li      10.79359999       1.01610998       7.43867999      -0.18860749      -0.33908213       0.16693287
Li       7.40240002       6.26158996      10.60169997       0.79553425      -0.31176290       0.94410707
Li       1.25949000       7.16072004      11.38204933      -1.03180462       1.55277265      -2.83383908
Li       0.56893599      11.23719999       1.50393998      -0.40959950       1.11823567       0.09938477
Li       7.84284000       5.87230004       7.12660005      -0.37994625      -0.73594497       0.71477676
Li       8.70521995      10.76550000       0.21790398      -0.14986858       1.61060236       0.15913427
Li       5.20077995       3.33245998       4.35902000       0.16519282      -1.33863754       0.60386502
Li       0.66143095       8.69956004       5.38344995       0.82508139      -0.22673071      -0.43946832
Li       2.08994995       6.92482998       8.05852003      -0.01853570       0.51789736       0.68026109
Li       6.16192994       7.45050998       4.34238005      -0.08523505       0.17918796       0.34974996
Li       8.07479999       2.51389995       5.59596996      -0.21461695       0.12761574       0.42495880
Li       5.40493000       5.27725002       1.25050006      -1.55170734       1.39187541       0.56952526
Li       3.33856001       5.82418996       5.10390999      -0.45763574       0.00871178      -0.08439480
Li       6.31218997       1.07122004       1.86946995       0.52237593       0.79879564      -0.03921357
Li      11.15199998       5.03483002       5.69229995       0.63931822       0.38423289       0.92678400
Li       1.48142001       4.06200996       2.09951999       1.08514268       2.46952455       1.58776632
Li       9.48280000       0.67137106       3.13298999      -1.68144917       4.11132931       2.87954340
Li       4.23703994      11.23549995       4.54821994      -0.20054707      -1.84152860      -0.55092444
Li       3.50703001       9.36822999       1.74701000       1.00767493      -0.32010346       0.64057600
Li       8.00140005       2.91439001      10.81009995       0.90411522      -0.74070593      -0.91096879
Li       4.47489005       5.08847999       8.62545997       0.18323170      -0.43835462       0.25503047
Li       8.81338005       3.53002999       2.27978995      -0.06231101       0.36783561      -0.21748161
Cl       5.97835002       7.58912001       0.25512403      -0.79131276       0.47472576       1.46855074
Cl       3.37590995       8.91597996       9.08377999       0.05161070       0.28843085       0.31711601
Cl       0.84754506       2.65062995       1.04961996      -1.17206828      -2.94531579      -1.52444296
Cl       4.14797005       6.66921001       7.00319005       0.01445465      -1.01818180      -1.00931087
Cl       8.34224995       1.37936005       1.13124999       0.91458795       0.07120112      -3.35475847
Cl       9.69359004       5.21020003       0.37686803       0.16247508       0.45632757       0.21326785
Cl       9.73523003       4.49966998       4.29055004      -0.86805137      -0.42524082      -0.68218446
Cl       2.09696002       3.70433004       4.83168000      -0.18890542       0.18894435      -0.46318542
Cl       6.09562995       9.68724995       4.74820995       0.17916489       0.17407013      -0.45783835
Cl       9.00037999       1.37560000       8.72016995       0.18733498       1.07451703       2.83408742
Cl       0.40031306       8.04781995       9.81173002      -1.19143235       0.17214709      -1.54404403
Cl       6.02544998      10.88219996       8.97176997       0.36824301      -0.70909088       0.37282522
Cl       8.88383997       0.46535198       6.26263998      -0.03399460      -0.45479451      -2.72156422
Cl       1.94322998       6.47415996       1.40423995       1.90937651      -2.61084447       4.37977629
Cl       9.91796997      10.69669999       2.20756005       2.17710919      -5.11529717      -1.59576683
Cl       9.77810002       5.22822005       8.06349999       0.10976440      -0.15535777      -0.27731889
Cl       4.01017995       3.40040006      11.03280001       0.67585870       2.06626454       0.28567360
Cl       1.67359000       9.63557001       0.93403697      -0.40636237      -0.09826108      -0.57732581
Cl       7.81950996       7.90842004       6.46656006       0.11044808      -1.35246549       0.28255855
Cl      11.32569999       9.93986995       6.86885999      -0.38165056       0.61062952       0.89626646
Cl       8.91456000       8.86206002      11.17080002       0.04531914      -1.27820485      -1.12242093
Cl       2.42948994       1.27020005       8.19911005      -0.29191719      -0.03246663       0.12321111
Cl       5.29144005       5.18374002       3.72036995       0.16108953       2.39225025      -0.77402644
Cl       6.23131005       6.42328996       8.96309999       0.47927569       0.12469639      -0.74300337
Cl       6.12767995       3.61839999       7.26531004       0.32048363      -0.23050096      -0.13805597
Cl       4.78842000       1.52548996       5.28728001      -0.21809371       0.17935467       1.02348646
Cl       4.75811005      11.30419999       1.73895004      -1.28232549      -1.07447602      -0.34840749
Cl       6.65365997       4.09440997       0.35883495       1.67234397      -0.38247779       0.02773225
Cl       7.46087002       1.94806997       3.48526003      -0.57154158       1.21942995       2.66512251
Cl       1.23135998       6.71237004       6.10718996      -1.36267859      -0.51233121      -1.03696521
Cl       1.66505003       4.82325994       8.77730998       0.51132732      -0.56853061       0.05941684
Cl       3.00444996       9.09389997       5.23232002      -0.26929243       1.07709908      -0.52687345
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.50251121 stress="-0.01957183443629488 0.002324566699856316 -0.00474975294933476 0.002324566699856316 -0.002649974362926367 -0.0006758050179632231 -0.00474975294933476 -0.0006758050179632231 -0.033749523122488446" free_energy=-220.50251121 pbc="T T T" config_type=melt 
Li       3.65795004       2.11984994       4.10925999      -1.71125744      -0.03304538       0.53086693
Li       3.66917999       6.03180005       1.26472000       0.46697183      -0.37727190       0.60280658
Li       8.87150005       9.52422995       8.84864004      -0.07568163       0.12716425      -1.34857422
Li       6.30176000       0.22480204       2.67002006      -0.04964293       1.64471555       1.47993920
Li       5.36746003       4.04591996       6.06673996      -0.15555521       1.10103990       0.46496818
Li       9.70525002       2.64212999       7.99070996       0.26308739      -0.07551744       0.00684869
Li       4.31984002       9.55002997       9.73531005       0.20356740       0.17674083      -0.33284863
Li       1.49878002       4.17753999       0.31206103      -0.00224382       0.21128092       0.14595756
Li      11.31320002       8.41943998       4.68804002      -0.03661659      -0.04431536      -0.39265600
Li       6.69717001       4.72505004       2.51893999      -2.50631654      -0.12581340      -1.79526469
Li       9.89263001       5.85358002      10.43849999       0.52739987       0.27090767      -1.21203716
Li       0.68812805       7.73899999       0.62271998      -0.01727255      -1.00125398      -0.55015797
Li       7.43341995       7.91511002       4.46184003       3.25155610      -0.06098450       0.55061452
Li       6.28317995       0.68589997       7.11518999      -0.52515986      -0.25765337       0.07278970
Li       6.63522002       5.71175999      10.26919997      -0.54791372      -0.60644945      -0.38847190
Li      10.27349999       2.52513999       0.44507396       0.44364230       0.23526437       0.35066209
Li       8.46479004       2.07424997       4.54178000      -0.43674479       0.71452265      -1.19519700
Li       1.97139004       0.09715473       0.45622194      -0.20628782      -0.06136455      -0.14581843
Li       1.54675001       6.18350996       9.18125997      -0.55843732      -0.54270683       0.29260174
Li      10.05549994      10.12059997       1.40201003       0.37991875       0.49416315      -0.25499701
Li       1.53211001       5.09075003       5.88000002       0.02259293       0.18057359      -0.38994650
Li       3.37562999       8.00274000       5.32491001       0.00273903       0.10077140      -0.02473856
Li       1.00134995       9.18193005       8.85209996       0.28918708       0.25633079      -0.04326856
Li      10.26750005       5.22216003       2.76769996       0.45752190       0.19479364       0.29756782
Li       7.36606994       8.41458004       0.88566803       0.19576329      -0.26258192       0.09321048
Li       0.40693804       0.77934405       5.68119003       1.03155074      -0.77873109       0.38238876
Li       7.40218999       0.64879697      10.72320002      -0.46794009       1.26235676       7.23185892
Li       4.06545005       8.98626001       2.44897005       0.05506179       0.08129382       0.01246305
Li       4.56082996       1.94829995       0.26097195       0.62709471       0.31539239       1.07851917
Li       9.65927998       6.15794003       7.08024996       0.09472601       2.13367498      -2.20709331
Li       5.86443004       7.29198994       7.16061995       0.22575082      -0.01569824       0.40940229
Li       2.72895998       2.01426003       8.22881996      -0.60493564      -0.19221821      -0.93677074
Cl      11.16790002       7.59637999       9.59697998      -0.46220463      -0.26429274       0.73598750
Cl       8.36648005       8.56256005       6.41350004       0.02542763      -0.09362433       0.75996898
Cl       1.52737996       6.94192998       7.27806004       0.34416569       0.46943656      -1.48676568
Cl       2.10646001       9.04688003       3.67361001       0.81854560      -0.43072510       1.84381929
Cl       6.56268999       5.11016995       7.42532995       1.02759812      -0.12871129       1.04890339
Cl       5.67175997       7.78344001       9.76052000       0.26433823       0.18347396      -0.72825304
Cl       0.10731988      10.92119995       7.77500998       0.07097942       0.02737100      -0.16922480
Cl       7.46505999       0.30705504       9.07252998       0.56372895      -1.09711761      -7.36838667
Cl       4.78420000       2.13236997       2.42199999       0.37315692      -0.42390032      -2.26024737
Cl       2.10717996       2.33036003       5.93829004       0.07316134       0.43585639       0.07033503
Cl      11.41319996       3.73440005      10.20259995       1.09091479      -0.45881800      -1.57345698
Cl       6.16313002       6.23748998       0.97864804      -0.29809829       0.39153552       0.57968055
Cl       6.44275001      10.48020004       1.17797003      -0.60719263      -0.80960501      -1.57543264
Cl       8.25956005       4.70234997       3.50724004       1.61853284      -0.77587538       2.49090241
Cl       9.24556999       8.68546000       2.72601000      -0.54640629      -0.63091510       0.74975354
Cl       4.67908000      10.50280004       7.09339995      -0.08961069      -0.14901093       0.14152197
Cl       5.64749995       3.46176995      10.64410004       2.27578857       1.27675059       0.39469013
Cl       5.47192003       2.30209004       5.03636005       2.24684866      -1.28857209       1.94121971
Cl       5.65781998       7.96225997       3.88512999      -3.02653063       0.79737675      -1.36766972
Cl      10.60520002       6.28636003       4.80539000       0.67622537      -0.14533620       0.74412308
Cl       9.32729999       1.33564996       2.31797001      -0.51318402      -0.34057075      -0.20614537
Cl       8.95725997       9.36079999      10.88790000      -0.04031719       0.10409463       1.08054304
Cl       1.63213000       5.23385004       2.49238000       0.24346114       0.05653625       0.24113913
Cl      10.09409994       1.73738998       5.76755000      -0.96326806       0.74498038       0.88786658
Cl       9.71705995       4.83818999       0.70288304      -0.96142091       0.08732613       1.35522860
Cl       3.59934005       1.87002998      10.02790003      -1.97601638      -1.81330575      -1.36957164
Cl       0.90607296       9.64259005       1.31769002      -5.34787899       1.68850540       2.73903504
Cl       4.37001000       6.04591005       5.87055002      -1.62635438      -0.11295515      -0.64067462
Cl       2.44595999       6.28584001      11.05479997       0.15898596      -0.00186854      -0.08060311
Cl       9.45825004       4.81127003       8.39599003      -0.67271309      -1.38072581       1.14121386
Cl       1.20018998       2.06195005       0.79106605      -0.02276685      -0.76690019       1.26693744
Cl       2.62021005       9.59877999      11.22210004       4.64597780      -0.21579430      -4.17206269
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.59405172 stress="-0.01910367899683685 -0.0003298098369055917 8.441641092757108e-05 -0.0003298098369055917 -0.029037894933686952 -0.004440027040494436 8.441641092757108e-05 -0.004440027040494436 -0.016884912249245074" free_energy=-223.59405172 pbc="T T T" config_type=melt 
Li       6.47861005       1.01462994       2.26812997      -0.34184124      -0.07360506      -0.57724365
Li       9.67624998       2.86925996       1.23875995       0.56374420       0.65862529      -0.28528173
Li       3.38463999       0.49212704       3.94726995      -0.05456824      -0.68193845      -0.09583074
Li       1.75935004       6.03349997       1.15819002       0.50223121      -1.72156221       1.84450073
Li       6.21924997       8.15572004       8.42841995       0.86696269      -0.94501102      -0.07282933
Li       2.09903998      10.00039997       0.57181101       0.09406265      -0.14611197       0.36666493
Li      11.29879997       7.46998000       9.07344002       1.59570618       0.67447037       0.17683990
Li       0.63764200       2.16960996       3.20920005       0.44777106       0.07081855       0.33442336
Li       3.37017998       2.67919996      11.22940003      -0.29654429      -0.04159718       0.84330301
Li      10.12649995       6.69159000       1.85416995       0.44386480       0.04952692       0.09820038
Li      10.82000005       1.46707005       7.04818999      -0.11236351      -0.21857193      -1.10467228
Li       8.19946005       1.81965995       9.98976995       0.15700260       1.00199255      -0.09879510
Li       5.43944001      10.49270001       6.40599002      -0.24022016      -0.98124537       0.16400977
Li       7.72634996       5.25044000       7.80699005       0.55458222       0.45169998      -0.33745164
Li      10.10250005      11.01920005       2.69365000       0.23555401      -0.04551322       0.22278904
Li      10.71319996       4.13334003       8.88919000       0.15651891      -0.42704488      -0.63250597
Li       4.48070003       2.48688002       7.24911995      -0.34885653       0.45766755       0.24664123
Li       7.53376003       1.78368997       5.79190001       0.67913416       0.35050099       0.47758295
Li       3.97555003       5.66177997       9.06311999       0.49666262      -0.49636744       1.49844998
Li       2.19279005       4.53408999       5.84492999      -0.32583312      -0.57727555      -0.29096022
Li       4.78283001       7.44328003       0.03159429      -2.07570404      -0.48870550       1.06256297
Li       9.93623004       4.57627005       4.56265003       0.38153530      -0.19407897      -0.37769585
Li       4.63244996      11.42479998       9.76096998      -0.37166020       0.21563959      -0.03103504
Li       1.27856003       8.79348000       4.45042998      -1.25411122      -0.89403442      -0.68177283
Li       8.82081005       7.91085998       5.58914998       0.33271571       0.21631457      -0.28921008
Li       8.42167001       6.08153003      10.93110004      -0.79034807       0.73020767      -0.06632229
Li       1.93188000       9.90733994       7.38926000       0.40102720      -0.25533559      -1.24093202
Li       5.57158005       9.41944999       2.80598997      -0.71991481      -2.23390938      -1.11624128
Li       0.57668906       0.95626896      10.07479994       0.79964786      -0.20705425       0.42571596
Li       4.80122995       6.42568004       5.66977000      -0.32228081       2.02200829       1.24795707
Li       7.26453998      10.01929999      10.99190005       1.03858327      -1.58336233       1.23475422
Li       6.95294005       4.68013001       3.16859002       1.00815114      -1.21971718      -1.48851929
Cl       6.45625000       8.02617001      10.73960002       3.44489327       0.64010436       1.75628122
Cl       0.78914899       3.08141002       6.98004000       0.04306701       1.03583207       0.20256746
Cl      10.25740001       1.57924998       9.04439996       0.14073233      -0.73989591       0.80117610
Cl       7.88416002       3.16868999       7.84621004      -0.60208712      -1.58222305      -1.45383124
Cl       2.87302001       2.47542995       4.49591004      -0.37981566       0.82712031      -0.26137359
Cl       5.49438005       1.11804004       6.01486994      -0.05463021       0.17895946       0.15363263
Cl       9.37464999       7.00133995       8.95501996      -1.09596550       0.21356517      -0.13231206
Cl       4.09599995       2.33714001       9.35128005       0.65893628       0.97674634      -1.20283189
Cl       8.84865002       5.79397998       5.87313005       0.04053512      -0.41751008       0.11755221
Cl       9.04888995      10.22039997       1.01717994      -0.51879703      -0.32108963      -0.32430167
Cl       3.29899001       4.83867000       0.25953204       0.66629551       0.32261002      -0.33906634
Cl      10.76269997       7.88553000       3.53599004      -0.27666996       1.14542217       0.89496353
Cl       0.25116197       2.00616005       1.08716995      -0.41826304       1.17377250      -1.42690674
Cl       4.63319995       9.22428002       9.10910000      -1.55430141       0.47034831      -1.04268749
Cl       7.64583999       2.33212003       1.30574998      -0.52102507      -0.04231078      -0.26294439
Cl       1.05259998       7.39014997       0.03657908      -1.46633869       2.09205936      -1.94271316
Cl       6.25581999       5.76799997       9.19713994      -1.25381177      -0.74762569      -0.33153953
Cl       0.84894897       8.29577995       7.13639994      -1.44030514      -1.86568106      -0.01650472
Cl       9.59631001       1.19570997       4.83203998       0.15237446       0.15083357      -0.06042609
Cl       2.53349997      10.17159997       5.17272995       1.65717356       1.19142189       0.36947029
Cl       3.51425996       5.81748003       7.10557995      -1.31886794      -0.33841040      -0.49347790
Cl       8.61639001       5.04815003       1.97180997       0.07129898       1.08826174      -0.44011639
Cl      11.46205419       4.95508999       2.99818003       1.29692459      -0.86563105       0.13612550
Cl       9.09845003       4.23854004      10.26980001       0.58394311      -0.89137795       1.31467366
Cl       3.34521995       0.45400498       0.14544205       0.06487631      -0.36085430       1.10130378
Cl       2.55661001      11.23020001       8.60263001      -0.92949949       2.15626729       1.22995832
Cl       5.77727996       5.52213003       4.36807002      -0.45957375      -0.63685495      -0.72548181
Cl       0.84252404      10.98570005       2.24112001       0.42742784      -1.06813346       1.05541617
Cl       6.83688003       0.24079700      10.18350000      -0.83671186       1.32892578      -1.13529440
Cl       3.72741005       8.67328001       1.95108003       0.01695282      -0.46932880      -0.34760275
Cl       6.20667996      11.00009999       3.62617002       0.66719365       0.96327865       1.33726912
Cl       6.57346000       8.15526995       6.16318998      -0.30717275       0.92396768       0.01192600
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.46354213 stress="-0.0076705675082585755 -0.002388955955485629 0.0014680779256568716 -0.002388955955485629 -0.012230810926585206 0.004152746491006593 0.0014680779256568716 0.004152746491006593 -0.01562334030782532" free_energy=-225.46354213 pbc="T T T" config_type=melt 
Li       7.73509996       0.45217402       1.41774006      -0.30643908      -0.14121309      -0.42141645
Li       8.93957001       2.58475000       5.24802001      -0.36455602      -0.02465355      -0.16696044
Li       4.09630994       7.02994997       5.51417003       0.20730143       0.18734930      -0.34292936
Li       9.99982997       4.57743001       2.88498998       0.08002892      -0.26505327      -2.62635244
Li       7.68499005       6.31251005       6.16240995      -0.16787716       0.25465093       0.19566366
Li       5.13442997       8.99662005       1.60003999      -0.80809607       0.73212150       0.88376682
Li      10.39549999       0.03584193       9.55257997       1.98915858       0.34348836      -2.43164761
Li       5.54808997       2.60752999       3.36794995      -0.64535587       0.13938149       0.41049499
Li       4.26682002       0.84362095       0.62030296      -0.69204745       0.12040556      -0.51088893
Li      10.73399995       8.10395996       8.14312997       0.68292208      -0.50886337       0.20899618
Li       1.87059001       1.85985004       6.35724001      -0.32148812      -0.22569286       0.16121259
Li       6.46340004       1.51628002       8.17464997       0.05736709      -0.42412519      -0.09042404
Li       9.99360005       4.55976998       8.15222997      -0.69415489      -0.04930571       0.05631518
Li       8.26788999      10.57549997       6.53609997      -1.22715448       0.11488092      -1.04175417
Li      11.42060004       1.41473000       1.37675996       0.32387741      -0.12144876      -0.36015002
Li       7.65883005       3.29427006       0.39615003      -0.42148028      -0.40083473       0.30013942
Li       2.06640003       3.58796003       8.91095001      -0.00015928       0.17562917       0.19574888
Li       5.41656006      11.20929994       5.13972005      -0.37132087      -0.25926852       0.07399701
Li       5.44374003       4.43969998      10.03319997       0.31003124       0.97258831       0.65580263
Li       0.62105295       5.58622005       4.99896001      -0.45450171      -1.01608400       0.37504242
Li       0.10778395       5.66472996      11.26449999      -0.19599180      -0.38835593      -0.91932855
Li       3.48908004       4.59010996       1.08767999      -1.97328305       0.31463292      -0.04738687
Li       2.28287006      11.31779995       8.87675997       0.65927367      -0.42445221       0.23538963
Li       2.38436000       0.04892806       3.33320997       0.23907716       1.60859173      -3.99468556
Li       8.95747000       8.70292996       2.16730002       0.68674801       2.07240762       0.24084596
Li       6.63245002       5.92059000       2.41776004      -0.90041456       0.04543543       0.38012043
Li       3.37681998       7.19463000       9.36168996       0.37343062       1.76230532      -1.69552462
Li       7.80145005       7.14322004      10.35919996       0.18810425      -0.27327181      -0.13359554
Li       1.18334998       9.20600997       0.09121990       0.41733671       0.09098779      -0.24500781
Li       0.50632497       9.32443002       5.04447997       0.20601096       0.37432970      -0.15868056
Li       5.42537001       9.84758995       9.56511995       0.31942418      -0.64543478       1.22213355
Li       4.77650999       4.16055004       6.05853005      -1.93317971      -1.49985444       2.71173022
Cl       6.41408999       8.84974004       0.10202900       1.52634949      -0.25156902      -1.63299030
Cl       6.01995997       1.04106004      10.89409999       1.09491817      -0.01606417      -0.00214046
Cl       0.02756208       5.55310995       8.90985001       2.57021804       1.09829565       2.01617280
Cl       4.65745997      10.94409996       8.09610005       0.09895586       1.50917438      -2.06710474
Cl      11.32109994       3.92789004       1.11651002      -0.27269067      -0.74217023       0.55323776
Cl       5.08261005       0.43064697       2.51638999       0.46980176      -1.31062274       1.24169182
Cl      10.28970005      10.92219997       3.49352005       0.16756056      -0.29238213      -0.29103678
Cl       1.46619005      11.33309995      11.05562906      -1.51978360      -0.29997262      -0.10296482
Cl       5.13124003       6.63246000       7.47063002      -0.16688352      -0.00109181       0.43167674
Cl       8.58066995       6.79917000       2.16406996      -0.16176950      -1.76498980      -0.26283008
Cl       3.26778000       5.57028998      10.35479997      -0.43830339      -2.50298327       1.47714136
Cl       7.19778004       8.89635002       5.44231995      -0.22600103      -0.10748022      -0.32314093
Cl       1.48665001       4.01061995       6.86488005       0.01593869       0.46717167      -1.36743919
Cl       5.04210996       3.00820004       8.67126998      -1.10394507       0.07605386      -1.22765275
Cl       8.61029995       3.45084002       7.21625003      -1.03137596      -0.90554659      -0.06240599
Cl       9.07800005       6.86075004       8.17779004      -2.12595821       0.22028784      -0.42957288
Cl       2.41804997      11.00580003       5.07102998      -0.55959312      -2.04419889       3.87847842
Cl       9.32590995      11.30682806      11.08440005      -1.66190091      -0.11994040       2.74735694
Cl       3.58384000       2.34330000       5.19878001       1.44582838       0.44964579      -0.86669963
Cl       0.80086801       1.35314996       8.37411996      -0.43429481       0.12552239      -0.22222298
Cl       5.87472004       4.91543000       4.75522002       2.12757296       1.35151382      -2.67957208
Cl       4.26911998       7.44949000       2.62111997      -0.25621060      -0.76410251       0.69770569
Cl       0.35804001       7.39176002       0.92167000      -0.05475832       0.83197650       0.59275157
Cl       8.31031001       4.81065004      10.49850002      -0.36421690       0.17340570       0.05351740
Cl       7.07675003       1.01192002       5.88954002       0.29757979      -0.02337509       0.07162223
Cl       3.11849994       9.29288995       9.93510998      -0.06317866      -1.46531079       0.37723298
Cl       1.77325002       7.22691995       5.49955995      -0.00214145       1.24429268       0.11801767
Cl       2.35306997       1.63635998       1.48731998       0.04865753       1.42336864       1.39559389
Cl       9.73414998       5.09476998       4.70669000       0.26041324       0.42063800       2.15064096
Cl       5.44382005       4.43781996       1.02270000       2.04070082      -0.53251935       0.22745044
Cl       9.91539004       9.95722997       7.50524000       1.57162583       0.57571191       0.71752873
Cl       7.62254996       2.32200005       2.72816998       1.44429264       0.53598695      -0.33071036
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.29669254 stress="-0.011215920227962924 -0.005137544065453885 0.0009199004222543703 -0.005137544065453885 -0.0007463451060738384 -0.00693584367399602 0.0009199004222543703 -0.00693584367399602 -0.011127818124756899" free_energy=-227.29669254 pbc="T T T" config_type=melt 
Li       5.61749002       0.88061698       0.88150799      -0.22101456      -0.01503369      -0.00668175
Li       9.94269005       2.14313997       1.65021995       0.29781517      -0.28268889      -0.75363966
Li       9.38893001       8.29139005       5.74500996       0.08319633       0.02724542       0.35323283
Li       5.95232003       5.60139005      11.02639996       0.39033371       0.39163406      -0.20831477
Li       8.48796003       4.48795004       5.19649999       0.47235720      -0.19208170      -0.84379154
Li       3.02583004       5.00735003       9.64049002       0.83162975       0.79216875      -0.24208842
Li       7.45680995       3.17656996       8.90263004       0.11183644      -1.13666009       0.34117981
Li       5.30026995      10.19110002       5.28137005       0.29286153      -0.29759715       1.47241881
Li       2.72846003       8.38018996       5.00938001       0.46350454       0.20142869      -0.12078534
Li       3.84955003       1.30240997       9.32079997       0.08552600      -0.24764066      -0.16313817
Li       8.96952996      11.07930005       7.07417000       0.46577669       0.95398439       1.87040429
Li       5.02557995       4.08894999       3.14343005      -1.08725287       1.19959121      -0.79156305
Li       0.90453296       7.16089005       7.53206997      -0.23035266       0.08473043      -0.63685237
Li       4.66313995       8.75003004       1.29148004       1.87459378       0.20085985      -0.41333556
Li      10.80950003       1.55828995       4.73340005      -0.32833602       0.13635449      -0.38730027
Li       5.21710004       5.61339005       6.18578998      -0.33881371       0.02167134       0.41086380
Li       6.86332996       7.72545002       3.75480005      -0.87598888      -0.20825933      -0.20017990
Li       2.07765004       3.45265998       0.84536604       0.02511684      -0.36364621       0.60592702
Li       7.77777001       7.35676003       8.20955997      -0.17327808      -0.13394778      -0.18159780
Li      10.41629998       4.68936999       9.32949001      -0.71764020      -0.11253384      -0.32111195
Li       7.60877001      11.03519994       9.89601002       0.51238846       0.67596857       2.42068218
Li       3.44016999       1.55091005       5.17666999      -0.33474112      -0.19392906      -0.14420009
Li       0.02671991       1.03061998       9.77005003       1.14867471      -0.71804232       0.81045489
Li       9.07598004       7.55948003       1.05341005       0.80235323       0.13842376      -0.33997694
Li       1.90331996       6.76748996       1.10719999       1.72278628      -0.09128784       0.08813064
Li      10.81849994       6.76328004       3.93871003       0.73667470      -0.25652791       0.10220742
Li       0.95856904      10.50530005       7.05349004       1.11651361       0.87747140      -1.12034239
Li      11.13690003       8.77980002      10.20979998       0.30522365       0.36246086       0.18181344
Li       9.87641000       9.98610000       3.07609999       0.13629464       0.12097669      -0.06468674
Li       1.22766997      10.47440004       1.30955004       0.01430338       0.41196613      -0.02538424
Li       4.20065003       9.14723994       9.03419996      -0.32935154       0.08181884      -0.04012305
Li       1.16514001       3.71763996       6.52655000       0.00789054       0.39753806      -0.02947669
Cl       1.80472004      10.15940002       9.70912002       0.77702501       0.13134601       1.24330046
Cl       0.49591495       1.74869995       0.84696496      -0.09885021       0.27305806      -1.06515862
Cl       6.08168996       5.24466005       4.12086999       2.20821132       2.46128689       1.63894651
Cl       0.89209697       0.45410999       3.53557997       0.23676056      -0.82369502       0.05579042
Cl      10.92170002       4.74136004       4.87428000       0.26054529       0.07564270       0.25714717
Cl       7.91687999       4.92674995      10.00610001       0.53349593       1.04294259       1.23378604
Cl       6.89922004       8.35282999       5.90864995      -0.42315112      -0.60286010      -0.01926307
Cl       0.63190298       8.29632003       5.33305000      -1.55788857       0.57400508      -0.38683918
Cl       7.35686000      10.32080001       8.16651996      -1.09468088      -1.30088129      -1.59850842
Cl       3.90556003       2.64162005       7.08009004      -0.01595476      -0.08213855      -0.08744566
Cl       9.90480003       1.70558004       8.76262997      -2.06354191       0.81345061       0.40587080
Cl       7.65524999       4.22388996       7.09733999      -0.69173179       0.14018336      -0.78913539
Cl       7.00057001       7.69595999       0.95695201      -1.63755126      -0.00895551      -0.56230417
Cl       9.89980997       6.78251997       7.54266995      -0.30829682       0.00432318       0.23733311
Cl       7.04859995       1.47806005      10.66420002      -0.10659625       0.96686617       0.42055953
Cl       8.94111001       7.76422003       3.26823995       1.14915451       0.12480700       0.71718332
Cl       2.72131996       8.72403994       1.67966997      -1.90373229       0.13874423       0.47539978
Cl      11.01530002       9.76746999       8.20888999      -2.99323987      -0.78300438       0.13044902
Cl       2.95373004       3.07346997      10.43599997       0.44040914      -1.13105110      -0.30384486
Cl       4.09484997       5.67613004       0.73416699      -0.98226087      -0.11489616       0.41914745
Cl       5.04456996      10.16139997       3.28303002       0.29951173      -0.00202385      -0.96872743
Cl       1.06649997       5.19498005       8.75964995      -0.32599417       0.10432164      -0.16380033
Cl       8.96888005       2.87531998       3.26751002      -0.68084118      -0.24359717       0.73059504
Cl      11.40890005       7.05004995       0.91559301      -1.57206446      -0.39025550      -0.43252673
Cl       4.72058001       6.62580005       8.79946000       0.13689182       0.18563379       0.04595425
Cl       2.68963005       6.23166005       5.59415001       1.21360344      -0.95419337       0.31842621
Cl       0.31731201       1.64794005       6.66449005       1.33105208      -0.14683810      -0.40608152
Cl       3.23356004      10.16240000       6.69866002       0.85989974      -0.05900788      -0.44593001
Cl       4.67212003      10.74840000      10.70890005       0.49775596      -0.03934131       0.32963163
Cl       9.91589998       9.98535001       0.35457299      -0.02569627       0.12739502       0.45188746
Cl       4.63498001       2.41646996       2.49608996      -1.07495048      -3.44843333      -1.08598470
Cl       9.50000994      10.51370005       5.29629999       0.35182510       0.14074984      -2.41860258
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.07780541 stress="-0.01427660852932601 -0.0024226412117172745 -0.001387227357549518 -0.0024226412117172745 -0.012504764512164826 -0.0009717623636416504 -0.001387227357549518 -0.0009717623636416504 0.0021509002848133433" free_energy=-226.07780541 pbc="T T T" config_type=melt 
Li       1.71657005       0.42436798       0.56557100       1.15022280       0.05385686       0.56395668
Li      10.44689998      11.08160001      10.21389995       0.53525630      -0.22383617      -0.30408636
Li       8.52525001       8.81528999       6.81772999      -0.25045454      -0.28282043       0.78266541
Li       0.88362005       8.84100999       7.62543999       2.30015260       2.43296119      -0.84186788
Li       7.83567001       3.74211000       4.36606996       0.66936432       0.54277523       0.48470066
Li       0.82741905       5.76907005       8.53826002       0.61614513       0.17464866      -0.05162400
Li       5.04627997       4.00115000       6.21519998      -2.20479380      -1.34438698       0.26399094
Li       4.83554002      10.76569994       6.14064995      -0.39189311      -0.17750678      -0.48033318
Li       5.24049004       3.76453998      10.03190003      -0.19850893       0.27724572      -0.02462800
Li       5.88127004       1.00901004       3.10344001      -0.78353933      -0.39976289       0.25444672
Li       7.15957006      10.23410001      10.89119999      -0.85483541      -0.98736129      -0.42478386
Li       1.95351000       3.92697003       4.61182996      -0.00946752      -0.16324248       0.33522185
Li       2.41811004       0.70201599       5.09075003      -0.20548560      -0.45308927       0.09060387
Li      10.44839997       5.31387003       2.62383001       0.15697633      -0.02682823       0.15888893
Li       4.45902005       9.15341002       2.11878996       0.17467095       0.09939980       0.24872374
Li       9.81529003       6.98594995      10.58740001      -0.58060546      -0.49301914      -0.68725114
Li       2.54637000       7.64307997       5.12373001       0.04354315      -0.94757496      -0.31522616
Li       6.78428994       6.59674005       0.82435396      -1.86881597       0.44188296      -0.95066138
Li       0.18846199       3.61152005      10.86810004       0.17498163       0.71167067      -0.17649715
Li       6.21465004       6.81957000       4.95395996       0.52092191       0.16334057       0.33572225
Li       3.97807000       0.22030598       9.45475997      -0.22048203       0.51175127       0.35811794
Li       9.11449005       0.61743494       2.41791996      -0.17743224      -0.26130178      -0.60954671
Li      10.25850001       1.08206995       5.30984996      -1.03766751      -0.71472851       1.27399122
Li       8.53374997       8.97821003       3.13506995       0.07796982      -0.27821690       0.73931786
Li       8.54728000       5.34927998       7.27839995       0.18482719       0.42123866      -0.09089588
Li       4.40163995       8.15336998       9.67351001      -0.07946125      -0.35742535      -0.05740782
Li       3.45870005       5.84183005       1.38616995       0.03889397      -0.39394248      -0.18828111
Li       0.89262604       7.93349001       0.90919399      -0.38617333       0.07420420      -0.40689993
Li       8.68784996       2.92407997       8.99801996       0.08756811      -0.20795452       0.13172027
Li       7.36226999       3.46052000       0.93209297       0.37404671       0.29598318      -0.35971660
Li       7.38922997       0.20521703       7.81146995       0.00725929      -0.38261450      -0.14103425
Li       0.66757500       2.30114997       7.96158002      -1.14516807      -0.19731172       0.28125712
Cl       7.54406000       9.04095999       8.93751997       1.09928838      -0.44211706      -0.02254776
Cl       2.56497997       9.43620996       6.18178998      -0.60825540       0.55101482       0.94301302
Cl       8.42595995       6.00281995       1.53774000       2.42010146      -1.09930845       1.12012110
Cl       7.61129995       4.99061000       9.31192994       0.23709901       0.31949371       0.25205068
Cl       6.72329997       4.95887997       5.80462995       0.91576890      -0.74061467       0.49879058
Cl       0.25425503       1.62839001      11.12329996      -0.49245582      -0.86975574       0.11318769
Cl      10.93384814       4.00324005       8.76786995      -0.81154200      -0.54395201      -1.10292701
Cl      11.44599995       5.69148003      11.12827110       0.60215612       0.74842670       1.00563686
Cl       7.30199000      10.10260002       1.68228004      -1.20145185      -0.76694679       1.84537413
Cl       2.22261999       5.55142000       6.47638001       0.12151204      -0.17076799      -0.48500490
Cl       4.85612998       7.36630003       0.46566805      -0.02997175       1.67012505       0.56412608
Cl       4.99179002      10.06770000       8.29132998      -1.03111149       0.41429513       0.35443935
Cl       7.71261002       2.42283997       2.79912998      -0.08288557      -1.28177286      -0.72385376
Cl       8.21219996       7.38363998       5.09977001       0.44476297      -0.48423867      -0.45000905
Cl       6.49168001       2.01962003       8.90887005      -0.06817876      -0.23985262      -0.20426549
Cl       1.77923002       9.87235004      11.30520002       0.33391463      -0.94135628      -0.23372154
Cl       4.58845005       7.41185002       4.02545003      -1.26391728       0.25520248      -1.08247595
Cl       9.61793004       9.80782002       5.37823004       1.45182477       2.06188598      -1.34796169
Cl      10.18530001       3.64798998       4.38074997      -1.10516315       1.66781546       0.24475722
Cl       3.90382995       2.28385002       4.69279999       0.91129882       1.45036907      -0.49621258
Cl       4.05588001       1.05154997       0.36771988      -0.18820352      -0.57845782      -0.65552206
Cl       0.45787704       1.51408999       4.30459000       1.97086757      -0.86220055      -1.09091337
Cl       3.64102005      10.69199998       3.59575999       0.42356108       0.20559529      -0.56374031
Cl      10.39940003       0.58711903       7.91252998      -0.44689096       0.28308923      -0.05943435
Cl      11.02990001       7.59259002       7.97222999      -2.60656812      -2.26191471       0.74672278
Cl      10.09769996       8.85528004      11.34859507       0.58638742       0.34176819       0.87321486
Cl       2.50539999       1.76556001       7.37620998       1.26776641      -0.66445486       0.42568525
Cl       1.39692001       6.18165997       2.67950996       0.04546499       0.06619288       0.05063138
Cl       3.50584999       5.76741999       9.94318003      -0.50504339      -0.45316777      -0.87380887
Cl       6.80287996       0.13590296       5.36501998       0.05808634       0.29294594       0.26625344
Cl       5.31889001       3.89235994       0.83175003      -0.35316574       0.82213335       0.25250270
Cl       8.64629000       0.03064815      11.24620002       1.18692775       3.34249098      -0.35669253
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.13071923 stress="-0.017229354723835952 -0.002184941101095363 -0.0020071982004045484 -0.002184941101095363 -0.0013307881055806255 0.0025432403376135946 -0.0020071982004045484 0.0025432403376135946 -0.00663236540968505" free_energy=-226.13071923 pbc="T T T" config_type=melt 
Li       9.90515004       2.67713995       8.16729002      -0.00112296       0.26395016      -0.59487996
Li       3.20257003       5.85298995      10.87650003      -0.77063617       0.18177152       3.19407482
Li       1.48728995       0.68992095       8.44826004      -0.34443704      -0.28834710      -0.01217847
Li      11.01200002       6.28518999       9.26231002      -0.17855149      -1.19664130      -1.32535206
Li       0.51931205       0.24639501       3.91330002      -0.66952926       0.02317528      -0.18842580
Li       3.38627996       9.44063999       5.32645001      -0.05496557      -0.29852580      -0.75353075
Li       9.34968996       5.13103001       5.62316003      -0.32786068      -0.96654790      -0.18856908
Li       3.22338997       2.55462004      11.03780004       0.11923596      -0.21668423      -0.02127472
Li       1.91245997       8.78790997       9.35597995       0.20407971      -0.59564592      -0.62896631
Li       2.33218996       5.96072002       3.98607997      -0.36919675      -0.55144399       0.06413631
Li      10.56279995       3.82158005       0.96693900       0.16605585      -0.04706874       0.35066594
Li       7.90786001       7.00726996       8.22709997      -0.38755280       0.13593871       0.43364082
Li       5.30662002      10.71450001       8.31771995       0.89869792       0.07442354       0.40424691
Li       8.01374995       2.72313005       3.69103996       0.32400977      -3.19520249       0.66485125
Li       7.54898001       2.20494998      11.43759996      -0.11274275      -0.21435187      -0.14577517
Li       0.16115797       8.48770002       5.16962004      -1.12618532      -0.35349776       1.47975857
Li       5.24324995       0.98125605       2.06246996      -3.34137082       0.51038855      -0.67381834
Li       8.12917003       7.37589001       0.82687702      -2.77887669       2.88855642       1.14497959
Li       8.47600004      10.73080004       2.22788003       0.02085623       0.08957520       0.05024013
Li       9.09186002       0.12822396       6.18684996       0.21647070      -0.14469114       0.11171208
Li       5.23880995       4.85116996       3.87603997       0.47859414      -0.30913023       0.36873689
Li       6.37170999       3.26563996       7.36802002      -0.15090561      -0.63401420      -0.49989404
Li       7.07197000       8.36290996       4.82952999       0.83158016       0.87001886      -1.27990515
Li       0.11305798       6.97117995       1.07909004      -0.12474581       0.15048396       0.39012145
Li       0.04395176       0.64918102      11.28099996      -0.06876872      -0.44557317       0.35860922
Li       8.74662996      10.91880001       9.90899997      -0.09490931       0.21925286      -1.20252968
Li       2.36901999      10.33600004       1.71527000       0.01244613      -0.15630580      -0.36754616
Li       2.10290998       4.50496005       7.58573002       0.47200041       0.21649160      -0.58556035
Li       1.73424005       3.23435005       2.57033000       0.50442613       0.78509352       1.30320102
Li       4.70118004       6.96794003       6.97363995      -0.19210964       0.35019536       2.38018728
Li       3.52667004       1.87330005       5.55174994       0.15574656      -0.16340517       0.14209512
Li       5.17908999       8.33348001       1.06933004       0.29527155       0.29625119      -0.13937901
Cl       5.29907996       1.75580001      10.90100000      -0.11432345       0.07068780      -0.41478829
Cl       6.74293003       7.08863998       6.36066003       0.86246995      -0.64990849       0.88241865
Cl       9.39192998      10.06299999       0.22130406       0.49094877      -0.43585835       0.96995839
Cl      10.31860001       6.89795002       5.13934998      -1.64542405       0.13251362      -1.10137240
Cl      10.55930002       1.82521003       2.40620003      -0.79180382      -0.10476884       0.55593000
Cl       0.37793203       3.93657996       8.64268001      -1.09839970      -0.60691583       1.19901168
Cl       3.08802995       2.25527003       7.77982005       0.34653056      -0.74257861       0.77754921
Cl       6.55868999       8.77516994       9.71946000       0.06348693      -0.50078439       0.21561779
Cl       3.51811998       6.04254001       9.05209995       1.26012641       0.04984057      -2.93635024
Cl       8.07151995       4.34039994       8.29444998       0.09095652       0.65481756       0.15639119
Cl       1.56755997       1.91398999       1.02429995       1.12251552      -0.59449157      -1.79316806
Cl       3.04399003       8.31928001       0.99456998       0.15359303      -0.42525247       0.08094668
Cl       9.48597996       6.26935002       0.34931398       2.56748409      -3.00322984      -1.17214453
Cl       0.76344000       7.25890002      10.51829997       0.86945131       0.50626587       0.37588277
Cl      10.75569999      10.68979999       7.85647997       0.60268086       0.19144091      -0.45460144
Cl       7.60317006       0.08360005       7.91589005      -1.01518455       0.25155263       0.14290864
Cl       9.32194995      10.17989999       4.31886005       0.19609233       0.23671808       0.18146572
Cl       4.01693001       6.65491004       5.18079003      -0.64113593       0.15892256      -2.21510570
Cl       9.99954004       1.70594999      10.13589997      -1.01607305       0.24586599       0.78770979
Cl       3.75925999       0.03909044       2.96347995      -1.31834154      -0.79982684       1.19936805
Cl       1.51206001       9.34511995       4.00919001       0.89202015       1.17554402      -1.08088165
Cl       2.46244001       3.63360002       5.07419997      -0.91697087       0.45200149      -0.86743895
Cl       7.01257001       1.21077999       1.98239999       5.33093828       0.38640750       0.11662421
Cl       0.94184197       6.31616005       6.92433999       0.77864544       1.04645016       0.46524483
Cl       9.34561005       2.39117999       5.65094004       0.26190787       0.17852352       0.41382786
Cl       1.60302002      10.61339996      10.34550003       0.14020018       1.26747631       0.52492604
Cl       4.02701995       4.47640001       2.14612000      -0.06378010       0.00126932      -1.04055696
Cl       6.88799995       8.81106002       2.49602003      -0.28781402      -0.47021372      -0.23151054
Cl       0.90715897       5.28658000       2.31415998      -0.79344990       0.22148090      -0.36577746
Cl       7.81980001       4.55187005       3.37392995      -0.57794388       3.41107503      -0.44856302
Cl       5.57161995       2.13060000       4.97135001       0.85317320       0.48620450       0.50356604
Cl       3.60163004       9.65969005       7.41927005      -0.20758033      -0.06971931       0.33923934
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.58224773 stress="-0.0182638113364736 -0.004353539347314386 -0.0009131676252206613 -0.004353539347314386 -0.010743182247538638 -0.0017663458280816277 -0.0009131676252206613 -0.0017663458280816277 -0.00728595763940884" free_energy=-223.58224773 pbc="T T T" config_type=melt 
Li      11.37473168       7.99411003       0.43528599       0.23846226      -0.31920436       0.27960668
Li      10.49150004       1.07568996       0.55401695       0.26296711       0.40439845      -0.10687914
Li       6.39136997       5.41650996       0.14399101      -1.53732883       2.27472417       1.98040018
Li       5.00134997       7.56072000       8.18619003       1.94672164       3.38595776      -1.02680466
Li       2.25881995       5.09158004       6.34586996       0.40424956       1.00656537      -0.51427836
Li       2.67531999       5.52155005      11.05849995       0.50959439       0.08294381      -0.81089839
Li       4.82236000       3.42517001       4.09338999       0.13264048       0.11745205      -0.11729148
Li       0.86153801       8.83156996       4.26655003      -0.60058279      -0.58663195       0.56488164
Li       5.64242999      10.93180005       8.01789004       0.57261188       0.35020763       0.07700407
Li       8.86039001       8.87997995       5.28878997       0.22948294       0.11317148       0.12440621
Li       7.68855005       7.70170004       2.22103998      -1.37253018      -0.33575821      -0.16852854
Li      10.05399996       7.16944000       8.62403003      -0.43757741      -0.13150287       0.49243293
Li       6.42730006       2.01044999      11.00220001       1.02876240      -0.29186983       0.70406318
Li       9.44793999       4.14653003      11.02410000      -0.77573253       0.98365055       0.52132796
Li       8.40088997       3.42794001       8.20327995      -0.28794081      -0.08994623      -0.43572497
Li       1.76605997       4.12912003       2.98527996      -0.71538009       0.46638217       0.10085391
Li       7.42887001       0.09271989       2.58155995      -0.41192542      -0.39805354       0.45907991
Li       0.74915895       2.36972998       9.42616003       0.46184367      -0.69391877      -1.38105868
Li      10.32669998       5.70652002       4.33061002       0.21563934      -0.14189775       0.36780531
Li       2.06509001      11.18500002       6.40460995      -0.81245546      -0.44971486       0.21951223
Li       1.89191002       8.28349001       9.55916001      -0.00524111      -0.68196118      -1.44590878
Li       6.67128000       5.85477001       5.44448005      -0.38329321      -0.80262183       0.10772968
Li       4.21376000       3.31623997       8.42300996       0.03817647       0.22333576      -0.70341713
Li       9.79459001      10.98170005       8.60180997       0.26581187       0.15137629      -0.82986186
Li       8.81898000       2.72938004       3.81285998      -2.44464367      -1.12294666      -0.15659244
Li       2.76055004       0.60023096       2.46693996       0.01764395      -1.66640606      -0.92194518
Li       5.09700001       9.22508000       4.89264005      -0.67437491      -0.08459368       0.09567518
Li       3.59783995      11.06660003       9.99627994      -0.79207129      -0.77931372       0.14695302
Li       4.11347002       9.34509003       0.91327000       0.10901025      -0.09546788       0.22592236
Li       4.38356995       6.48500001       2.68280995      -0.24844522      -0.03486547       0.78045106
Li      10.84110005       1.58729000       5.39530001      -0.41801943      -0.10255119       0.26085911
Li       7.46609005       8.76333995      10.19269997      -0.31094783       0.15024952       0.48256143
Cl       4.79867995       1.35754995       9.90981004      -0.83255175       0.96259892      -1.12157684
Cl       8.48463001       4.33414996       5.16285003      -0.87224349       1.48152314       1.06888420
Cl       4.13981001       6.00755997       8.48617998      -2.10581611      -4.37600883       2.54091731
Cl       8.01596003       0.19021992       9.59184995      -0.13091452       0.21752492       0.51094454
Cl      10.68699995       7.09059005       6.63658003      -0.10206811       0.01753434      -0.66965131
Cl       9.58167998       7.80486996       2.79047995       2.37772741       0.20026252       0.22095786
Cl      10.31769995       2.53235996       7.74821005      -1.49584624      -1.30710658       0.08859127
Cl       5.63197995       7.73715000       1.42496003       0.18939140       0.52790488      -1.37848414
Cl       1.34186005       3.51235999       7.36733995       2.02504285      -0.33268574       0.44467080
Cl       3.15571999       5.08570001       1.51729999      -0.64447819      -0.46016149      -0.03882232
Cl       5.54126998       3.48016003       6.21901002      -0.26389698      -0.25067882       0.71417697
Cl       7.73039995       8.61133999       8.11986000       0.94609082      -0.34748306      -1.61316097
Cl       1.37837997       6.13874000       4.25992998      -0.63988384      -0.14788416      -0.33555225
Cl       7.34475005       4.12020999      10.62399995       0.48439048      -2.93408418      -2.19835447
Cl       5.32333001      11.15639997       1.37402997       0.19418373       0.61081429       0.38669209
Cl       4.18073004      11.07720002       6.35346998       1.07269919      -0.11773765      -0.47608561
Cl      10.90319999      10.48769998       5.86475998       1.91031529      -0.26226989       0.74973335
Cl       1.00951000       6.56224002      10.47209996      -4.24546408      -2.60544858      -2.16390706
Cl       1.04947998       0.34511989      11.43700003       0.21191182      -0.15055859       0.14270182
Cl       8.71412999       1.55598001       1.78061995      -0.24931930       0.59800900      -1.32885270
Cl       5.92635997       4.85780996       2.45399003       1.20825336      -1.03141279       0.49726493
Cl      11.22360003       3.34040003      10.84510705       0.51991865       0.15953765       1.49845694
Cl       6.75255005       7.74896004       4.34583997       0.63650865       1.09529480       0.50213529
Cl       2.60276004       9.73564997       3.47013005       0.59920743       0.52893146      -0.31540996
Cl       8.73945000       0.14004501       4.57761000      -1.75007616       0.28943853      -0.49233138
Cl      10.65529996       3.19110999       3.71217001       4.10679079       0.39937622      -0.66398271
Cl       1.91662999      10.08100005       8.61528004      -0.33624376       1.28088201      -0.88021325
Cl       4.13867000       6.59139999       5.67856999       0.41913502       0.59471473      -0.86917659
Cl       2.85272996       2.31504995       3.47525000       0.32868849       0.69484850       1.07725258
Cl       5.24296999       9.39113998       9.52490004      -0.79232224      -0.02806205       0.87745521
Cl       8.73602997       6.75551001      10.73850002       0.56911713       0.79596832       0.27381410
Cl       2.42482994       8.31246002      11.43770084       2.45662421       2.99522922       3.57857586
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.89374801 stress="-0.01792856022681017 -0.0015185043386697259 -0.00045308848636021744 -0.0015185043386697259 -0.008979799207665484 0.001759719529918134 -0.00045308848636021744 0.001759719529918134 -0.01332349656265812" free_energy=-223.89374801 pbc="T T T" config_type=melt 
Li      11.37190000      10.73129999       5.13689995      -0.74412522       0.05899517      -0.37251343
Li       9.78109002       4.65608999       1.77730001      -0.07853469       1.37058394       0.47739956
Li       1.99311003       8.03521005       4.92687995      -0.22178989       0.19608169       0.07663919
Li       4.21837002       0.15719695       5.07001998      -1.98003606      -0.60429319      -0.79534794
Li       5.15921001       5.01277000      10.23249994      -1.98945885       0.24822857       0.26903964
Li       6.48853995       0.33435195       9.59073998       0.06065558       1.16025953       0.36135262
Li       2.79301000      10.45609995       2.33532006       0.17302741      -0.80228999      -0.50616460
Li       2.89093994       6.31225004       1.16825004      -0.09201479      -0.16469803       0.40311811
Li       4.41084003       5.03781005       5.20178995       0.93082024       1.40480982       0.50444371
Li       9.30241998       7.77038999       7.12895997       0.32522372       0.91774600       0.59015677
Li       5.35639001       1.21592998       1.09805001       0.01138829      -0.11762828       0.23837426
Li       0.72648398       4.47121002      10.48320002      -0.71818697       0.12159491      -0.31241142
Li       7.19520998      10.47939995       6.72187003       0.45206569      -0.44249401      -0.49389396
Li       5.46891994       8.28635998       3.38240996      -0.05387688       0.07293588       0.11671140
Li       6.16590002       8.99519997      11.19529999       0.13369095       0.57166320       0.21335857
Li       1.85055996       2.54690997       3.72887002      -2.17722573      -0.62191690      -0.56658776
Li       8.36827994       2.79728996      11.31589998      -1.40128996      -1.11207868       2.54068817
Li       2.13508998       3.47317003       7.33598996      -0.56013171       0.17759058      -0.31223668
Li       1.02719995       7.37458997       9.47887004      -0.62782186      -0.56092339      -0.24978778
Li       6.90811999       4.35796001       7.82849005       0.35272675       0.17509955       0.30514151
Li       3.51454003      10.69360005       8.77054995       0.23550000       0.21820606       0.04662424
Li       9.36381005      10.06550000      10.06459994       1.43323303      -2.18595151       3.87170589
Li      10.27319997       4.98555999       6.13936996      -0.00168652      -0.07316210      -0.15399662
Li       5.81525000       7.11562999       7.58380998       0.00315390       0.88233780      -0.79586193
Li       0.77275805       1.38368002      11.37889998      -0.12277588       0.31732202       0.10015488
Li      11.31079998       8.22814998       1.06648999      -0.09512877       0.08098940      -0.04748018
Li      10.93160000       1.35367995       8.44443005      -1.46929186      -0.02173010      -0.41864806
Li       8.91575996       7.61260997       3.52216000      -0.32710652       0.25175046       0.03054366
Li       7.10060995       1.92063996       4.73874997       0.97440884       1.51234542      -1.65838458
Li       6.74225994       4.90426999       2.28772999       1.09405096       0.36272731      -0.11595641
Li       8.91822994       0.22600602       2.51751005       0.31090375       0.16020120      -0.86743179
Li       8.89041003       5.97901999      10.36690005       0.38246577      -0.02837559      -0.06444890
Cl       0.68412805       5.14387998       8.39120002       0.26403004       0.32923967      -0.87111811
Cl       3.01019998       3.78409002       4.62750002       0.89987752       0.98080404       0.87377099
Cl       9.47949003       5.63579997       4.01856997      -0.90626059      -3.16903177      -1.64776744
Cl       1.88989999       8.36505000       2.46632995      -0.10585768      -0.22407077       0.20096343
Cl       7.03231999       2.84718996       2.04771004      -0.61954608      -1.58561269       0.37198088
Cl       6.02342998      10.20820003       8.48604997      -2.03920375      -2.29837916      -0.70094364
Cl       1.43152998       1.78476004       8.71443001       1.27361290      -0.59748790       1.00004306
Cl       2.10867995       3.53421996       0.24494902       0.97316171      -0.60871373       0.75616019
Cl       2.86525996       7.32792003      10.68790001       0.57155667       0.38814860      -0.34911585
Cl       9.37973004       3.51947002       9.93318994       3.09711136       0.11821344      -3.35578608
Cl       5.25212995       6.26971000       2.08338000      -1.86552886       1.00151108       0.20471338
Cl       7.90792994       6.51226997       7.93129002      -1.02129673      -1.16883057       0.17800693
Cl       2.87087000       0.81699401       3.28479999       0.05325587       0.26965872      -0.09595460
Cl      11.09580001       5.92577002       0.34262503       0.84588560       0.38147051       0.47397095
Cl      10.16020000       2.65861000       1.56942005       0.51871220      -1.84667208       0.07522565
Cl       9.56949999       9.76875995       3.42773996       0.17768014       1.08691166      -0.07674600
Cl       7.87950002       3.21432000       6.16102002       0.44789954       0.72866648       0.55438112
Cl       8.20021004       6.60110003       1.06495997       0.07214430       1.23101569       0.89010927
Cl      10.39819995       7.57434003       5.42077994       2.25299966       1.78182292       1.36149291
Cl       4.79645004       5.33704003       8.18268999      -0.70895303      -1.14269555      -0.47424908
Cl      10.11460002       7.74149003       9.44868998       0.75119073       1.13741436       0.08912197
Cl       3.92774995       7.22307999       5.83062005      -0.77411959      -0.06761853      -0.37103168
Cl       4.42695996       0.16501994      10.71359995      -0.76218757       0.46223107      -0.18405401
Cl       7.66426997      11.09929994      11.18449995      -0.18300391      -0.08032318       1.91924022
Cl      10.83439998      10.76830004       0.25386399       0.97453600       0.00439967       0.04197448
Cl       0.42840501       2.28698000       5.68110004      -0.69254718      -0.10231813      -0.10826579
Cl       1.84180997      10.43080000       5.87368000       1.05216930      -0.60574260       0.53958990
Cl       8.90050995      10.82770003       8.51898994       0.13038012       2.60891896      -5.45201042
Cl       6.02063006       0.65318298       5.69092997      -0.05177593      -1.09614056       1.40580187
Cl       7.00819994       4.73112004      10.70589996      -0.35887673      -0.79680942       0.20863529
Cl       5.14928000      10.60230002       2.20815001       0.63434411      -1.16337477       0.26557578
Cl       6.64828999       8.41174000       5.33942998       0.88577714       0.51746782      -0.13801571
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.5754037 stress="-0.01794920295094597 0.0012396238056502792 -0.0016191773905080817 0.0012396238056502792 -0.014799413780086536 -0.0012732120313810537 -0.0016191773905080817 -0.0012732120313810537 -0.01373633566005409" free_energy=-224.5754037 pbc="T T T" config_type=melt 
Li      10.58440003      10.26919997       0.50675901      -0.18054277       0.21998998      -0.00243705
Li       8.70893999       5.79295003       7.30999998       0.16332625      -1.11009433      -0.31655616
Li       1.98919005       6.87596004       6.82735001       0.28605788       1.11741937      -1.37138540
Li       3.56322000       9.60233002       5.46481000      -0.62283492      -0.35846198       0.46956375
Li       7.76880999       2.78936998       6.11275999       0.01940965       0.09246628       1.36163575
Li       7.17571004      10.81809996       7.32639998      -1.88455447      -0.39173318      -0.06569944
Li       5.11183995       9.59064998       0.61342600       0.62102148      -0.23852577       0.19468167
Li       0.69667800       7.10108996       2.55064996      -0.27018742       0.49178123       0.26213891
Li       5.92613997       3.94338998       2.38379997       0.34114805      -0.57527211       0.60032315
Li      10.68839997       9.07367996       6.13553997      -0.50271448       0.81303430       0.16425596
Li       8.15521997       9.01390005       3.58796003      -0.09752443      -0.28860731      -0.06928394
Li       9.72874996       1.14064004       8.81436999       0.03235869      -0.41488083      -0.17462359
Li       6.91959000       2.70313004      10.00790002      -0.63155105      -2.65243782      -0.21002341
Li       8.50239001       5.26662000       3.26554000      -0.38097633      -0.13225271       0.30412294
Li       4.14738996       8.93143003       8.34312995       0.33550402       0.71437487       0.26421161
Li       1.76038996       0.64050898      10.60979995      -0.60063271      -0.20722271       0.40246028
Li       2.69594997       2.64326999       3.06069005      -0.38025316      -0.06891005      -0.19271902
Li       1.76622998       3.49761004       8.63063002       0.44771223      -0.19559666      -0.15107374
Li      10.38120002      11.19909994       3.99531995      -0.19437139       0.09986941       0.41775524
Li       6.94982005       0.64652303       2.28909000       0.04467260      -0.41987281       0.38482388
Li       3.97249996       1.34773996       6.75454002      -0.13939494       1.10728845       0.66833250
Li       1.47034998       7.59009000       9.86719994       0.11412908       0.11759146       0.12902081
Li       9.40967004       2.06417000       0.87448497       0.21372080       0.03276547      -0.33201185
Li       5.62553004       6.23039004      10.63879999      -0.32212567       0.18122320       0.41772892
Li       4.14825999       7.04142996       2.28600003      -0.94462690       1.11780223       1.04240296
Li       2.01387998      10.69749997       2.82339000      -1.80738968      -2.72401360       1.58603542
Li       0.22976699       4.09889995       6.04686996       2.03976547       1.10483465      -1.00423243
Li       0.78296000       4.24546997       0.85962405      -1.20473835      -0.76841947      -2.15534384
Li       5.79185003       6.49345996       5.74196998      -1.70031920      -0.40735311      -0.22856681
Li       1.04576005      11.20940002       7.66477004      -0.17031748       1.09392715       1.27197000
Li       9.38634000       4.80684997      10.04079998       0.30851043       2.36323477       0.71581413
Li       8.60825003       9.49386004       9.75637005       0.13763038      -0.44533915      -0.29176518
Cl       9.30135999       7.01903002       8.78821996       0.65434667       0.89775832       1.36780266
Cl       1.07655001      10.55189994       5.78072005       0.12882080       0.29606912      -2.00333587
Cl       2.90803995       1.51329999       9.07976004       0.63247580      -0.13435179      -0.34133516
Cl       4.30103000       7.50228003       6.73466004      -0.83256427      -0.10916650      -0.09593635
Cl       6.84696998       4.57344996      10.09420003      -0.77969874       4.34047519       0.85303817
Cl       1.47258001       4.95302000       2.48877002       1.86956137       0.23879586       2.77676895
Cl       8.52471005      11.24409999      11.07769998      -0.56749003       0.97136719       1.01296848
Cl       1.99852003       9.63031994       8.68198999       1.15781881      -1.91172117       0.98837391
Cl       3.54399005       6.55707995       0.40049098      -0.66050559       0.48944648      -2.22849679
Cl       7.24721998      10.83989997       4.23168005      -0.14473243       0.95559539       0.30474320
Cl       1.86250001       2.82630995       6.35854005       0.77280217      -0.48344195      -0.80963422
Cl       9.02008996       2.97651002       9.57375003       0.23382813      -3.00296566      -0.32448327
Cl       0.29949102       7.44440995       5.52631999       1.22892165      -2.43812937       0.24077535
Cl       5.80635005       5.95508005       2.23320003       1.92125369      -0.16920392       0.77221096
Cl       4.61848004      10.79149996       6.80573995       1.01314499       0.37755457       0.33058008
Cl       6.39246997       9.34434004       9.34295997      -0.72575608      -0.21635871       0.03906448
Cl       5.88502998       3.23028997       7.55245002      -0.00397460      -0.93852540      -0.79769294
Cl       7.33488997       3.10735999       4.16136996      -0.16926219       0.31960411      -1.62711448
Cl       3.69661000       9.06646996       3.48755002       0.05307642      -0.47366922      -1.31626605
Cl      11.16780005       0.42615297       2.07735002      -0.55124491       1.14641817      -0.20202718
Cl      10.34819998       9.06031995       3.72791000      -0.84202413      -0.00091371      -0.49769965
Cl       7.68096998       6.35333000       5.59104995       2.13652236       0.32188837      -1.37466420
Cl      11.02569995      11.04050000       9.57583997       1.12889234       0.11707401       0.46804320
Cl       9.16181001      10.99860000       7.11814996       1.04965781       0.16831006      -0.39721195
Cl       6.18086997       2.35561997       1.07296995       0.13653217      -0.97640084      -0.81085623
Cl       9.96055002       3.74857999       6.65976998      -2.81305015      -0.44308763       0.60106296
Cl       1.80596999       5.74983998       8.41794000      -0.24349085      -0.56866678       1.64430204
Cl       0.44618898       3.32946001      10.33659996       0.01201873      -0.08357707       0.89576706
Cl       2.88393000       0.53948598       1.83138997       2.03131858       3.02915822      -1.78076217
Cl       0.86449396       8.98242005       1.16693004       0.40317717      -0.61679315      -0.56866966
Cl       7.28441996       8.89665004       1.58979998      -0.75571570      -0.07776184      -0.81274918
Cl       9.95378999       4.75056999       1.60912005      -0.54457164      -0.29338954      -0.39812220
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.0565404 stress="-0.0120676597816949 -0.0006085407671928001 0.0009749645449326483 -0.0006085407671928001 -0.0072254653573834 0.004000586849656769 0.0009749645449326483 0.004000586849656769 -0.004455883319802342" free_energy=-226.0565404 pbc="T T T" config_type=melt 
Li       8.59703005       1.42904005       8.61437998       0.14749465       0.61593264      -0.34969476
Li       5.06271998       7.34485002       7.07219000       1.07195762      -0.29148265       0.57584280
Li       8.02981003      10.26860004       0.52080895      -0.14290152       0.04328453       0.74350433
Li      11.28880002      10.22790001       6.34918004       0.09866542      -0.24293628       0.16031821
Li       9.17008000       7.50510002       5.11702994       0.54182907      -0.00717472      -0.20006239
Li      11.34240000       4.90839999       9.90582998       1.49325019      -0.31806469       1.22458925
Li       2.43791997       7.48637999       3.45894997       0.15771500      -0.33882004       0.18562486
Li       3.32078006      11.16900002       8.03368003       1.03059341       0.03858113      -0.09405714
Li      11.39850883       1.72284995       6.38039006       1.92416401       1.20934275      -0.30044742
Li       6.18573999       0.31758899       6.11148000       0.55368023       1.18780873       0.69278422
Li       9.18058002       2.48718004       0.85009196       0.42717641      -0.14030877       0.30542473
Li      10.23810001       7.97473001       1.81055995       1.59142129      -1.05469238      -0.41234584
Li       2.80330997       0.17729498       4.22906000      -0.15563946       0.02908162      -0.00357314
Li       2.88001999       3.60639001       5.33515002      -1.04468143      -0.08474826      -0.17400772
Li       0.43302397       3.96338001       2.86387003       0.04140756      -0.23190281      -0.11853243
Li       4.42966003       9.17255995      11.03189995      -1.22515808      -1.58258565      -0.14427284
Li      10.77750001       4.71807002       6.08759005      -0.18783857      -0.05560300       0.47464056
Li       8.20510999       9.21773999       8.37041001      -0.43950294      -0.24161689      -0.27770561
Li       5.73423996       0.97805706       2.67936998       0.05590195       0.20618904      -0.06846944
Li       2.44903001       1.42509004       0.86292897      -0.47721090       2.05437746       1.43213644
Li       0.81243501      10.16440006      11.06939996       0.99298462       0.16145737      -0.92841803
Li       5.81872998       1.13611004      10.81790002       0.12822045       1.61163335      -0.29491400
Li      11.18519996      10.86160002       2.40959999       0.35263150       0.63828336       1.09009794
Li       8.40882005       5.63104997      10.45550002       0.36237394      -0.42605490      -0.33629228
Li       9.36343001       1.02653996       4.42193001      -0.55961095      -0.33487421      -0.01224649
Li       6.44159005       8.21630005       3.14582001      -0.50135065       0.20856642       0.69402243
Li       6.54611998       4.96026004       3.52334001      -0.40889509      -0.30786079       0.38681452
Li       4.44572997       4.18304995       1.16316999      -0.67261684      -0.04704299       0.41779436
Li       1.43984995       7.58138001       7.58477000      -0.43739483       0.13035636       0.15761293
Li       2.22015999       2.42094000       8.51334998      -0.24408088      -0.11502305      -0.38559172
Li       6.36660002       3.69917994       7.34441002       0.09499471      -0.24106567      -0.61024649
Li       3.57883997       5.50425996       9.98364997       0.17946802       0.03364281      -0.62801675
Cl       8.05606999       1.98265002       6.13699995      -0.93269199       0.32606158      -0.50169731
Cl       3.13738998       7.49520004       6.37859005      -0.13231073       0.07673622      -1.60733424
Cl       5.74921999      10.61310006      11.10590005       2.18045026       0.42060648       1.69409478
Cl       4.90224001       3.79882999       5.19803001       1.65085058       0.13640203       0.16161149
Cl      10.44630005       6.08166004       0.19616197      -0.20234478       0.26136020       0.86676237
Cl       1.35379998      10.76660000       7.99169004       0.01253734      -2.10987265       1.31122635
Cl       7.39809002       6.08628003       5.21622004       0.01967245       0.55524230       0.01372430
Cl       8.06370005       0.98008704       2.13222999       1.16935330      -1.49945384       0.64647581
Cl      10.92430000       7.98634000       6.75025995      -0.89534162       0.15278147       0.11338273
Cl      10.84200000       2.62449001       4.67965000      -0.10615834       0.11155630      -1.70600736
Cl      11.00360003       5.62923999       4.11935005      -0.21185868       1.32793229      -0.49065408
Cl      10.51249997       9.90544994       0.66944804      -0.87553244      -0.05557747      -0.94973273
Cl       5.90476998       8.69060999       8.89882000       0.56843058      -0.21704759      -0.78359331
Cl       2.45454994       1.37543996       6.39194995       1.83693810      -1.06410864      -1.23386355
Cl       5.80003002       5.36237001       8.69978004      -0.30875932      -0.04270429       0.46577343
Cl       8.62307999       3.10449002      10.33610000      -0.15238768      -0.40606901      -0.22105373
Cl       2.61186004       3.44167995      10.37489994       0.36669048       0.26639507       0.64449858
Cl       9.93884000       5.41333997       8.66273998      -1.54661182       0.61172600      -2.26148031
Cl       0.29834299       1.97756000       1.33751004      -0.77885541      -0.11284361       0.12385186
Cl       3.56841000       1.84693003       2.81793999       0.06789162      -1.30008575       0.34766073
Cl       2.59890002       4.71262001       2.70054003       0.04965339       0.92246674      -0.09718805
Cl       1.76037999       9.74488995       3.14700003       0.19972599       0.05455555      -0.04388556
Cl       2.72082998      11.40900002      11.14919994       0.26194777      -2.25679405      -1.72172349
Cl       4.98319995       7.27112002       1.76631000      -0.33674237      -0.23711556      -0.19433326
Cl       6.39657005       0.94140701       8.49575999      -0.91002150      -0.12294356       0.21645912
Cl       6.15349006       2.73633003       1.19073000      -0.89936563       1.41539052      -0.75607047
Cl       1.18214004       3.70893994       6.99383004      -0.55694966       1.87537141       0.82929927
Cl      10.42869998       0.58927500       7.55317995      -2.48280596      -1.34460139       2.03046972
Cl       2.16274997       7.16678006       9.55370003       0.15682316       0.05634718       1.17190135
Cl      10.05190004      10.12080002       4.48392001      -0.16638816       0.63688889      -0.53102629
Cl       8.34690995       8.28978998       2.25088999      -1.52084624       0.21074225       0.02228390
Cl       6.17747001      10.03670001       5.04561000      -0.27404062      -0.75602492      -0.76214513
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.53188715 stress="-0.01638794029892263 -0.0003465583961166237 0.0036737085559649684 -0.0003465583961166237 -0.008192947899492906 -0.004214710932823519 0.0036737085559649684 -0.004214710932823519 -0.017234271397751758" free_energy=-224.53188715 pbc="T T T" config_type=melt 
Li       8.41229005       8.76754998       1.66223005       1.11009607       1.36702293      -0.77789829
Li       4.32135995       7.22268997       5.54807002       0.81955920       0.47785041      -1.00805438
Li      11.09489995       6.50723005      10.79890004      -0.56314283       1.61091694       0.47380872
Li      10.83409996       2.76855004       9.83775004       0.01550848      -0.91098947       0.16119221
Li      10.39159996       4.24867000       3.66456000       1.00956668      -0.37586471      -1.06213480
Li       9.63488995      10.12300002       9.33820997      -0.06210906       0.24448452      -0.11910839
Li       0.85659301       9.95465005       5.72660005      -0.12727017      -1.08362302      -0.79498393
Li       3.75033998       9.95735000       3.32433994      -0.49229049       0.63392158       1.08664637
Li       1.68071998       9.07820996       9.71843004       0.86477337       0.35644464       0.15828992
Li       7.58419002       5.46897004       8.29567001      -0.47219016       0.43135320      -0.77233817
Li       5.74090999      11.10260005       0.63645201      -0.64137559       0.53067376       0.48844947
Li       8.72803994       4.99729001       0.95903495       1.68415204      -0.04331478      -0.38504919
Li       6.60294005       1.90026003       3.46284003      -1.05235157       0.91608073       0.83664163
Li      10.83980000       6.86554005       7.66130003      -0.54128496      -0.83346574      -1.15680747
Li       0.78895697       1.35242003       3.19085996      -0.60750041       0.10781383      -0.20085608
Li       5.84412004       3.98559996      11.21509995      -0.42590074      -0.16751858       0.06502027
Li       1.64422998       1.41566995       7.14697001       0.05914778       0.61947544       0.14068987
Li       9.17961003       0.74259496       5.73536999       0.68414455       0.03618352      -0.05065519
Li       1.51255000       4.27157999       0.70013195       0.63404826       0.09495684      -0.97940656
Li       8.52988995       1.03336006       0.36734397      -1.03656459      -0.21156418      -1.08738409
Li       3.34978996       3.18942004       3.04430003       0.47910277       0.25837052       0.21098281
Li       4.15844004       4.22265995       7.34880004      -0.82578603       0.54415664      -0.08693356
Li       1.29697006       5.31964997       6.00381001       0.81691000      -0.74917366      -0.08132396
Li       5.50301001       6.17669995       2.49594001      -0.48425375       1.47451502       0.20546606
Li       7.07777001       9.65628998       4.90399003       1.40065148      -0.14170296      -0.46374462
Li       4.45121998       8.01796995      11.44131828      -0.08861522       0.19139392      -0.39218680
Li       7.01706000       1.77234996       8.47988001      -0.02537500       0.05396176       0.31907610
Li       6.03243001       9.89408001       8.36184997      -0.10846226      -0.40502526       0.25180307
Li       0.33084995       9.30534005       1.91547003      -0.38186757       1.16473269       1.64189297
Li       2.89096998       0.86154397      10.97979996       0.07045627       0.24299013       0.08678683
Li       2.02416000       6.65297005       2.84554999      -0.01598948      -0.13190034      -0.10119957
Li       9.34158001       7.04342005       4.70906998      -0.27615027       0.01209073      -0.76839857
Cl       9.07462003       4.67476003       5.11032002      -1.33836936       0.46566192       1.21802225
Cl       3.05462006       6.44815003       6.88868998      -0.71356052      -0.51135005       1.59026064
Cl      11.37389995       8.23052000       8.99422998      -1.16457241       0.45420575      -0.27421684
Cl       5.08320997       9.24770005       4.79620998      -0.87560764      -0.49954002       0.84270117
Cl       7.55141995       8.02798996       7.76599998      -0.01567738       0.34646542      -0.18924917
Cl       5.99274996       3.88992997       8.23012001       1.00639710       0.17560541       0.02629118
Cl       8.58464003       5.49737005      10.09329997       0.59186192       0.12586759       0.57426078
Cl       0.45198005      11.03500001       7.31334996      -0.25775700       0.36938328       1.59234322
Cl       7.68497996       0.83657305       2.25211002      -0.22131386      -1.32494246       0.37516417
Cl       1.65318003       9.66463001       3.83870998      -0.04172030      -2.25364687       1.51917537
Cl       7.36437999       7.64192998       2.81610995      -1.87627649      -0.64668918       1.80228628
Cl       7.46685999      10.81420004      10.93649994       0.92197330      -2.07677695      -1.03607627
Cl       1.31263003       4.00893000       2.72302000      -0.09408280      -0.51157654       1.23745122
Cl       3.89874004       9.59741998       9.61879995       0.35152307       0.07300697      -0.41844013
Cl       7.08217997       0.29439904       5.71607996      -0.42774398       0.49900729       0.58207951
Cl       9.54720999       9.39698000       3.67386005       0.70703660       0.60169483       0.36558554
Cl      10.22640003       1.72885998       0.99258895       2.50580661       1.37691849       0.15024493
Cl       9.36018000       1.13507000       9.01171003      -0.35848913       0.08393117      -0.47657875
Cl       1.78149994       2.39447001       9.42010001       0.34200747      -0.91763519      -0.25762058
Cl       3.82582997       5.97096003       0.25093796      -0.49127905      -0.41364014       0.08648594
Cl       0.81608799       8.38447003       0.22340695       0.61473933      -0.74668899      -0.12840452
Cl      10.61589998       6.15909001       2.10470001      -0.47712202       0.09165678      -0.16737732
Cl       4.01925003       9.60109004       1.41847996       1.54463659      -0.56183118      -1.74454707
Cl      11.03139999       1.81532003       5.12162999       0.27171135       0.28568957      -0.36820386
Cl       0.03271986       6.93360004       5.41956003      -0.06086527       0.39131905       0.41234362
Cl       5.43400995       1.63498002      10.29920004       0.08220118      -0.66038332      -1.08939330
Cl       4.78306996       2.50868003       1.40366995      -0.74271420       0.13439198       1.83796045
Cl       4.07202000       5.62765001       3.82648997      -0.97201104      -0.07826497       0.67451358
Cl       2.98646996       3.10564997       5.93895004      -0.57442048      -0.64238390      -0.52641086
Cl       0.12776103       4.60276997      10.58670000       0.32553025      -0.22931713      -0.34551152
Cl       6.81841005       5.28807001       1.41078995       0.27062427      -2.34744268      -1.47937776
Cl       1.76766004      11.34375210       1.87740002      -0.25210293       2.63205703      -2.22404459
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.24203252 stress="-0.014644543638568618 1.5711544952784774e-05 0.0010050375527237254 1.5711544952784774e-05 -0.03094695709967509 -0.0015724008372697885 0.0010050375527237254 -0.0015724008372697885 -0.015530890250773532" free_energy=-222.24203252 pbc="T T T" config_type=melt 
Li       8.51154000      10.51059999       3.87326997       1.03602785      -4.04123361       0.71769147
Li       2.77454999      11.40460003       5.44687998      -1.12125372       0.95936589      -2.41875984
Li       6.75282003       1.40672999      10.90769995       2.81231554      -0.96350476      -1.77217153
Li       9.33675997       3.54853999       7.49471006       0.49990411       0.50004319       0.81416491
Li       5.75334002       8.46864995       4.75903005      -0.34547983      -0.25964700      -0.01871435
Li       9.67607996       3.87205005      11.01850004       0.25498985       1.46568063       1.06747900
Li       1.72190002       9.54101997       7.87990001      -0.21714770       0.75929768      -0.87308598
Li       1.32577005       9.07741996       0.23431991       0.66308699       0.81181293      -0.63808850
Li      10.75029997       0.24748698       6.21881994      -1.08374542       0.21608750      -0.83226357
Li       5.24054002       6.62211004       1.05967998       3.46138027       2.65532971       0.75201712
Li       2.83272995       7.84683003       3.22970002      -0.01989233      -1.15248339      -0.56196526
Li       0.63124000       1.97280003       8.98750996      -0.21746410       0.60250446       0.48554271
Li       2.59085003       5.97849000      10.22460002      -0.00593136       1.02306685       2.00060651
Li       4.06941004       6.61827994       7.36068001      -0.14009228       0.35223698       0.28285344
Li       5.41290994       9.79854003      10.41559997       0.51651909      -1.77385624      -0.41848343
Li       9.88265001      10.25110005      10.50870002       0.03636233       0.06830427      -0.48300797
Li       4.08433000       0.18106695       1.69970001       0.51609727      -0.11097116      -0.39078059
Li       5.47874999       4.06642004       6.33887996       0.54657938       0.08843182      -0.26418725
Li       2.14116995       3.95440004       6.22628995      -0.52797610       0.09850348       0.42328022
Li       3.80317002       3.17849000      10.18240001       0.46871741       0.26227084       0.35330649
Li       8.23538005       9.77908996       7.38993995       0.95923341      -0.33730688       0.62337021
Li       0.94288900       5.23355002       2.14946000      -0.70557301       2.11509693      -2.05229608
Li       9.36708001       6.73283997       1.49484995       0.92958544      -0.67767245      -0.26006885
Li      10.91410000       7.85022999       5.18988006      -0.25254478       0.31685810       0.72137539
Li       2.95269997       2.79327998       3.21225001       2.36951599       2.78334948      -0.68439098
Li       7.03092994       2.80949002       2.31492006      -0.31110025      -0.41592920       0.15421684
Li       6.64636995       1.24770999       5.33986001      -0.47413967      -0.80579049      -0.93125252
Li      10.81729998       6.67976001       8.42875001       0.06791221      -0.32897889       0.16727843
Li       4.11271006       0.96740995       8.16132997       0.23062957       0.31245048       0.21368339
Li       8.78362004       5.57437000       4.53616995       0.42025420       0.36298876      -0.03918952
Li       7.05047998       6.88525001       9.05577001       0.03058684       0.14674121       0.21730883
Li       0.54458598       0.04159883       2.66517995       0.26259489      -0.10761126       0.40946954
Cl      10.33540000      10.49239999       7.78903000      -0.75997246      -0.35704333       1.73008410
Cl      10.94909999       6.66143000       3.45731000      -0.45725720      -0.56132181      -0.35091358
Cl       4.56249996       6.38726003       4.69680997      -0.65256107       0.25030990      -0.77686260
Cl       1.72357002       3.14758001      10.80190001      -0.63103404      -0.52597373      -0.08648839
Cl       4.01284998       9.62872996       0.52401298      -1.01220087       0.28756583       1.61660570
Cl       5.07725004       2.16452005       3.45862003       2.42583149       1.32263053       1.82305974
Cl       7.77548002       7.74189002       2.25861004      -1.36289365       0.66046549       0.63314471
Cl       8.06262000       0.76360004       3.55601998      -0.45318922       3.85942252      -1.40370720
Cl      11.38208774      10.03120002       5.06368997       0.06141789      -0.10065888      -1.73974478
Cl       0.89739094       8.35349996       9.21945000      -0.66585353      -0.79531224       1.00165781
Cl       8.00518005       9.35068999       9.48575996      -0.87703635      -0.54158471       1.18685894
Cl       0.89008705       1.09430004       7.02722996       1.64846565       1.68182733      -0.03344729
Cl       3.84655006       5.58864005       0.61480997      -2.97977192      -3.29377498      -0.01826855
Cl       9.26478997       2.13099999      10.27670002      -0.36430387      -2.46374655      -1.03595628
Cl      11.08930000      10.20329996       1.09132002      -0.36166990       0.43121048      -0.09900716
Cl       3.28130006      10.76409999       7.15506001       1.95727852      -1.31107166       2.34427665
Cl       1.05135003       7.11733003       0.61177594      -0.37081570      -1.76384784       0.73032058
Cl       5.28741001       0.28414700       9.93438005      -0.55154109       0.70376814      -1.58107250
Cl       2.79468000       0.99899095       3.25084004      -3.68996059      -5.21147470      -0.12975728
Cl       4.63589004       7.49411001       9.87255995       0.93141253       0.42570591      -0.88473079
Cl       4.08728996       3.23035004       7.80916998       0.46892489      -1.69833190      -0.46610942
Cl      11.44419994       4.34660006       7.10880003      -0.68235232      -0.17530581      -0.18995841
Cl       8.94105005       5.43535998       9.69847004       0.03910700       0.66316715      -0.16441262
Cl       9.34074002       7.11918002       6.79236997      -0.12489431       0.15392817      -0.95597992
Cl       7.87771996       2.55186999       6.34642999      -0.21247036       0.72250667       0.25184590
Cl       3.07372998       9.55387005       4.27774995       0.71345543      -0.11659153       0.02737908
Cl       8.62952005       4.14627999       1.72396003       0.61469699       0.77601935       0.25818983
Cl       1.47242995       3.96321000       3.43128001      -0.98498774      -0.36404869       2.64111819
Cl       2.48934002       5.44287001       8.36281997      -0.57053485       0.44833274      -2.04745891
Cl       5.60083999       2.33862005       0.55733804      -1.95858320       2.06528668       1.56405454
Cl       7.07108003      10.07429999       5.73114999      -0.92187999       0.09160458      -0.88740819
Cl       6.11847000       6.00205001       7.19237005       1.12522173      -0.18909900       0.27774981
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.04761359 stress="-0.017755227794920524 0.008660419899943156 -0.0013709986349090535 0.008660419899943156 -0.015784672377363904 -0.003719168200709773 -0.0013709986349090535 -0.003719168200709773 -0.012052664712057693" free_energy=-223.04761359 pbc="T T T" config_type=melt 
Li       5.46644997       5.07907997       3.67798994      -3.20297715       0.78261511      -0.64924968
Li       0.89687895      10.00760000      11.23700005      -1.25789693       0.00208274       0.58176338
Li       4.31791001       9.21664997      10.05619995       1.47221523      -1.54768460      -1.40253794
Li       9.30567996       5.53836998       3.61140999      -0.15699807       0.44096816      -0.21104342
Li       7.98748998       3.01995998       8.62777003       1.64091362       0.25726282      -3.44681440
Li       8.74336001       6.34454996      10.61320002      -0.71359968       0.42140333       0.44157686
Li       0.64748798       6.00227001      10.20160004       0.11399810       0.21466511       0.36014215
Li       9.53639998       2.46732001       0.03028851       0.28490202      -0.09352519       0.48009605
Li       1.24694005       3.06674995       7.72330000      -1.57039975      -0.04974269       1.18049354
Li       3.59858994       5.65393004       7.12701001      -1.44879348      -0.06106902      -0.73629478
Li       9.58980002      10.31090003       9.14928001      -0.50283008      -0.63306657       0.14291029
Li       2.31756005      11.29669994       8.75042005       0.38744063      -0.44651756      -0.15594223
Li       4.15965995      11.22369999       1.52467003       0.11872717      -2.20662676       0.71770744
Li       7.21981003       6.71202004       7.23654994      -0.08087763       1.17083049      -0.05272889
Li       6.93681004      11.14439996       6.94658001      -0.76067192      -1.03287382      -0.45888060
Li       9.04087997       8.70052005       5.01843003      -3.32865686       2.95131257      -0.35160628
Li       7.65260002       2.92908997       5.51711005       0.18402719       0.45144635      -0.12975165
Li       1.31633999       4.92155996       3.51657999       0.38136046      -0.03306064       0.39920607
Li      10.57640003       5.53541002       6.64661999       0.26805231      -0.00605664       0.50097549
Li       3.94659000       0.92602894       5.78888995      -0.46343985      -0.47287660       0.53483688
Li      10.71550004       0.88246204       5.93712000      -0.10537586      -0.09501834      -0.09961113
Li       3.47973998       7.56552996       2.04593996      -0.70720513      -0.43576621      -0.31778891
Li       6.70593996       3.06524997       1.06477998      -0.49075107       0.98660353       0.11323289
Li       8.16022997       0.40056997       2.88999999      -1.18505358       1.63794697       0.18239087
Li       5.09483005       1.79844002       9.48136994      -0.25960380      -0.51419597      -0.05285402
Li       6.95854001       9.54778997       0.57584804       0.13315702       0.63871975       0.68066255
Li       4.90779995       9.19299996       4.47245997      -0.01264113       0.44389356       0.14383914
Li       3.27368995       3.38620005       1.26519004      -0.70636921       2.01653285      -0.62963833
Li       1.29564994       8.92585002       5.19583999      -0.28357365      -0.06759181      -0.05019723
Li      10.55640002       8.67956003       1.82250997      -0.26519454      -0.31520993       0.41773372
Li       5.33665001       6.09130998      10.30260000      -0.27711613       0.14858890      -0.02198325
Li       0.70086796       1.10195004       2.90778005       0.20343101      -0.56819184       0.66119242
Cl       7.83009000       3.42803000      10.38429997      -0.30661244       1.24711762       3.46994068
Cl       9.88274998       6.02213004       0.94984106       0.31309476      -0.66716279       1.47768482
Cl       2.92094999       2.03833994       8.14100002       1.68144494      -0.76213699       0.64909787
Cl       4.63802997      10.55249999       7.38552001      -0.02669388       0.17905417       0.20495475
Cl       0.15608698      10.65169994       8.85381995       0.00097752       1.03773155      -0.33458545
Cl       1.26712005       8.44241004       1.79568000       0.26421332       0.14127306       0.32987447
Cl       4.62641000      10.83830002      11.06050001       1.44765628       2.53051221      -1.22076443
Cl       1.73690997      11.12670003       5.09058999      -0.33519358       0.59156668      -0.19737380
Cl       5.38375995       0.58384197       4.24496004       0.90998316      -0.07456284       0.08204824
Cl       7.20426997       4.73967995       3.93216003       3.63073058      -1.79005644      -0.68065071
Cl      10.35739995       7.44690997       5.08052997       3.38133127      -2.91642286      -0.43498984
Cl       5.31147995       6.26162000       7.97842002       0.28672054      -0.28769933       1.17879090
Cl       3.55421997       5.54873002       3.12158005      -1.66720041      -0.17710824      -0.02314507
Cl       9.67549001       9.12233001      11.40879997       0.13889755       0.95724353      -1.30796493
Cl       2.83798001       5.31814999      10.77029998      -0.76981440       0.02860666      -0.48661746
Cl       7.23682004       1.07501002       0.92535404       0.86012496      -0.99864179      -0.00588002
Cl       8.40425004       5.31252997       6.37941995       0.28595689      -0.98096080       0.36150612
Cl      10.07240001       1.50701000       3.54233002      -0.31867397       1.10081216       1.21576956
Cl      10.14590003       6.34431999       9.08360001       0.95363660       0.07761425      -0.99820535
Cl       1.29822998       3.90377000       5.95307002       0.62333276       1.34981821      -2.63695027
Cl       4.67657001       9.31117995       2.08940001       0.98491318      -1.26611608       1.26903575
Cl       3.92664995       1.57243000       1.57850996      -0.21448099       2.69626034       0.52130372
Cl       9.18331001      10.23850000       2.86265000       0.71246591      -3.02939235       0.37400261
Cl      10.29179996       3.26022997       7.51129004      -0.02422476      -1.40368025       0.66340837
Cl       2.34769001       9.17091999      10.13779994      -0.45930124      -1.48670244      -0.83870673
Cl       6.85214002       8.27988003      10.37830002      -0.68581694      -1.15851915      -0.87376573
Cl       5.49372005       4.97481005       0.75587197       0.77412621      -0.34582361       0.23307884
Cl       7.04901003       1.73717995       7.38190005      -1.01221877       0.19805744      -0.25512100
Cl       8.99989998      10.49730005       6.47739002       0.47487387       0.31270808       0.49940480
Cl       0.69465295       2.51739999       1.35590998       0.00266678       0.88153251      -0.87200858
Cl       2.46490998       7.21973001       5.85162994       0.19699292      -0.01068931       0.12001917
Cl       6.54544003       8.12663998       5.47175999       0.48789212       0.03996875      -0.25502826
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.93729357 stress="-0.029989459080989732 -0.004538053711187945 0.0009665584991664361 -0.004538053711187945 -0.01687888301384456 -0.0006558498147821682 0.0009665584991664361 -0.0006558498147821682 -0.016168902818632366" free_energy=-224.93729357 pbc="T T T" config_type=melt 
Li       6.79877999       0.70082600       2.56084996       0.06364607       0.51333464      -0.26937729
Li      10.04769999       2.46515005       0.88314096       0.83883903      -0.36902251      -0.54650572
Li       5.06830996       9.59213002       1.16627004      -0.60940122       0.78722548       2.04151795
Li       3.48443999       0.88789004       9.29019998      -2.13958754      -1.45451335      -2.87189556
Li       7.13237002       1.90599996       6.42750997       1.88111010      -0.27612390      -0.24142967
Li       3.81241998       8.89486001       9.16973000       1.13995750       0.18132689       0.69257152
Li       1.43162995       5.52494003      11.24599997       0.16928410       0.05715582       0.27716746
Li       9.66709002      10.28259999       1.23108002      -0.08876401       0.34052002      -0.06815662
Li       8.88207997       9.84682998       5.31685005       1.10077714       0.62294938       0.51600228
Li       1.90665996       4.43183996       4.33884997      -0.28360659       0.43855442       0.76407093
Li       7.72184003       4.51453995       2.72922997      -1.73407173      -1.71877828       0.35360531
Li      10.63009998       1.51222005       4.47372998       0.08814417      -0.21891637       0.01705640
Li       5.10046005       9.94328000       4.61862002       0.59339649      -0.75136582       0.94572997
Li       2.76693002       6.61056999       7.06907000       0.34312995       0.17232353       0.19317437
Li       4.29132996       3.65162003       8.33036000      -0.12157909       0.39104457      -0.41726125
Li       7.63132002      11.04810001      10.00049994      -0.34864593       0.01142399       0.33150136
Li      10.85570004       5.85900996       2.43477005       1.49961573      -0.01589650       0.16527423
Li       5.31868995       4.02312003       4.73529005      -0.21167615      -0.14791321       0.02979914
Li       3.85039002       3.38934001       1.13024996       0.05477526       0.11626625      -0.56005506
Li       2.13517000      11.22299999       6.49766998       0.22730958       0.18274699       2.33629994
Li      10.55549996       8.43485004       8.38400997       0.18087855      -0.17528635       0.30323220
Li       8.13648000       7.93656003       3.07200002      -0.03973603       0.56272257      -1.15925043
Li       8.38140998       5.35986999      10.41859995       0.63962178       0.10541090      -0.34105865
Li       6.50711002       3.05319000       0.16051987       0.48643596      -3.16032499       0.27588262
Li       3.50272999       6.61039997       2.52736005      -1.00354615      -0.82566735       0.30321195
Li       5.55118005       6.85185995      11.38399998      -0.36136185       0.60296096      -0.01718101
Li       0.51667195       4.05670005       8.10233994       2.02231794       0.82270838       0.85416500
Li       1.73905998       0.46025794       2.67615001       0.80515705       0.03923569       0.46338892
Li       7.15154999       7.61936003       7.70088997      -0.07332684      -0.11242418       0.19535361
Li      10.34050000       0.92858605       8.02941004       0.18792739      -0.19131198       0.01084705
Li       9.46209000       4.65903001       5.83353002       0.90161654       0.16247505       0.41610185
Li       0.68584001       9.06206997       4.00333005       0.11284869      -0.31011623       0.02519577
Cl       8.14121004       9.71189002       8.36378996      -0.20548326      -0.20332158      -0.29910178
Cl       4.98907998       6.28179002       7.73384003       0.92691485       0.12442518       0.34237956
Cl       7.64095999       4.00013002       5.18497002      -0.76870115       0.00425848      -0.46642283
Cl       5.16778002       7.60856996       2.06231003       1.98783912       0.71503631       1.31076841
Cl       5.79080001       3.28361997       2.22133003      -0.52081528      -1.30785852       0.41113742
Cl       5.26667996       2.49722997       6.61000996      -1.81088963       0.06998396       0.28185301
Cl       5.67667001       9.10061002      10.87950000      -0.33434534      -0.92520521      -3.98438588
Cl       6.41650002       4.90017999      11.28870005       1.10148900       2.44130182      -1.52153333
Cl       1.34619997      11.07430002       4.72083004      -0.78063506       0.31933559      -2.02413316
Cl      11.43366622       0.18479101       1.63445003      -0.59140426       0.61953552      -0.88684460
Cl      11.07417311       4.51950995       0.74135796       0.08064238      -0.36363574      -0.71501996
Cl       3.62960999       5.79225002       0.46805904      -1.63977374      -0.79544878      -1.69005451
Cl       9.19083998       6.53059998       8.58776003      -1.01822511      -0.37073035      -0.46972585
Cl       1.49304994       6.88768995       3.42464999      -0.71952872       0.35648668       0.34123112
Cl       8.33435003       2.61221005       2.04580995       1.78531911      -1.68849776       0.15342222
Cl       8.83986998       1.51491003      10.26830002       0.05101565      -0.01036182      -0.17851196
Cl       3.85016004      10.73270001       7.77843998       2.11434617       1.45400254      -0.15462569
Cl       2.36755004       8.50907999       7.84571994      -2.04961728      -1.46419030      -1.10611770
Cl       2.58857999       4.55668998       6.57195004      -0.72957809      -0.64164387      -0.02551794
Cl       0.18701990       3.31869000       3.83364999      -0.62341995      -0.08549882      -0.08672529
Cl       8.85701997       6.03871003       2.73821005       0.53032637       1.37858771       0.01631918
Cl       4.54538001       1.47765995      10.65339998       2.39965476       1.92627818       3.18757853
Cl       8.99564995       0.60871498       5.73963000      -0.72878666       0.17683073      -0.31889911
Cl       7.31962998       8.61494998       4.77722994      -1.94532527       0.08930743       1.48993581
Cl      10.47050000       3.19924997       7.25187001      -1.93426834      -0.59127064      -0.88336627
Cl       1.66100004       1.65394997       8.33455994      -0.31646599       0.52506429       0.17926479
Cl       3.51291004       4.29789005       3.04418997      -1.24312272       0.41983345       1.72736191
Cl       4.10477998      10.71429996       3.01120999      -0.23783373       0.94431738      -0.92067761
Cl       7.32537003      10.34089998       1.31049997       1.08511397       0.82400932       0.80110789
Cl      11.20299998      10.23110004       7.23455997      -0.26566501       0.08672534       0.12969290
Cl       0.56009600       6.70544997       9.74122000       0.09523871      -0.06688135      -0.25132726
Cl      10.12700002       9.10596005       3.01076001      -0.01550138      -0.34349968       0.59195946
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.79655909 stress="-0.018131790173978802 -0.0005077223006748296 0.0015667667642950544 -0.0005077223006748296 -0.024454121868559477 0.00305854901786868 0.0015667667642950544 0.00305854901786868 -0.01887253147215566" free_energy=-220.79655909 pbc="T T T" config_type=melt 
Li       7.92075996       0.16978805       3.23710996       0.99977978       0.45872812      -0.76212958
Li       4.99962001      11.10469996       1.30358999       0.76522588      -0.31488213      -0.49925880
Li       4.55904004       5.86598001      11.12689997       0.20293978       0.08198899      -0.03591143
Li       8.15855997       5.14807006       8.98941005       0.50880741       0.44170158       1.59981628
Li      11.33220000       4.17502002       7.17651999       0.41824625       0.28599149      -0.04084852
Li       2.21845995       5.41544000       8.77100004       0.04593213      -0.22255648       1.52300922
Li       2.59903002       9.71197004       3.17585000       0.10387491      -0.33675022       0.66163061
Li      10.39369999       7.76612998       9.03419996       2.16954432      -2.99687123      -1.08409802
Li       7.03485004      11.16460003       7.69709002       0.71794677       0.53481956       0.47938491
Li       4.62825002       2.67403003       2.68797002      -0.38935576      -0.19198464      -0.93270012
Li      11.18570003       3.68720998      10.33530003      -0.40316795       0.39011358       0.50178386
Li       2.24137005       4.70338003       4.18532996       0.64392565       0.25000628      -0.25805157
Li       3.49907002       8.67973004       6.83148001       0.20074515       0.07792875       0.18556073
Li       2.40977998       9.17129005      10.65830004      -0.43942034       0.39771837      -0.13754060
Li       4.99922999       3.63207000       7.17929997       1.03134493       2.33910632      -0.14682762
Li       4.08327999       2.39135000      10.51759997       0.15936123       0.65469737      -0.54813265
Li      10.09689998       9.38887005       3.57813996      -0.59494216       0.69752719       0.94777492
Li      10.68699995       3.19562004       2.12419995       0.47220302       0.48307619      -0.25026708
Li       1.17497005       0.54700299       0.95306504      -0.10078198      -0.22114668      -0.05773484
Li       4.31343997       0.58252804       5.09212999       0.19381693      -0.21030001       0.61363472
Li       6.46056997       8.50954005      10.08239996       0.41943922      -0.02798185       0.39065951
Li       8.09041996       3.06484000       0.27428302      -1.07332294       0.38689598       0.22007873
Li       8.23965003       6.58194001       1.33154002       0.59199400       0.66483744       0.68892890
Li       9.91168995      11.08420000      10.45000004      -0.07467166       0.15090791       0.06693188
Li       5.83419002       5.60338999       3.91413004      -3.14273015      -2.63493374      -0.67992765
Li       1.00103996       7.51731005       1.18223004       0.78016921      -0.89343386      -0.77769628
Li       0.72277505       7.52837996       5.92387004       1.41803981      -0.39143009      -0.57013076
Li       6.32999996       8.98565997       4.38680999      -0.34004187      -0.61718970       0.25225019
Li       9.02841004       3.86178001       5.10367004       0.08436549       0.73965569       0.92493267
Li       2.55493003       0.40482196       8.06094999      -0.07966982       5.03099431      -1.71213813
Li       8.16540002       7.31601002       6.63082003       0.23111436      -0.02757256      -1.08198396
Li      10.20689998       0.44285299       6.56897999       1.11531587      -0.53996964      -1.37389629
Cl       7.51523994       7.22431997       8.57445998      -1.06468309       0.36485395       0.73614308
Cl       6.96837005       6.96941995       4.30626001       3.59230965       2.16214358       0.78784907
Cl       2.00821995       3.87396000       2.08464004      -0.37306222      -0.45751868      -0.34347217
Cl       4.09571999       4.24883004       9.36619004      -0.04535745       0.93361925      -0.04546114
Cl       6.86469994       5.86588004       0.00731994      -3.12739514       0.40381266      -0.65785842
Cl       2.65914997       7.07316997      11.31309994      -2.59077278      -2.93731445       0.14216919
Cl       1.94472000       5.99066999       6.88554006       2.23689645       1.37999074      -0.27510345
Cl       9.30865001       4.92977996       0.33547304       2.80777297      -0.41582976       0.04381453
Cl       9.88516000       0.08651370       4.39115999       0.19695077      -0.31144180      -0.16612329
Cl       9.81909995       1.90900005       0.27109595       1.56574648      -1.57272257      -0.22887369
Cl       4.49153997       8.74488005      10.94940001       2.97707603       2.39181987      -0.05721819
Cl       7.32168002      10.07909996       1.22546000       0.78202533      -0.13779313      -0.84239057
Cl       7.39525995       4.70818998       7.18944001      -0.21118685      -1.79987035      -2.34658298
Cl      11.17380000       8.02788999       2.59899001      -0.95270480      -1.93432347       2.35552754
Cl       6.11123994      10.87119998       3.70540000      -0.49755976       1.20498319       0.39202687
Cl       9.39090003       9.19474001       9.42145005      -1.80050998       4.15339055       1.52924183
Cl       0.43706605       9.52323004       0.53752203       0.86531013       2.71279404      -1.76428669
Cl      10.31429999       8.08830996       6.08255998      -2.02356336       0.74369045       0.20410246
Cl       2.57473997      10.23789996       8.69495002      -0.05377724      -5.42735237       1.69321294
Cl       8.83488004       3.01890000       3.25328995      -0.93748320      -0.27498289      -0.36787053
Cl       5.86563001       2.34926005       0.11221994       0.89960593      -0.26166907       1.16573857
Cl       4.23284000       1.88185000       7.29044995      -0.89115924      -3.12026863      -0.12481574
Cl       2.70033998       1.00484002      10.95319996      -0.86861809      -0.78616694       0.40045095
Cl      11.11900005       5.73000001       8.82333998      -0.57276624      -0.34342182       0.81370588
Cl       2.22974997      10.08969995       5.67847002      -0.22566465       0.09746266      -1.28196841
Cl       4.50529997       3.64610996       4.58020001       0.47296242       0.46045203       0.34418563
Cl       3.76249006       7.09693003       3.82956997      -0.38204127       0.36071936      -0.09825180
Cl       9.17925005       0.76389605       8.17937005      -2.01230604       0.18524007       1.39208302
Cl       5.96925999       9.92165997       6.41634995      -0.64023291      -0.90378761       1.02792788
Cl       0.21452798       2.52988998       8.60820004       0.80858292      -0.49487377      -0.56051581
Cl       0.28373405       4.89723998       5.07820994      -2.43254803      -1.17599892      -1.05414512
Cl       3.70207995       0.50111904       2.95524000      -2.13787422       0.36067153      -0.92034466
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.87620737 stress="-0.013198112196545167 -0.008134715337121965 0.0011740315053784614 -0.008134715337121965 -0.02790552917173113 0.006000330684640584 0.0011740315053784614 0.006000330684640584 -0.0077491746220842124" free_energy=-223.87620737 pbc="T T T" config_type=melt 
Li       3.59065999       4.04981002       4.09487003      -0.02316695      -0.77115080       0.08757479
Li       3.63739000      11.33629997       5.16624002       0.22347822      -0.01717861      -0.09683777
Li       0.60215294      11.22150000      10.93499996       0.23320140       1.09057037       0.01919701
Li      10.56300000       0.99017595       7.27816001      -0.33463160       1.35613080       1.15890673
Li      10.44060001       6.10449998       3.19459995       0.29441357       0.47633098       0.66721597
Li       3.03674002       0.83141298       2.17359999      -0.19374735       0.46225238       0.24455536
Li       1.66190996       2.25226994       5.06974999      -0.41299787       0.03936911       0.30171286
Li       6.53019002       1.36413996       3.78366997      -0.47200376       0.55741338       0.61648268
Li       4.33593999       4.30354996       0.08497726       0.31496412       0.11633092      -0.28375082
Li       8.47666004       7.26932999       1.09523002       0.06397732       0.02859926      -0.35996742
Li       7.08049002       6.81879995       9.41921004       0.53505496       0.62782495       0.11754900
Li       3.67916996       3.46393005       8.26300002      -1.89095765       0.86617860      -2.46172606
Li      10.56990001       0.87773601       3.20589995       0.53532636      -0.11122655       0.04438213
Li       0.03020104       4.52409004       8.72305998       0.11916898       0.39739985      -0.74690619
Li       9.64477996       2.83869000      10.78870004      -1.76750800       0.03863078       0.35284468
Li       4.27160005       9.53120001       9.71950001      -1.70524360      -0.76284380      -1.89991512
Li       6.14470005       5.89486002       4.33237002      -0.29117532      -0.15863166       0.06079937
Li       1.33520997       9.32919997       7.60930001      -0.66124822       0.78773171       0.47252090
Li       6.11325995       1.37221999       8.03609005      -0.19845607       0.24036352      -0.11126350
Li       1.54863004       8.74449004       1.52155003      -0.08478571       0.91936326       0.20294345
Li       8.32246994       6.08139005       6.82432997       1.10683878       0.05750115       0.22401696
Li       7.59304996       9.95252996       9.49863996      -0.52761944       1.16261799      -0.81811486
Li      10.53759997       7.38428003      10.14579995       0.87222920       1.28973484       0.57602677
Li       5.07493001       1.02000004      11.12179997       0.53984548      -0.39006306       0.02096214
Li       4.38887998       8.18655001       5.73730000       0.39175868      -0.37044884       0.33183345
Li       0.62930403       3.85293004       1.04723997      -0.14876363       0.06729574      -0.18380088
Li       7.71841003       3.62310998       1.74750996      -0.56136072      -0.02427983       0.24901411
Li       5.56399001       9.57909995       1.40891004      -0.28356501       0.10265922       0.95553975
Li       8.40101998       8.89332999       4.43887994       0.12071582      -0.20615410      -0.03161085
Li       3.13676002       6.53742994       8.81861005       1.03791128      -0.47621388       0.99930461
Li       8.71122001      11.39019894       1.06719997      -0.02989222       0.56218556      -0.32750863
Li       1.74473996       6.08254003       5.72001003      -0.37977463      -0.11085408      -0.77742971
Cl       2.80061999      10.78519999       8.50506004      -0.27646321       0.12697615      -0.23232374
Cl      10.35680002       6.89535004       5.80914000       0.31312976      -0.35823661      -1.15707856
Cl       7.20088996       7.54046996       5.73712001      -1.02523844       0.08814667       0.35764204
Cl       9.46111004       6.00478997       9.08150995       0.83169352      -1.29830835      -1.73773513
Cl       2.37262001       3.16574000       2.51710995      -0.62556099       0.29248464      -0.82609817
Cl       4.84318005       2.61824003       9.47871000       2.31839786      -1.81003202       2.07785590
Cl       2.52583002      10.44820003       1.27892001       1.06365962       1.00459930      -1.25527452
Cl       3.90517001       5.84492999       5.00133002       0.22578264       1.64788020       0.58051914
Cl       2.71672003       4.54100994       9.87927000      -0.66839092       1.37245220       0.86009959
Cl       7.19806000       5.13525998      10.57219997      -1.25260631      -1.67566582       1.71647797
Cl       5.67417997      10.24640004      10.81119995       0.58789841      -0.24044424       1.89526606
Cl      10.60279997       1.21236000       0.44075904      -0.03848313      -1.62575231       2.46864745
Cl       7.06893002       6.81670003       2.63812998      -0.13388940       0.35569963      -0.58714685
Cl       1.90004003       7.23632994       7.41467001      -0.70469778       1.35005168      -0.03249408
Cl       5.52048995       3.75904000       3.25784001       1.60860201      -0.13172818      -1.00600589
Cl      10.52000001      10.66100000       7.61562003      -0.06422462      -3.78800947       0.68422837
Cl       1.56507004       0.35692397       3.74159996      -0.70781428       0.00183763       1.42646408
Cl       4.30767000       9.39914996       3.92147004      -0.15659011      -0.49271784       0.65310330
Cl       7.55148002       0.86910398      10.81219998       0.65652918       1.29459658      -0.23967822
Cl      10.96910000       2.33374005       6.03977001      -0.52946526       1.24669356      -2.41741516
Cl       8.55190997       8.47450005      10.58770003       0.13331651      -0.23412234       0.71197962
Cl       5.93989000      10.76969994       7.75087997       0.85656542      -0.66816264      -0.51477142
Cl       8.93580996       9.70846002       2.38006996       0.22395855      -0.52307397       0.51621571
Cl       8.50217001       1.63798000       2.97061004       0.02469031       0.30791363      -0.02463647
Cl       4.69363000       1.96041001       5.88946000      -0.31366345      -0.07042160       0.02539193
Cl       5.24735003       7.45868000       8.54701002      -0.91305219       0.12323396      -0.09075572
Cl       0.01116885       2.80523001      10.00170002       1.73387715       1.14961635      -1.79861089
Cl       0.66532101       9.24392005      10.66939999      -0.67992347      -1.74349916      -1.10142530
Cl       0.87588097       6.98055005       1.21020999      -1.14959601      -3.31359112       0.50088148
Cl       5.14070001       0.40063406       2.49709996       0.53351060       0.33883937      -1.05872010
Cl       1.58504002       4.15455995       6.58932003       0.99585886      -0.34068291       0.49897473
Cl       9.59275998       4.79215002       1.69841005       0.71020275      -0.23401212      -0.49812806
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.2669518 stress="-0.02046216409251451 -0.0022842471500879864 0.0004595953532465876 -0.0022842471500879864 -0.014799555250132384 -0.0047228236149281354 0.0004595953532465876 -0.0047228236149281354 -0.01369090205488536" free_energy=-225.2669518 pbc="T T T" config_type=melt 
Li       8.61819999       8.55777005       9.55567005      -0.57969698       0.31875015       0.05681456
Li       5.09580005       2.02171995       6.10062998      -0.31224587       0.81761926      -0.40035174
Li      11.27699995       5.08774994       4.40728003       0.21509584       0.98138656      -0.53186893
Li       1.27642996       1.97607996       5.13310997       0.15509516       0.20719345       0.06128076
Li       2.55561995       7.82552000       9.95828995       1.08832930       0.21382460      -0.63423208
Li       8.98828999       8.47201001       2.87267998      -0.60676223       1.62130141      -0.46334313
Li       2.71167999      11.22070002      10.78339999      -0.04744389      -0.04627320       0.04579436
Li       5.72595002       6.47672004      11.19899997       0.19071655      -0.14588948      -1.21348744
Li      11.06560001       6.41966003       0.27672502      -0.01591914       0.00347231      -0.24406018
Li      10.58150003      11.13320005      10.90759998      -0.29619820       0.03738116       0.15082153
Li      10.90509997      10.12700002       6.75010999      -0.30276168       0.32935760      -0.33967258
Li       4.95466994       3.81692005       2.43559995       0.28466936       0.19993207       0.07650361
Li       4.07378997       0.82235196       1.87807997       0.34788112       0.61425539       0.26373067
Li       5.65996999       8.37029995       3.77848995      -1.14036207      -1.39427891       0.61043187
Li       3.47238003      10.36620005       7.08464995      -0.73729508       0.29492889      -1.23002722
Li       2.15775005       9.04208005       2.79539996       0.26436926      -0.04894036      -0.02849356
Li       5.51078004      10.26570004       9.51628005       5.29109169       1.05733522       0.72493128
Li      10.47740001       0.53658299       3.21516996      -0.52441344      -0.79613005       0.04480202
Li       1.32854005       3.02004000       0.89775195       0.02518319      -0.10867275       0.71439223
Li       2.79187997       6.28232002       5.44480999       0.81912576      -1.20306574      -0.50919049
Li       8.13397001       4.64716998       9.33389000      -0.55289089      -0.13778767      -0.78799855
Li       3.30718996       4.48515001       7.92070998       0.12769737      -0.85150332      -0.69151845
Li       5.42962005       7.40196002       7.48544004      -0.99010745      -0.51551218       1.30586024
Li       9.31208999       2.12484000       7.34990003      -0.20194973      -0.79479026      -0.38973540
Li       8.12994994       6.28776005       5.82927999       0.38449776       0.32120274       0.01837877
Li       7.05676997      10.47599999       5.66703004       0.55649372      -0.28117704      -0.14718364
Li       5.37635998       2.35140994      10.79369995       0.20889761       1.29794551      -1.04134930
Li      11.27689999       6.03328995       8.04434995      -1.35238775      -0.38944746       0.78264518
Li       0.57383904       2.49989003       8.58365995      -0.60601186       0.21235200       0.13369304
Li       2.87479996       6.24574002       1.12648005       0.89110636      -2.02859754       0.27217786
Li       6.88647004      11.12060000       1.06297997       0.07959834       0.32305580      -0.14438991
Li       8.72890997       2.97906999       1.34230005       0.35683387       1.58719229       0.27154233
Cl       8.84792995       7.12455998       8.01250997       0.17419910      -0.84825472      -0.61785155
Cl       3.75252003       8.07260000       5.06631002      -0.84538884       1.32833039      -0.88099304
Cl       9.98232998       8.97413998      11.12060000       0.08660552       0.20332513       1.08590149
Cl       0.18346803       2.22007997       3.05034996       2.22029904      -0.86399161      -3.85855741
Cl       2.44758998       2.30790002       7.69296999       0.71444299       0.26473359      -0.51314094
Cl       1.38219001       5.23197999       2.15133005      -1.08449559      -0.48615105       0.48706554
Cl      10.18170000       3.89343999       8.08681994       0.24013611      -0.04639332       0.10525843
Cl       1.21707996       6.50777999       6.69567002      -0.15355031       0.12583949      -1.03377308
Cl       2.28078998       7.96709996       0.62127605      -0.54310797       2.96175339       0.47570920
Cl       0.68404700       7.02695998       9.76127997      -1.08655516      -0.67165829      -0.10550153
Cl       9.52913999       6.72125004       3.63141000       0.40608887      -1.79373975       0.84684007
Cl       5.12378000       0.30889402      10.80840003      -0.06606461      -0.11763208       1.40723304
Cl       0.73094198       0.64931986       9.81218000       0.33318099      -0.30471070       0.28213353
Cl       8.94565995      11.04092910       7.80504995       0.18092024       0.30213353       0.03674719
Cl       4.95721994       6.07662997       1.56252004       0.46840809      -0.23646619       1.60669485
Cl       6.19906997       8.49642996      10.58520001       1.23979420      -0.05429726       0.08783832
Cl       6.77098003       2.65701005       0.88054900       0.13325733       0.37697176       0.24884824
Cl       6.76527999       9.74487000       2.90387005      -0.12588437       0.99343534      -1.68160840
Cl       3.81616994       2.98186005       0.72414297      -2.17666514      -0.02081044      -0.29423235
Cl       3.93423002       9.75370999       9.00222998      -6.44638158      -2.61898107      -1.37109978
Cl       9.10957004      10.21609995       4.42744994       1.51040038       0.55755215       0.47348440
Cl      10.86490001       3.22707000       5.14045995      -1.87262528       0.76305059       3.61997045
Cl       6.51898002       7.87910003       5.86079999       1.64242241       0.40032618      -0.86592360
Cl       5.37509995       1.94624004       3.55041005      -0.16150977      -0.93423018       0.70592538
Cl       6.01204996       3.78018999       8.72240995       0.69641237      -0.50040857       0.25173760
Cl       1.12148999      11.25029999       5.47124995       0.04547868      -0.84075930       0.42487339
Cl       2.29442995      11.03759999       1.76089003      -0.13308012       0.08061937      -0.19620226
Cl       4.01316995       6.17298999       8.95039997       0.24556382       1.22519893       0.65758264
Cl       9.61591003       1.34685997       0.66772198       0.79075638      -2.16921578      -0.38169763
Cl       4.36517001       4.21727002       5.66172999      -0.38071276       0.83389548      -0.04894954
Cl       9.56250999       4.78274002      10.81090004       0.48147287       0.48899495       2.31561221
Cl       5.36053997      11.43909995       6.74039000       0.44594611      -0.09488042      -0.00682258
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.30412289 stress="-0.01616558154310574 -5.013967184210207e-05 0.007990237532992968 -5.013967184210207e-05 -0.005543209259641695 -0.0038004597938519616 0.007990237532992968 -0.0038004597938519616 -0.022045742018357132" free_energy=-226.30412289 pbc="T T T" config_type=melt 
Li       0.01080187       3.31687005       5.94405004       0.24317613       0.11675780       0.23078848
Li       2.00969999       3.65131004       1.20505003       0.21970775      -0.35468142      -0.05743673
Li       8.89530001       9.62071001       1.83920998      -0.45441170       0.58401417       0.30583402
Li       5.22824997      10.61280003       2.96019004      -0.94365895       0.29225590      -0.18983944
Li       0.73849499       0.28857599       6.65431000       0.60028955       0.95045671       0.99443605
Li       3.28105002       2.86973997       8.46454000      -0.29795418      -1.51333104       0.50504020
Li       0.07273341       6.78144004       0.34200103       0.00328259       0.11699749       0.04102318
Li       0.31431204       6.40037000       3.74387998      -0.14106856      -0.09193635       1.16723207
Li       3.86464998       6.37050005       2.86099994      -0.30982406       0.04001430       0.22971532
Li       4.34631998       9.06281997       6.13387995      -0.14412902       0.44324950       0.19275257
Li       0.59777198      10.86300004       0.46440102       1.09093058       0.48452368      -2.27560952
Li      11.29409996       3.19014000      10.07530001      -2.71967733      -0.28690679       1.55090316
Li       8.43952999       1.66900005       4.74296000       0.82371577      -0.02939965       0.02330640
Li       0.37544405       8.13445002       7.93798000       0.78983596      -0.08996570      -0.39563335
Li       3.99235999       1.77603997       5.16466999       2.22219314      -1.04101688      -0.99489378
Li       9.66687999       3.93907001       2.26491997      -0.98928271       0.33639385       1.92297852
Li       8.44014997       2.65290996       8.98024001      -0.08354752      -0.09923425      -0.12336945
Li       7.05904001       7.16566000       8.66564996      -0.06323699       0.36195409      -0.06560708
Li       3.69473994       0.86789301       0.65281004       0.51176061       0.24539973       0.20540794
Li       6.46249001       3.62106005       6.95244995      -0.42614356       0.48838620       0.36921991
Li       7.66550994       6.47446995       0.50619199       0.98380092       1.93064863       4.61139113
Li       9.35130000       9.65798004       9.84179005      -0.74474706      -0.97900773      -0.72519000
Li       3.78076996       8.29647996      10.52669997      -0.19807286       0.00035916       0.59850495
Li       1.08700005       9.93784995       3.50064005       0.66302807       0.02686416       0.70354368
Li       8.93984000       1.09005998       0.64271299       0.10754815       0.07489798      -0.06608211
Li       5.93908005       2.76949000       2.34988004      -0.29685164       0.07959664       0.22930277
Li       6.86718999       6.67907995       4.36139001      -0.96219370       0.41550665       1.66607985
Li       5.69424005      10.58120001       9.85413995       1.93536638      -0.38722657      -0.78449371
Li       8.55480997       9.89426997       6.26584000      -0.91043770       0.84796983      -0.05400715
Li       9.72188996       6.55975995       6.88464997       1.78302813      -1.20502630      -0.01792346
Li       3.17897001       4.61252997       5.55209995      -0.38239367       0.21063380       0.23576463
Li       5.14110000       4.75486004      10.44579998       0.32401264       0.82494616      -0.91797377
Cl       4.59831999       3.61464005       0.56559404      -0.47332009      -1.15026239       0.90734516
Cl       6.36153005      10.51010003       1.22779000       1.23866520       0.01548758      -0.70378637
Cl       0.95354597       7.69327001       9.95331996       0.21385769       0.10391046       0.33348779
Cl      10.00130004      11.38900001      10.62080004       0.65196543       1.50273977      -0.09679548
Cl       5.06936995       5.08389003       4.40544001      -0.31774116       0.31944815      -0.34857724
Cl       4.49210997       6.91396001       0.91857602       0.58741607       0.26879874      -1.28056853
Cl       7.79680003       5.93206998       2.82860005       1.35913972      -0.46892169      -2.17149933
Cl      10.13889994       8.67252004       6.76263002       1.62596174      -0.35546931       0.21260466
Cl       2.30562998       2.38795004       5.83389000      -2.61607296       1.12450101       0.74285417
Cl       2.49426003       8.33080000       2.91232002       0.11383466       1.44570860       0.88731038
Cl       1.42300996       5.84769001       2.07511999      -0.36972609      -1.72443292      -1.39908560
Cl      10.06669997       4.22705994       4.46456005       0.29967042       0.07058589      -0.15673503
Cl       6.48279004       2.15068003       5.41138004      -0.62818699      -0.33128209      -0.34708356
Cl       3.88244999      10.80650005      10.56199998      -1.93534018      -0.17126810       0.18775954
Cl       3.55438001       1.46410000       2.88397001       0.87315449      -0.34564569       0.38856588
Cl       7.62825000      10.17339997       8.31954002       0.26733089       0.26575305       0.35969312
Cl       1.33977997       6.15000996       5.85745999      -0.28811909       0.12477533       0.02335088
Cl       7.80810002       6.81070995       6.64520002      -2.58670296      -0.48470864      -0.85509769
Cl       6.26413996       2.26434000       8.81608997       0.29997542      -0.06716429       0.58085570
Cl       2.37262001      10.71349998       6.21819996       1.55978832      -1.74481670      -0.31212744
Cl       6.01309997      10.11640003       4.80660005       0.47007940      -0.77246667       1.11795292
Cl      10.45330003       0.18037795       5.78315002      -2.23446345       0.56024961      -1.14443087
Cl       9.24231998       8.30067004       0.24546904       0.26990235      -1.20047697      -0.46433078
Cl       5.22882995       8.29091004       8.88356001      -0.84200174      -0.10112898      -0.63446056
Cl       4.14485005       4.38367003       7.56361003       1.47718869       1.91642041      -0.12583328
Cl       8.19662998       1.90506998       2.47601004      -0.36257231       0.20732100       0.17694068
Cl       9.96411003       3.72381003       7.73980994      -0.71848627       0.15085666       0.33545410
Cl      10.34269999       3.53531996       0.47450804       0.28228380      -0.02914725      -1.46797545
Cl       1.27214003       3.21743003       8.99485994       3.08856960       0.13486987      -1.90617130
Cl       1.64734001       1.31797995       0.33141101      -0.83686237       0.83629187      -0.09010028
Cl      11.07790003      10.52470002       2.06428006      -1.80807591      -0.48495750       2.42227333
Cl       7.19455996       5.84463994      10.37919997      -0.89515750      -2.40966257      -4.28695476
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.91922605 stress="-0.017028418518788065 0.006759754941744311 0.0012041320444662925 0.006759754941744311 -0.021039401107456234 -0.0029550810432097904 0.0012041320444662925 -0.0029550810432097904 -0.0220798622703258" free_energy=-219.91922605 pbc="T T T" config_type=melt 
Li       2.52676998       8.78367002       6.55839995       0.42329727      -0.53202240      -0.57747626
Li       9.09841002       5.58172995       5.12666005       0.02642092       0.02914325       1.26690839
Li       2.02414006       1.54416997       6.28546994       1.19275535      -0.36205519       0.15413040
Li      10.79189995       8.39029996       3.05679002       1.98642088      -2.12082470      -0.82063213
Li       6.96087998       7.44071995       8.43274004      -0.01515853       0.75698329       0.32371035
Li       5.59935995       2.51661996       4.56909995      -0.54260285       0.08190969       0.14239939
Li       9.19680003       5.89637996      11.06459998       0.51865897      -0.17988369       0.29637682
Li       5.41463004       8.91155005       0.36008696       0.14645708       0.29627496      -0.16395055
Li       1.87938002       5.36998997       4.56305002      -0.60531998      -0.00605408       0.43102792
Li       3.10941003       1.75897997       9.47651998      -0.26452140      -0.00747580      -0.48471073
Li       3.22196003       9.89112005       3.27960999       0.05909808      -0.18592823      -0.23821109
Li       8.21390997       9.09784002       5.35230999      -0.65246969       1.61153323      -2.60710011
Li       5.59207004      10.57500001       7.99034000       0.21153201      -0.38544559       0.30098810
Li       9.99813005       0.28387598       3.66271998       0.28512608       0.79123780      -0.16391890
Li       6.46271001      10.91969996       2.92608003      -0.14543908       1.97061644       0.35286884
Li       0.97789002       0.21946197       1.00420995      -0.02459807       0.02391879       0.07090298
Li       8.95594995       1.48889002       6.74112005      -0.77889734       1.20825951      -0.52457154
Li       0.24979898       2.23997003      10.48490006       0.00145423       0.47782229       0.26662143
Li       8.91577005       3.31513000       2.25497001      -2.30698842      -0.67923604      -0.17681854
Li       6.36094996       1.90255002      10.33219997       0.00603309       0.33855514       1.23648854
Li       5.12939004       5.70366002      10.08059995      -0.35643765       0.02594303       0.05539202
Li       0.09651995       6.12985002       8.66537997       0.33822634      -0.13811507       0.52845990
Li       5.13301000       4.91333995       6.45474004      -0.73836210      -0.34824474      -0.55491638
Li       6.63245002       5.49026999       2.58105002       0.37869624       0.44077450      -0.67268372
Li      10.82279997       8.19592997       6.68174001      -0.02613349       0.54994053      -0.19600370
Li       1.57040002       5.33545004       0.20936699      -0.24408888      -0.80398658       0.62216430
Li       8.71368999      10.96699997      11.34230004       0.71743267       0.39023998       0.06731555
Li       1.09025006       3.25252999       3.01318001       1.00393803       0.22106344       0.00814026
Li      11.45399537       0.01531995       8.48204997      -1.05614379       0.18795922      -2.53096629
Li       1.65832004       8.36478999      10.89000002       2.50777228       2.96076735       0.83846311
Li       5.48445003       7.77887001       4.76766002       0.04235947      -2.04634894      -0.29748107
Li       4.60746000       3.03552997       1.37261997      -2.18840305       2.81517104      -1.62201814
Cl       9.52523996       9.65093994       3.62367998      -2.04538982       1.02679561       1.78665743
Cl       6.84730003       5.72732998       7.30054000       0.35301137      -0.82400752       2.16287526
Cl      10.75719998       3.74003004       2.32240004       2.23493656      -1.59299149      -1.37245338
Cl      11.37370001       7.88927997      10.70460003      -4.98989544      -0.57780123      -0.52164454
Cl       5.34716000       1.60317995       2.22028002       1.30118901      -3.23854587       2.21609580
Cl       1.57317999      10.36950004       7.53038999       0.57210560      -0.56577036      -0.27531843
Cl       7.71263994       2.02782995       4.53002005       1.27083866      -0.69594532       0.25413471
Cl       5.42207999       9.75303004       4.93530001      -0.81310096       2.31277333       1.87006197
Cl      10.10360005      11.36029999       1.29231006       1.03580405       0.63360246       1.07932771
Cl       3.83185996       3.43809002      10.72790003       0.95360541       0.45872451      -0.48434454
Cl       7.04550001       5.89176994       0.31051989      -0.57963303       0.20342543      -0.34299452
Cl      11.17260003       4.67019002      10.37049995      -0.43790972      -0.43819456      -0.19166786
Cl       4.15413004       2.79616004       6.56484000       0.00359957       0.06493416      -0.64033807
Cl       1.65415999       2.36960995       1.22555000       0.61460431      -1.64110725      -1.70871072
Cl       0.96419800       2.00341000       4.63420995      -0.92504826      -0.75706821      -0.12776259
Cl       4.88210999       8.05533995       8.97689003       0.43315971       0.56594302      -0.23934873
Cl       2.86915999       4.74902002       2.77435005       0.10815637      -0.25264369      -1.42512176
Cl       7.93389000       2.42955002       0.22711988       0.44473212       0.33642701       0.21720665
Cl       1.06437002       2.08584001       8.01754004      -0.48557761       1.01397056       1.28815647
Cl       9.50346000      11.09089995       7.19402996       0.64906241      -0.41379466       0.21445952
Cl      11.43409579       6.00614998       6.34909005      -0.01532203       0.21774589       0.11013970
Cl       1.42572000       9.08704995       4.43235998      -0.11589327      -0.27624580      -0.26315715
Cl       0.57637998       0.02314982      10.27539997       0.90515518      -0.28587949       2.82680080
Cl       6.98285001       5.27483003       4.63259005      -1.70480321      -0.44275479      -0.60574234
Cl       9.43896999       5.65785002       3.15927999      -0.74169081       3.77682463      -0.64385464
Cl       2.58141000       6.74000996      10.47730004       2.24682210      -2.35789706      -0.86514939
Cl       3.75002999       6.25326999       5.01699997       0.87884308       1.43920758       1.57422586
Cl       8.52121997       8.27145000       6.99270998       0.82090044      -1.66017760       2.42632733
Cl       7.08262995      10.52550000      10.37280003      -1.64376523      -1.47100058      -0.21761155
Cl       6.59431994       8.99979004       2.51455995       0.11960513      -2.37692496      -2.00341930
Cl       3.09909997       9.62356003       0.85723295       0.12937714       0.32180716       0.53140392
Cl       6.17515995       1.16742002       8.49783995      -0.47759348       0.11407667      -1.96013276
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.80675302 stress="-0.01871291632318893 0.003804396051514273 0.0014813326503384716 0.003804396051514273 -0.012677784725043467 0.003965149907647436 0.0014813326503384716 0.003965149907647436 -0.012729035410476016" free_energy=-225.80675302 pbc="T T T" config_type=melt 
Li       8.98046000       0.31718499      10.46530003      -0.40972668       0.67559196      -0.43974511
Li       6.19810995       7.65485997       2.52171996      -0.35140347      -0.23710417      -0.34583976
Li      10.04159996       1.57418999       1.84471995      -1.06489490       0.81616770       0.30525123
Li       2.48429001       2.69482005       6.38391005      -0.00104272       0.80879453       0.13244072
Li       7.98325003       8.06015002      11.10480005      -0.66041745       1.34418984      -1.03854810
Li       6.15175998       1.85419001       8.24582997      -0.25238255      -0.18346837      -0.63845740
Li       0.21581805       4.89847995       5.76531996       0.01487604      -0.25377642      -0.75141475
Li       2.95590997       2.94595003       9.06714005       2.78345290       0.43103751       1.83184424
Li      10.42670003       6.37562997       2.28969004       0.37619717      -0.10663996       0.17736375
Li       5.54012998       2.63206996       1.10772999       0.86314021      -0.12152296      -0.11068732
Li       7.88201998       8.62456003       4.93917998       0.22095443       0.07579241       0.01217456
Li       0.66671404       8.10332002       0.26471986       0.13384210       0.16350486      -1.78987127
Li       4.09038005       9.78926004       9.82417003       0.14403678      -0.24756945       1.28071981
Li      10.48269995       8.17886997       7.84191999       0.17263463      -0.09663318      -0.21151682
Li       2.03292995       8.50379003       6.28061998       0.72371384      -0.50301968       0.53784385
Li      10.54580003       9.68653000       2.35087995      -0.28653423      -0.10524520      -0.14253367
Li       5.86664998       8.59019000       7.37458997       1.06004608      -0.69167580       0.28601037
Li       2.58783997       4.63449003       1.63424998       0.03878804       0.24594386      -0.65048280
Li       8.70621998       0.74863801       6.22798999       0.99979108       0.21332208       2.25937310
Li       0.16750104       0.34819495       7.09421999       1.51389625      -1.28287301      -1.03651987
Li       4.54183996       6.03775001       5.61666001      -0.59825131      -0.53538180       0.50161586
Li       5.13709003       5.86694003      10.92750003      -0.32996990       0.38080864      -0.27155183
Li       7.81293004       5.75247997       7.02493000       0.03002979      -0.79864849      -0.28919481
Li       8.17456995       4.68831001       0.48214199       2.86224533      -0.30386782      -1.15396524
Li       7.02422001       0.42768999       3.30875999      -0.67520595      -1.12892560       0.56114270
Li       1.91228995       6.01326001       8.69226004       1.82128127      -1.86870150      -1.42339301
Li      10.69180005       3.65713997       9.20229004      -0.00062405       0.21773870      -0.65172592
Li       1.39177002       1.18233001       3.80490996       0.21483631      -1.01683371       0.01989119
Li       2.18196995       0.89419998       0.51839996      -0.51689626      -1.07904337      -0.04955015
Li       4.46632004      11.28547607       6.29559004      -0.07830486       0.58410424      -0.64847908
Li       3.21910003       9.35983997       2.04983002       0.51307359      -0.59495905       0.77202753
Li       7.70642997       4.26182996       3.93549005       1.29749617      -0.30926001      -0.89868381
Cl       8.26045002       7.77433004       7.31583003       0.15429751       1.51462638      -0.57339502
Cl      10.01169997       5.06376999       7.04401000      -0.68277288      -0.45039659       1.49438985
Cl       9.02931996       6.84895995       0.79453296       0.74676787      -1.39973180       0.30539399
Cl       4.28335002       5.62528997       8.75620997       1.51865031      -0.34810258      -1.86745840
Cl       7.61470003       2.02183998       2.14840001      -0.55002747       1.17699177      -1.80410838
Cl       1.25303997       3.20123994       8.36692005      -2.37621830       0.38451110      -1.88707987
Cl       2.25493000       5.15675998      10.48710005      -0.89889444      -1.10682416       3.60764859
Cl       0.74857496       7.43045001       9.06223001      -2.30680572       3.20767053       1.01789000
Cl       4.02492004       7.08859000       1.18554001       0.35544379       0.31097646       0.75542933
Cl       0.29341988       9.47805000       5.86312999      -1.52256183       0.46162069      -0.00419985
Cl       8.88671005       1.00730003       4.33608995       2.53071143      -0.08168943      -1.33285242
Cl       3.94663998       1.32577005       7.98946998       1.11333367       1.00370634       0.89718871
Cl       9.48630004       3.15954000      10.92039997       0.27760505      -0.23378163       0.69024011
Cl       1.19577004       3.20995005       4.13168000       0.12001851       1.34343837      -0.10857094
Cl       9.74815004       5.40554002       4.03479995      -0.41656828      -0.23271128      -0.17198756
Cl       4.17394995       9.74276000       7.77376003      -1.10012677      -0.79931741      -1.03362249
Cl       6.78000001       1.34048995      10.15540002       0.21041637      -0.38794673       0.69784069
Cl       6.27959003       7.82917997       9.70482997      -0.25105035       0.42366345       0.69918722
Cl       6.07428002       7.31475995       4.78481998      -0.20468217       1.43643448       0.21322919
Cl       4.28371997      11.02370001       3.22430000       0.03730775      -0.02112363       0.26429873
Cl       6.77855998       0.12787201       6.18094999      -1.76231877      -0.73438480       0.65176629
Cl       9.58973995       9.73931005      10.92420003       0.41664109       0.01631156       0.02944691
Cl       0.18270795       0.22827904       1.56463004       0.32740862      -0.16896913       0.53991280
Cl       6.45572998       4.85253995       1.19499001      -3.14615151       0.30216824       1.00741338
Cl      10.27640000       1.38563996       8.00580004      -2.28483475       0.30485859       0.80233976
Cl       3.41249006       2.51322000       0.65950002       0.20632858       0.81227949       0.22215127
Cl       2.09766003       0.70121900       6.00530002      -0.72078378      -1.38328973      -1.46846700
Cl       0.86279805       7.55160005       2.23498995      -0.19663883       0.35583509       1.07393343
Cl       5.95233000       4.42250001       4.88644005      -1.21082300      -1.13829256       1.10378059
Cl       1.92382004       6.20147999       6.34164996       0.94908848       0.10512834      -0.86348739
Cl       2.64195997      10.09490004       0.20841992      -0.26327763       0.33344078      -1.54880408
Cl       7.83366995       9.27180003       2.61732002       0.37183974       0.50105305       0.45501438
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.27637196 stress="-0.013459253767685487 -0.0020271814342030874 -1.4660381193349142e-05 -0.0020271814342030874 -0.00939520287250468 -0.004536313796896467 -1.4660381193349142e-05 -0.004536313796896467 -0.012774797487545514" free_energy=-226.27637196 pbc="T T T" config_type=melt 
Li       6.36924001       9.87303996       4.85903996       0.17038757      -0.29250174       0.03888619
Li       5.88729005       0.97269796       2.14670995       0.30162605       0.24312736       0.16538301
Li       3.54311005       1.45118996      10.79179998      -0.38835342      -0.27116181      -0.02711053
Li       6.96878999       8.64351002       1.05365997      -0.85645340      -0.79866670       1.62013316
Li      10.52879999       7.75579998       1.08046002      -0.14364478       0.06367746      -0.25369504
Li       6.94997000       1.06438996       7.24350005       0.42189700       0.01276096      -0.39765537
Li       8.27166002       6.85987004       3.56630000       0.93459459      -0.17474449       0.42047857
Li       3.60071003       0.67382900       7.07475995      -0.41191211      -1.06978258      -0.23806336
Li       7.22505001       4.44228002       0.94180505       0.33303653       0.84274057      -0.64390258
Li       4.60293001       4.25545995       9.17425002       0.00036947       0.17992247      -0.10511054
Li      11.44440000       3.39339997       0.43822096      -0.16649353      -0.60117924      -0.02716707
Li       9.48372000      10.67880001       2.83513997      -1.06114472       1.64653088       0.14030407
Li      10.95869995       1.17656003       6.45321002       0.15179540       0.51371595      -0.18808163
Li       1.33830005       3.66156002       8.85390994       0.76837526       0.67892430      -0.71923376
Li       9.03809002       7.82121000       9.94385998      -0.83169409      -1.42038069      -1.14946825
Li       6.60186997       5.87120004       7.25912002       2.63303929       0.98705656       0.68888058
Li       9.45233998       9.13403997       6.04672001       0.26089835       1.07536398      -0.04110157
Li       8.30293997       3.65370000       8.62105998      -0.28330074      -0.44532518      -0.27250787
Li       0.86295901      11.26199998       0.38378604      -0.57375496      -0.81177087       0.18154229
Li       2.57442997       1.05988003       3.27257001      -0.20212561       0.00087000      -0.40791560
Li       3.31904001       4.46606003       1.54112001       0.13816606      -0.11653604      -1.08718301
Li       4.52375998       3.29667996       5.65724998      -0.00637908       0.52653276      -0.71446368
Li       3.50381004       8.94107000       1.76775003      -0.10791622      -0.19010976      -0.08108829
Li       1.46801998       6.10818001      10.91470004       1.38298428       2.18021554      -2.80722893
Li       0.65148500       8.37353001       3.59676002      -0.47191153      -0.02874513       0.03458936
Li       8.44659003       3.08683996       4.41402997       0.11043381      -0.22718263      -1.88492457
Li       4.13462999       6.95962006       4.24745994       1.13985609      -0.37601621       0.18311125
Li       5.16875999       8.53871000       9.43251996       0.03450142       0.00318857      -0.20534256
Li       0.93722897       9.63912004       8.75514001       0.21063145      -0.24695899       0.00945311
Li       8.75397994      11.04120000       9.99956996       0.04606858       0.10965927       0.06541322
Li       0.56941600       4.40676999       5.01707002       1.17952981      -0.55274366      -0.53902436
Li       2.92270001       6.83632000       7.03135997       0.80249418      -0.68391181      -1.95122164
Cl       9.90371001       8.94160997       3.74860005       0.52315380      -1.43849998       0.42075057
Cl       1.64861002       5.24476002       6.38965996       0.28510289       0.19254313       1.72362446
Cl       4.11208995       2.61357006       7.58789000       0.00362309       0.63825062       1.45123273
Cl       8.43404995       0.94364599       4.65018004       0.59602731      -1.55363773      -1.24428842
Cl       2.45897000       7.51769995       8.75276003      -0.39102217       1.09234670       2.22004277
Cl       1.71373997       1.28912998       5.20199998      -0.22984233       0.07865527       0.56617342
Cl       6.52567000       9.17263000       7.35816005      -0.76885693      -0.14379781       0.80297914
Cl       6.37237996       7.70114001       3.64424002      -1.23881294       0.16735085      -0.11016940
Cl       9.96486002      10.79820003       0.79824303       0.66182337       0.77479584      -1.26292364
Cl       7.78319995       9.06588001      10.76760003      -1.13197698       1.42871508      -1.30060685
Cl       2.74157998       3.84345000      10.64920004       1.35676222       0.02579987      -1.08609473
Cl       7.48056004       1.41436004       9.35847997       0.13416758       0.29160368       0.53941446
Cl      10.31439996       4.16705005       4.24993004      -1.56413288       0.19949008      -1.87392285
Cl       0.98579499       8.86981996       1.46940005       0.73927421       0.31419099      -0.67364142
Cl       0.21824298       1.96890997       8.81256998      -0.83229000      -0.46185789       0.08454666
Cl      10.04479998      10.87800002       7.28660998       0.25869978      -0.74078730       0.80174593
Cl       3.28876995       5.18246003       3.44026996      -0.20947529      -0.70930240       0.78328541
Cl       8.60429003       7.34437998       6.17347998      -0.19724689      -2.48761261       0.19789843
Cl       3.89466002       0.10834100       1.78001005      -0.22236628      -0.54510854      -0.44021157
Cl       4.56109995       6.99816996       0.06151893      -0.06746324       0.75815951       0.30785197
Cl       0.88629203       5.21033004       0.96720703      -1.75659730      -0.34466406       3.23234483
Cl       3.13504003      10.98129994       9.13758003      -0.31162161       0.09234852       0.42589087
Cl       1.41106005       1.78323999       0.93197398      -0.18486800      -0.03471741       0.60222225
Cl      10.97569999       7.92891003      10.14179995       1.81073221      -0.03953034      -0.03635239
Cl       6.70852997       5.18402995       9.54272998       0.45581246      -0.26343991      -0.09850709
Cl       8.56126998       6.29860996       1.07750006       0.24540145      -0.03943864       0.37636733
Cl       5.77993004       3.28065003       1.83657996      -0.52339340      -0.62868314       0.32622029
Cl       2.70920004       8.46331000       4.00340995       0.56210416       0.85566090       0.81481877
Cl       5.48238004       0.23310504       5.82715004      -0.94110149       0.55344338      -0.66874518
Cl       6.90679999      10.53590005       2.20806999       0.32612777      -0.03606903       0.29803451
Cl       4.89522994       5.49958999       6.48142006      -1.86765399       0.03281550      -1.07558956
Cl       8.34003998       3.18776999       6.32889996      -1.03569154       1.21440779       4.08892373
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.94973949 stress="-0.008006036889737644 0.000616017733118079 0.0032291196069361597 0.000616017733118079 0.0025652402779088165 -0.006006156496775665 0.0032291196069361597 -0.006006156496775665 -0.020894720716424026" free_energy=-225.94973949 pbc="T T T" config_type=melt 
Li      10.29060000       9.31027003       2.12906000      -0.01648287      -0.18767988      -0.00825413
Li       8.95491002       7.57985996       5.73115996      -0.30089154       0.14991326      -0.05477536
Li       1.09373004       7.12385997       1.50164001      -0.38375617      -0.76696295      -0.16661629
Li       4.17472998       2.72867005       6.96601999      -0.07049963      -0.08810569       0.46026303
Li       4.56446999       0.70589402       3.68151005       0.64603219      -0.13770081      -0.11392488
Li       1.56570000      11.19630002       5.92801002       0.27709800       0.35763647      -0.21064844
Li       8.30618998       1.03518998       4.40449994      -0.07928748      -0.59410636       0.16382271
Li       2.96377997       4.24563999       3.26596005       0.00534844       0.56904777      -0.52025782
Li      10.32279995       4.13044002       3.15334998      -0.41453680      -0.02221389       1.34609844
Li       8.81208000       6.36910003       0.94181996       0.19582300       0.60973757       0.10191541
Li       5.95174005       5.35712006       3.70154996       0.28904172      -0.26443108       0.23382237
Li      10.58740001      11.15129997      10.86370005      -0.40932697      -0.25910787      -0.05537268
Li      11.16210001       2.74214998       7.14124005      -0.34246795       0.20671182      -0.39414824
Li       4.92913005       7.63198002       0.41893300       0.24583545       0.31884735      -0.00870728
Li      10.68909998       3.18829998      11.08600000       0.05356540      -0.48201325       1.86432951
Li       9.81692002      10.46979999       6.87009996      -0.56036836       0.05066781      -0.21082384
Li       6.41524995       9.54156005       4.80279001       2.16616575      -0.44331468      -1.35250186
Li       5.10905000       6.93722997       6.72319003       0.17236804       0.08476550      -0.25959850
Li       1.05350004       1.92343002       2.87875995      -0.33004908      -0.28873989      -0.00483056
Li       3.18709004       8.74331002       4.02266994       0.33219067       0.12770997       0.35009157
Li       0.96467297       8.81304001       8.26340998       0.31031443      -0.00183761       0.85669349
Li       2.69352000       1.70811995      10.13430001      -0.25739583      -0.20740357      -0.11626436
Li       3.63127999       9.60619004       9.48394998       0.49984571       0.00287318       0.28974270
Li      10.43629999       6.28426000       9.29854998      -0.16828240       0.00561764      -0.14888531
Li       0.40969600       6.32852003       5.53506001      -0.00595639      -0.18627037      -0.16815990
Li       6.83411003      11.25890003       1.24565995       0.51468795      -0.10233992      -2.92016497
Li       6.37345004       4.89304004       9.55546003       0.60440214       0.59918272       3.80132194
Li       8.16869004       8.65643004       9.91347998      -0.21080679      -0.05281380       0.70376716
Li       8.16715004       3.72335995       6.43651997      -0.21958923      -0.36479917       0.23768688
Li       2.38900006      10.35849995       1.00348002       0.33736282       0.22624572      -0.29889665
Li       6.32109003       3.75811001       1.13700001       2.09001192       0.39208748      -0.82104817
Li       6.51185004       0.78782796       9.62226996       0.17752548      -0.15869501      -0.11005803
Cl       6.35741002       9.77690005       9.97822003       0.28946925       0.25070714      -1.29691082
Cl      10.32169995       8.54772000      10.92750003       0.42150315      -0.72956496       1.37049463
Cl      10.01800005       4.95552002       6.43422001       0.05842359       1.07529727      -0.18463310
Cl       9.14136003      11.25319999       0.94078794      -0.12953060       0.20741190       0.48780685
Cl      10.37970004       6.76135003       2.66437000       0.19389725       1.16547535       0.41540881
Cl       4.13114003       6.65136998       3.71045999      -1.18024228      -0.04034859      -0.43576856
Cl       8.89275001       4.37107996       1.60398004      -1.36492636      -1.18315267      -0.77470067
Cl       6.98403003       6.79841004      11.05390002      -0.16745390      -0.45169028       0.11435192
Cl       0.55471100       3.91637004       2.03801998       0.89398453       1.06582403      -0.68648508
Cl       4.99165004       3.60394995       2.47030003      -2.24121186      -0.42630965       1.60995770
Cl       8.74777994       9.90649995       4.87384998       0.85625623      -0.44249043       0.15736502
Cl       6.11641996       4.68429006       7.76796002      -0.85218520      -0.03973380      -4.38385474
Cl       0.58122799       8.97145997       6.18331002      -0.29838891       0.35769691      -0.71181586
Cl       1.28214995       1.85736998       0.33833704       0.21199751      -0.03589123       0.19587770
Cl      10.27700004       1.93904002       4.72352999       1.47634846       0.12428311      -0.58363865
Cl       2.48142004       0.06481915       3.63927002      -0.35747194       0.85932270       0.40634378
Cl       3.36595998       8.06401004       7.73403000      -0.49267189      -0.25412989       0.77335060
Cl      11.12209999       3.99078996       9.29864995       0.11162791       0.90821176      -0.81280558
Cl       1.10526998      10.96790003      10.33649999       1.44514609      -1.73758886      -1.76972362
Cl       6.79970997       7.23450002       4.69631001       1.10163706      -0.30665537       0.80409644
Cl       1.79535006       1.95720001       7.23178000       0.21143664      -0.62594267      -0.29949786
Cl       7.17844003       2.87501996       4.69556002      -1.03225013       0.81234832      -0.09065737
Cl       1.52230002       8.91737998       2.51252997      -0.96393028       0.63888492       0.98258201
Cl       1.49471995       4.54309002       4.75813997       0.21044813       0.20044119       1.39822636
Cl       2.76705005       7.83843004       0.09251995       0.44378911      -0.33344848      -1.18119965
Cl       8.51394004       0.99697702       7.16566000       0.18816994      -0.11494069       1.06379190
Cl       6.81834997       3.12485998      10.74989998       0.49758055      -0.98615946      -0.97358332
Cl       6.59356995      11.25520005       3.09443997      -0.56562443       0.34256437       3.16241426
Cl       4.54846998       1.56731005       8.95411004      -0.08827741      -0.11978424      -0.44606265
Cl       4.79051005      10.86169999       0.53590201      -1.94604651       0.38986454       0.68271790
Cl       4.87028998      10.00820004       5.80027994      -2.38496168       0.88658144       0.86841419
Cl       9.42687001       8.31475001       8.26718999       0.30553638      -0.54959214      -2.32748051
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.66039286 stress="-0.019984025377934166 0.005507796472272678 -0.004746525302686529 0.005507796472272678 -0.021932364075100602 0.0009409352567179841 -0.004746525302686529 0.0009409352567179841 -0.007311273780883771" free_energy=-224.66039286 pbc="T T T" config_type=melt 
Li       8.38539004       7.08873995      11.31940002       0.25857987       1.35401992       0.38103426
Li       9.92313004       5.00322002       3.03066005      -1.51661236      -1.97943735      -1.63329745
Li      11.42219999       8.23896000       2.15623000      -0.28314597      -0.14873274      -0.06442316
Li       8.14092997       3.23020995      10.47719996       0.04017992      -0.18743119       0.18757135
Li       4.63058002       3.61787000       5.38067995      -1.20365246      -0.60236522       0.55654128
Li       3.41185000       8.22452005       6.38171005       1.12735163       1.10615988      -0.51691504
Li       7.98735998       2.57985005       5.87237995      -0.13027649      -0.13921886       0.10314937
Li       0.40357797       3.35154996       5.82869003       0.53783569      -0.10226278      -0.27953744
Li       8.11528002       7.95806003       5.05856005      -0.14882633      -0.34086395       0.19232454
Li      11.00140004       8.47908003       7.85819996       1.46668855       1.44966568       0.74032775
Li       2.76407003       4.74321004       8.83857005       0.31908610      -0.35690868      -1.33629201
Li       1.95408998      10.86789999       0.64869998       1.15352762      -0.43452656       1.72809808
Li       4.75988999       4.36243005      11.14478814      -1.65652617       0.06043681      -0.54630786
Li       2.78721997       2.96369995       2.53053003      -5.09606193       1.46187281      -2.83210599
Li      10.65959998       0.26851992       7.09623002       0.65792126      -2.50233816      -0.12210033
Li       3.90065997       0.40486105       4.21161997       1.19256856       0.43096534      -0.78339704
Li       0.62803298       6.46224995       5.00915004       0.12526212       0.22847163      -0.14504739
Li       2.97030005       0.42481990       7.65277003      -0.10528841       1.31985990      -0.08550744
Li       5.79678001       1.03993001      10.71160000      -0.67377679       0.69761238       0.32660706
Li       7.62926001      10.17720004       2.57388003       1.79016252      -2.23764463      -0.59453114
Li       1.65887995       5.78549996       0.18001992       0.96894443      -0.41896443      -0.26009709
Li      10.60689994       4.77524995       8.78825997      -2.77597821       1.33627974      -0.52832121
Li       1.35058001       9.95624003       4.67482996      -0.99183366      -0.53333187      -0.82233204
Li      10.69969997       1.16609005       2.48605000      -0.38071864       0.34360709      -0.45698184
Li       3.66456997       7.46083999       2.30493994       0.09832765       0.47720632      -0.37803952
Li       6.60578995       2.07089999       2.79806002       0.04223096       0.42141837      -0.14592192
Li       3.98193002       8.45829999       9.63069001       0.54720430       0.35398104      -0.90893731
Li       9.47531004      10.63690002      10.57460002      -0.06944450       0.38460798       0.98680150
Li       7.16913000       5.88584004       7.94316999      -0.07926051       1.84609859      -0.57041953
Li       1.01760000       1.82082002      10.20079995      -0.17604024       0.18739414       0.45448288
Li       6.31245995       5.35032002       2.97536004      -0.58645000       0.69360242      -0.51423676
Li       5.96671997      10.40380002       7.37009998       0.31299627      -0.33726190       0.48359410
Cl       6.48233995       4.37215004       4.85652997       1.52334337       0.14160428       0.50206714
Cl       0.13281988       7.11629996       0.24641989      -1.28171248       0.40626431       0.12337261
Cl       0.99446898      11.04546804      10.46970002      -0.35906143       0.23611541      -2.05576900
Cl       6.34888002       8.04608999       6.94297002       0.23032606      -0.37501810      -0.07731588
Cl       2.30012999       6.66319997       6.81332999      -1.23121819      -1.50790878       0.34636056
Cl      10.14019999      10.41199996       8.62548004      -1.10326699      -0.16985927       0.53108253
Cl       2.97793996       8.27484996      11.39040484      -0.18071777       1.14994296       2.06308799
Cl       1.84919996       8.10966997       3.59698999       0.09463802      -0.17342807      -0.15094496
Cl       8.94766999       9.35502005       1.01272000       0.35652698      -0.35088548      -0.28911281
Cl       6.28904004      11.41359995       2.92682005      -2.98944282       1.34129350       0.61026608
Cl       3.80554003       5.31445998       2.59798001      -0.16185424       0.55139359      -0.57160900
Cl       3.91915999       5.88850996      10.12260003       0.50136641       0.64350301      -0.64973513
Cl       4.28772995       2.58936002       3.31873999       4.63801389      -2.70246632       3.10325052
Cl       6.25121995      10.60890000      10.01309999       0.34206841      -0.58980066      -0.12748586
Cl       9.98144000       6.74448000       3.75714002      -0.60533313       3.35089179       1.26036887
Cl       7.55193000       3.96734998       8.29954998       0.28474190      -1.69312569       0.13546747
Cl       2.43426000      11.37309997       5.51857002      -0.04111517       1.43524392       0.74605711
Cl       6.46799000       7.89529000       3.31852996       0.08364774      -0.28583232      -0.17102886
Cl       0.85002902       4.12916004       9.29782005       0.71506064      -0.90418538       1.61974758
Cl       2.46899998       3.08147995       6.96975998       0.65971648      -0.18986497      -0.63842930
Cl       3.26896002       2.40893002      11.00674514      -0.08678242      -0.18768533       0.06831893
Cl       8.93074000       5.14202998      11.07902410       0.44535102      -0.31408846       0.14317923
Cl       8.80650996       1.85938001       3.40178001      -0.05382066       0.58995652       0.67316423
Cl       0.22048895       4.31290998       3.51921998       2.51356408      -1.47328779       0.91770122
Cl       3.76686998      10.00470000       7.64099003       0.24029511      -1.97210257       1.45106596
Cl       9.75617000       7.05056000       7.59290001      -1.63464805      -2.77242218      -0.13390109
Cl      10.31380003       1.69125004       0.26289497      -0.50109989       0.26072351      -0.52913287
Cl       1.16839999       0.26959997       2.66573998       0.60604034      -0.33056188      -0.21656444
Cl      10.31729996       2.10145998       6.76764002      -0.84173144       2.74768495      -0.41687370
Cl       6.11566997       3.44055003       0.62883605       2.84661267      -1.67553563       1.31237158
Cl       5.73627005       1.04403995       6.92562996       0.23534148       0.88122631      -0.60337626
Cl      11.18070000       9.62277003       6.06447004      -0.00982470       0.10024312      -1.59143313
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.75458739 stress="-0.009479681798387655 0.0012744447793654886 0.00042256273198016704 0.0012744447793654886 -0.014278708229169537 -0.0011331259465598115 0.00042256273198016704 -0.0011331259465598115 -0.02156219402499473" free_energy=-225.75458739 pbc="T T T" config_type=melt 
Li       1.21582004       3.51187998       5.81045999       0.15027707      -2.09855089       0.31720866
Li       5.07915999       9.03673999       7.73881003       0.23600086       0.03993330       0.46245621
Li       5.24916001      10.96930005      10.77879994      -0.16863888      -0.20051314       0.64328429
Li       2.62383001       1.05373999       2.02714003       0.21656618       1.13356114      -1.06884643
Li       2.18845002       7.56701997       5.23404000       0.04420081      -0.00203520       0.12750413
Li       5.35542002       7.07492996       0.68142202       0.39711231       0.89815256      -0.28331305
Li       0.79399105      10.94360000       4.45428003      -1.38757545       2.25995085      -1.16997911
Li       0.23621989       9.68513995       7.90271003      -0.60551483       0.13726983       0.24397993
Li       2.55431005       2.34097000       9.57944995      -0.88960145      -0.37725505      -0.21781544
Li       5.48708005       4.22378001       7.59126004       0.19554604       0.20328581       0.20040147
Li       7.14143998       2.19593000       9.97001000      -0.50935895       0.89371449       0.24281073
Li       4.11647997       9.46926997       3.22038002       0.06884124       0.24843337       0.27014553
Li       9.80256995       3.19203997       3.58837997      -0.71002642       0.79920161       3.89001294
Li       6.81533005       0.59893801       2.26508999       0.10765639      -0.02481595      -0.41739871
Li      11.26385914       4.65855997       0.70690895       0.23978818      -0.69934226      -0.23607536
Li       9.96204003       3.48444997       8.43590005      -0.06453731       0.06559732      -0.12503434
Li       9.27093001       7.73980994       6.65325001       0.12950671      -0.90126833       0.00866811
Li       8.07513005       6.48043000       9.35935996       0.47176285      -1.32066379      -1.78119507
Li      10.67700000       5.96903002       4.29848000      -1.98740958       0.54634052      -0.49072590
Li       8.33664002       8.71605003       1.13780997      -0.03438891       0.88391561       0.51826520
Li       5.81582000       7.20215997       4.93830996      -0.11736595      -0.11553687      -0.65017754
Li       2.37029001       6.45181997       1.97009996      -0.18717493      -0.55907457      -0.36361524
Li       2.61817996       6.65087003       9.99129000      -0.35083364       0.37620133      -0.65508555
Li       5.59692998       3.19500005       4.00968000       1.16169061      -1.24637920      -2.54673703
Li      10.10000004       0.68100999       0.57114803       0.26193528       0.66920798      -0.97806496
Li       8.22361002       9.89104003       4.16514997      -0.34919462       1.22658573       0.11677383
Li       7.23271996       0.57875205       6.69625998      -0.71166653      -1.04709914      -1.23033097
Li       8.53557004      10.75480005       9.28151005      -0.48716593       0.24445097      -0.17439690
Li       4.21733995       3.94478999       0.26536702       0.23417532      -2.27796996       1.16576252
Li       2.15758004       9.66459000      10.45770002       0.53623239       0.57368484       0.76004311
Li       3.36155002       0.46731902       6.17633997       2.66492917      -1.93273800      -1.92840279
Li      10.76189999       7.52307005      10.98479999      -1.35512351       1.16860767      -1.94988013
Cl       7.68759003       7.47502004      10.97279998      -0.73801781       0.95906353       2.05868176
Cl       5.10110996       2.40143995       1.72899996       0.09130915      -0.06315758       0.59596286
Cl       4.47487996       8.77129995      10.14220005       0.04987365      -0.33026670       0.38568993
Cl       0.35821989       6.96962000       1.01538005       0.70905471      -0.06925184       1.80099091
Cl       9.35698995       4.37648996       5.71227004      -0.67628771       0.51995995      -0.21618136
Cl       8.29352000       4.25179997       9.82038005      -0.33250839       0.10583155       0.19468411
Cl      11.23611707       2.08235005       4.56801004       1.27304019      -1.33980652       0.63722411
Cl       5.88940005       9.39878001       1.84048997       0.43673013       0.03634212      -0.00605023
Cl       5.93214003      11.19679998       8.79268003      -0.95626051      -0.80936985      -1.86214202
Cl       4.70466002       3.69380996       5.57670997      -1.48015461       0.72767296       2.27474635
Cl       9.18970994      11.17969997       2.09032999      -0.50084157      -1.73251269       2.09086414
Cl       3.88482000       7.15607001       3.32496005      -0.23627530      -0.83981264      -0.71935392
Cl       4.48655003       3.23089001       9.78229996       1.04255342      -0.27222894      -1.42427193
Cl       2.53063000       0.18241985      11.34953606       0.13490945       0.40213606       0.01445129
Cl       6.32027000       6.57801005       6.85813997       0.58418399      -0.42410559       1.42196167
Cl       0.68138304       9.55086996       5.73444998       0.14282989      -2.41812159       1.51833425
Cl       6.18941005       0.45807400       4.51523996       0.32351574       0.02672918       0.30953415
Cl       2.00811001       4.33739000       1.34583002      -1.46125095      -2.28892206       1.58756516
Cl       3.72744994       5.77274996       0.03501994       1.46308897       3.64750214      -0.79583574
Cl      10.27450002       6.96266004       8.95658002      -0.27919012      -0.15622856      -1.24233523
Cl       1.70171005       8.42234996       8.91579997      -0.31273328      -0.90232219      -1.06102115
Cl       2.63285997      11.34456710       3.69943995       1.43226067      -0.53316551       0.24211308
Cl       4.43311995       8.77929995       5.52083995      -0.44770379       1.56935951       1.31178993
Cl       8.73690997       9.76381002       6.60668004      -0.60173533       1.39376121       0.86993437
Cl       0.81785097       5.36500003       5.23602997       2.18046644       2.07687756       0.26170368
Cl      10.41650003      10.13259998      10.36609996       0.34009917       0.14397383       0.05648328
Cl       0.56626699       3.61575002       9.69396997      -0.12664724       0.00122307      -0.09416057
Cl       8.08644999       1.49695995       8.22463997       2.48013359       1.23968324      -0.12371751
Cl       9.33319997       8.16149998       4.13361001       0.55243776      -1.96354604      -0.83280360
Cl       9.95155996       2.86018999       1.81326999       0.16521545       0.04735756      -4.67692455
Cl       7.43712005       0.57600395      11.29790002      -0.12673896      -0.31201074       0.60219605
Cl       2.07662995       1.47149996       6.99745998      -2.32600133       1.99250298       2.11964457
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.8058664 stress="-0.01828091275940306 -0.00015976923310251814 -0.0059917855530850096 -0.00015976923310251814 -0.008690516119906672 0.00850130192462736 -0.0059917855530850096 0.00850130192462736 -0.009003700461436668" free_energy=-224.8058664 pbc="T T T" config_type=melt 
Li       6.41244006       7.82972005       6.61311001       1.32330863      -1.19401762      -0.11584604
Li       3.59811005       5.03272002       1.93799998      -0.42235031       0.22668771      -0.26989331
Li       6.12639996       2.05093999      10.57160005      -1.31857615       0.36550202      -1.18388696
Li       1.85375002       7.41278998       0.64384394       0.11951909       0.06326303      -0.35994780
Li       0.64780302      10.87210004       4.42884996       0.12300994       0.13028389      -0.54580867
Li      10.55329996       4.82162995       0.80002699       0.14142561      -0.40958286       0.20739737
Li       9.67386002       4.72001998       4.30367000      -1.05502107      -0.39127161       1.85743557
Li      10.32110003       8.14851004       6.07626999      -0.26300254       0.21243771       0.72551918
Li       8.21930002       1.93874997       2.32796996       0.39938839       0.49975366      -0.22428641
Li       0.25903403       9.99508995       8.61757003      -0.11436655       0.39633713       0.01359456
Li       2.85265005       7.58965000       6.50012002       0.52198408       0.27918117       0.40650267
Li       8.63053005       8.00165995       1.98090998      -0.01705114      -0.17886799      -0.38322233
Li       6.13948999       0.66851702       7.89916997       0.30410195      -1.12193151       0.27750537
Li       9.15341999       7.77233995       9.52329000       0.16302866       0.46214000      -0.93564264
Li       5.08193996       6.85100001      10.48170003       2.96636670       3.47136767      -1.58119185
Li      10.97050002       9.87769996       0.75718796       0.21926046       0.29163878      -0.09976145
Li       3.90033002       1.86673996       4.09744995       1.51496191      -1.86351027       0.08756630
Li       6.11762004       4.44328005       3.65017003       0.70662787      -0.38321065       0.49756430
Li       0.35625101       2.53547997       7.07131000       2.65567874      -0.01596353       1.86192225
Li       9.18010998       0.42999396      10.34309998       0.09313644       0.25974903      -0.08592927
Li       8.78099001       4.66971999       9.84793995      -0.35931592       0.33402465      -0.12160008
Li       3.95447995       9.32045994       2.77002996       0.03675574      -0.01587577       0.11466647
Li       8.48810001       3.37124994       6.95993005       0.04517880       0.39239769      -0.56944493
Li       1.03923997       7.05065997       4.11795003      -0.33944231      -0.15608832      -0.27968277
Li       1.69953000       0.90401902       1.49311002       1.64336826      -0.27174109       0.02351171
Li       7.90866996      10.44340005       4.41445002      -1.48981193       1.35027153       0.07561323
Li       3.85590995       9.79214995       9.99608998       0.22782553       0.84503435      -0.03092462
Li       1.37099996       2.71984003      10.46380005       0.06027994      -0.63536403       0.38079996
Li       1.08920004       3.58085998       3.45383002       2.07603895      -2.10578263       0.15691809
Li       6.35869001      10.17060005       0.61821199      -0.01878722       0.00413429       0.29213530
Li       4.66087002       4.47904001       7.11817999       1.24924551      -0.35762724       0.44018062
Li       0.47012995       5.50647005       8.72075004       0.14160763       0.86060386      -0.48383684
Cl       1.92317001       1.41178001       4.10205997      -1.50804341      -0.98315883       0.12566043
Cl       5.36721997       2.44422005       8.54829998      -2.77683677       1.24121605      -1.08484734
Cl      11.27570002       0.97593800       0.92798097      -2.71876545       0.66124391      -0.83704981
Cl       9.88121996       6.21814997       7.49766004       0.56766527       0.12116072      -0.04560890
Cl       2.69492999       7.39405998       2.78650998       0.62191384      -1.16033713       0.47315293
Cl       6.37443998       9.73489000       2.85724000       0.16389039      -0.00698617       0.14973469
Cl       7.39153004       1.32508001       0.40520601       1.65540683      -0.44318358       1.95061804
Cl      11.27320000       4.92871997       3.14161996       0.08424986       3.09301527       0.15846158
Cl      10.90310003       3.94324002       9.65770994       0.53172993      -0.01043146       1.01582122
Cl       9.18928003       9.59715000      10.90363610       0.16208006       1.05454772       1.11715248
Cl      10.46200004       2.75747004       5.86801997      -2.87459183       0.94102136      -3.07324172
Cl       8.34055003       6.73982000      11.14820003      -1.90563521      -1.63346801       0.55022734
Cl       1.18487003      10.07829999       2.22293996       0.26666597      -0.26996036       0.56079251
Cl       9.48716995       9.57614996       7.88188000       0.31003445      -0.08821275      -0.83827497
Cl       2.72086001       5.18795004       6.86371000      -1.36271399       0.77495837       0.13167858
Cl       3.73005004       3.77979997       4.01432005       0.87455310       3.05207392      -0.45901076
Cl       1.17182001       8.98854003       5.54337999      -0.18520899      -0.73205784       0.52351037
Cl       4.17945005       9.13530001       0.60608003       0.17216236      -0.50113382      -0.26139775
Cl       2.94697998       0.80167005      10.78969995      -0.25632150       0.40164783       0.27928258
Cl       7.06304999       1.94334004       4.11923999      -0.69897490      -0.65687745       0.81246252
Cl       7.20733002       5.21544999       5.65375005      -0.46882238      -0.03107301       0.07351245
Cl      11.04879211       6.87455005       0.45343498       1.57966008       1.15380348       0.23411169
Cl       5.04653998       9.20724995       6.29639999      -1.55604318       1.46363306      -0.78692249
Cl       1.74898002       4.02942000       1.11347004      -0.12551706      -0.89535842      -0.31462259
Cl       2.02530001       8.66946997       9.51273002      -0.76277624      -0.39295245      -0.53634606
Cl       6.01713998       7.12336999       8.53488001      -0.04487770      -0.64043512       0.51409127
Cl       8.48169996       4.49822995       2.62624003      -1.57088599      -0.18851814      -1.54330416
Cl      11.25890003       1.15583995       8.46707005       0.34766894      -1.83014894       0.96574802
Cl       8.05482004       2.67855005       8.94622996       1.43567438      -0.11265020       0.52714352
Cl       9.21831000       8.97857000       4.21710998       1.51947098      -1.47880438      -0.43104560
Cl       4.01701003       5.61204999      11.16750003      -2.60273065      -3.28151733       1.95281241
Cl       6.04921005      10.81900002      10.10010000      -0.20845489       0.03497073      -2.05222943
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.0282371 stress="-0.012187792529546316 0.003655289868775996 -0.0028608806672708134 0.003655289868775996 -0.010744544594218561 0.0072004953325555355 -0.0028608806672708134 0.0072004953325555355 -0.009962986054577187" free_energy=-225.0282371 pbc="T T T" config_type=melt 
Li       4.37595996       1.27855005      11.00540004      -0.14790812      -0.10938659      -0.00582845
Li      10.30650004       0.46322100       2.99607003      -0.19899966      -1.14018975       0.51305784
Li       6.90257001       4.25753005       7.81941997       0.54063699       0.12241795      -0.02028655
Li       7.69100994       8.21167994      10.35179999       0.39574686       0.62388961       0.31737310
Li       8.68744997       0.94520800       7.63782004       0.09320615       0.20464427      -0.45868536
Li       7.32558005       8.63195002       6.07957996       0.32855608      -0.13802117       0.02070608
Li       6.63940999       5.12778997       4.02850996       0.52763914       1.03692917       0.08378253
Li       4.47991003       7.08744999      11.09860005       0.40990413       0.22811996      -0.19462469
Li       4.49259996       8.50301997       3.35400996       0.16191275       0.77247627      -1.00026111
Li       0.78602303       1.99374997       5.84896003      -0.33655084       1.02009938      -0.53909554
Li       7.70904005       5.14007005       0.39433696       1.05837071       0.11729043       0.18146312
Li       0.23660898       9.52615997       4.65344002       0.54123810      -0.58057130      -0.01035769
Li       3.38366003       6.09270002       7.25205997       0.06983524      -0.00289422      -0.18792027
Li       2.14848003       6.38613997       3.93426005       0.12586617       0.78953299       0.74441056
Li       3.11140997       2.99858999       7.82572005       0.40455570      -1.27039016       0.57620409
Li       8.97411005       1.18395002      11.33440000      -0.21807078       0.07137236       0.68608457
Li       7.00231005      10.36180005       1.48171005       0.11505148      -0.15829581      -0.15952412
Li       2.81214996      11.17850001       3.12454999       1.41497923       1.41646128       0.07139506
Li      10.09799998       3.89044002       3.14735003      -0.11091367      -0.01161704      -0.41543377
Li       0.63872904       9.11139997       0.56788197      -0.35060334       0.21020826       0.16969888
Li       5.53555997      10.32059995       9.27650005       2.25968616       0.02434450      -3.25736808
Li       3.41826003       4.17410001       0.42144803       0.87391752      -1.11658442       0.40083284
Li       6.84594003       2.61703995       1.82394002      -0.02743856      -0.36879473      -0.08197178
Li       8.64330997       7.47159004       3.49217001       0.36574822       0.10722355      -0.10940725
Li       1.22932003       2.76811004       1.26569997      -0.45324967      -0.28402118       0.37484650
Li       5.27233001       0.24200900       5.78402004      -1.56933774       0.31509976      -1.59844785
Li      10.75590005       5.41020999       6.20550006      -0.84316753      -1.25202055       1.26070061
Li       0.75244002       5.31326001      10.49129999      -1.60805182      -0.64223582      -0.56226319
Li       0.65567600       1.46529997       8.91701003      -0.36932388       0.21997717       0.62256582
Li       3.46650000       2.84312002       3.83238995      -0.45162270       0.05386473      -0.02715320
Li      10.28030003      10.00600005       8.78587999       1.57225194       0.87324108       1.62985982
Li       2.53423002      10.17550000       8.15020996      -0.23411075       0.16732245       0.51762536
Cl       2.57302995       5.83248001      11.08249996       0.92637549       2.23036991       0.21996168
Cl       8.37317003       6.24578003       5.37393002      -0.79890430       0.10627143       1.11404409
Cl       8.58031994       1.27882004       2.48859003      -1.79783083      -0.13872816       0.32869177
Cl       2.05529997       4.02690003       6.45251998      -1.54036593       1.92172341      -0.62734091
Cl       4.81998001       7.24871997       4.87569997       0.07235766      -1.46255827       0.83506254
Cl       7.09732005       7.52105004       1.90726998      -1.56119757       2.09155882      -0.82923343
Cl       9.93976998       0.93223697       9.40269999       0.52104930      -0.06891794      -0.50284551
Cl       3.27899000       1.54187001       5.62695998       2.75578809      -0.12566939      -2.34837433
Cl       8.85534000       9.05928003       7.87111997      -1.82828812      -1.30034827      -0.79907422
Cl       4.78744003       4.29267002       8.04762999       0.45512636       0.41261836      -0.11372278
Cl       3.59096001       8.34575997       7.71710998       0.28974644      -0.46993980       0.08498817
Cl       3.80471999       1.73259000       1.69184996      -0.74699059       0.13461006      -0.34372837
Cl       1.45012997       4.70603000       2.93598000      -0.05902224      -1.56088850      -0.98615046
Cl      10.27840005       5.12307001       9.60641004      -0.47560092       0.46000365      -0.52220144
Cl       5.59361004       9.40813004      10.84450001       0.35578786      -3.28620238       3.53569194
Cl       1.52601995       0.58297400       7.15594001      -2.18631473      -2.19853917       2.18841038
Cl       0.87089802       0.58712602       2.89369000       0.10662248       0.99246124       0.00912813
Cl       2.27994999       9.24706000       2.98869999      -0.86246631      -2.21943897      -0.25728522
Cl       0.91685901       9.40783002       9.91942994       0.23325248       0.15957583      -0.46599488
Cl       6.73081997       0.08985519       7.07258001       1.30292024      -0.25972448       0.95646708
Cl      10.03120002       3.09162996       6.45089996      -0.00332839      -0.38137203      -0.46530649
Cl       5.42509005      10.50510000       3.27062005       0.08788158       0.50883278       0.37627707
Cl       5.48987997       3.44034998       3.50143006       0.73426801       0.29579469       0.14737246
Cl       8.51900003       5.34245999       2.43382000       0.78254707      -1.47716951       0.99923733
Cl       5.82945000       5.08446004      10.92610001      -0.42810376       0.04049520       0.11577592
Cl       9.84712003       3.29565001       0.80731105       1.18676276      -0.30590421      -0.67653482
Cl       4.17824997       0.09776979       9.12082005      -3.20005176       2.65947373      -0.62230827
Cl       1.85344002       2.79318999      10.55390000       0.10425326      -0.27887697      -0.47904830
Cl       6.57590005       1.01276001      11.11969994       0.74993026       0.58834304       0.43379944
Cl       0.09556589       6.81423006       5.06619996       1.26153001       1.78337332      -1.01195489
Cl       9.64433996       9.83434997       4.30239998      -0.53158541       0.09007923      -0.23299401
Cl       9.35996998       9.81692999      11.43279998      -0.24590200      -0.24079912       0.39721245
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.8617801 stress="-0.012351262147439769 -0.009821633605003356 0.0017403490625195373 -0.009821633605003356 -0.0054849129402550325 0.0014872963748591983 0.0017403490625195373 0.0014872963748591983 -0.003960803376865753" free_energy=-225.8617801 pbc="T T T" config_type=melt 
Li       2.20974996       3.73213998       3.63633001       0.86176413       0.67428259       0.66433399
Li       0.87010504       9.77533999       3.73192995      -1.84780085      -1.04842639       0.49456992
Li       7.95842001       0.09040834       5.79684994       0.15371983       0.30894170       1.39674698
Li       5.38638997       8.61862004       1.21048995      -0.08508123       0.79388874      -0.80400982
Li       6.16985004       2.39759001       3.43286999       0.97429861      -0.13706009      -0.28309170
Li       1.32592000       7.27614000       1.74789000      -0.06513972      -0.38468574      -0.34004976
Li       7.87723995       3.45186997       6.94321994      -0.23285607       0.45566199       0.91554139
Li       5.05979005       1.35511001       8.77614005       0.62916941      -0.42104333       0.31523510
Li       0.31110995       5.91128994       5.48882996      -0.26813618       0.46682714       0.51784585
Li       0.69266504       9.74314004       7.56224005      -0.46814223      -0.58114338       0.11323634
Li       9.91952005       4.53751001       9.92156001       0.27677621       1.00260605      -0.32235374
Li       1.10824003      10.84950005       0.15703496      -0.22717004      -1.08255267      -0.05516471
Li       4.61854998       9.11916002       6.34091006      -0.92325130      -0.40669657       0.60055652
Li       7.14804994       7.07803002      10.67650005      -0.52924808      -0.73868334      -0.61447537
Li       8.19951003       7.70515996       7.45635997      -0.19069898      -0.01169932      -0.16960116
Li       8.50673004       0.12763194       2.07317003      -0.30232613      -0.17806383       0.17618905
Li       9.26780003       8.66751004       3.65808004      -0.34861473      -0.30805296       0.45354565
Li       3.84542002       8.82677995       9.54726995      -0.34938186       0.22179682       0.37692018
Li       8.14074998       2.29986001      11.27780005      -2.56138755       0.24997980      -0.02548678
Li       9.28152002      10.04779996      10.55139999      -1.55182186      -0.58063628       0.42799971
Li       7.51885005       5.59375999       4.28261000      -0.40132402      -0.33638237      -0.42602694
Li       1.87147001       5.70564002      10.38529999      -0.82831127       0.33488934       0.29860710
Li       0.94070001       1.85064996       8.32222999       0.00968286       0.17876075       0.09521652
Li       4.01448995       0.71144399       2.09059998      -0.34822606      -0.34116915      -0.55929122
Li       2.68904996       3.99445004       7.59397994      -0.89858838       1.57253422       0.22130035
Li       4.84069998       5.89841005       7.19577001       0.80047459       0.21015728       1.06217321
Li      10.23709998       2.06156004       4.64387996       0.27125822      -0.18880273       0.21064507
Li       4.54187997       6.92913997       3.61518002      -0.99640227      -0.59432347       0.19248370
Li       0.60835397       2.84529996       0.46993999      -0.07039698       0.06466712      -0.22653016
Li       4.88369997       4.24078005       0.31611503       0.15114003       0.27575083      -0.21772755
Li       9.74263997       4.76679997       2.25449000       1.79311651       0.85454637       0.27201472
Li       2.58994997       1.03174004       5.42791004      -0.02143635      -0.17231228       0.14888072
Cl       0.51425894       3.34385995       2.67052999      -1.65190997      -1.01931206       0.70215684
Cl       7.90897996       8.79072995       0.07990259       0.06367612       0.53915673       0.59485205
Cl       6.27925997       7.11219999       2.45752000       0.93339903      -0.08370301       0.56642709
Cl       6.51454999       9.41864004       5.91873003       1.28296196      -1.02992116       0.85357942
Cl      10.65189999       9.66599999       2.36201005      -0.43639674       0.97093944      -1.41925153
Cl       3.58431004       5.60479001       1.59756004      -0.43849581       0.19205875       0.26245156
Cl       2.92024998      10.12050000       7.16368000      -0.70759387       0.35275120       0.43902293
Cl      11.15159999       7.14195003       7.77380004      -0.34127691       0.58755654      -0.39810882
Cl       2.02338995       8.24785995      11.22369999      -0.14330341       0.06289215      -0.01495725
Cl       7.60570997       5.73083002       6.49819998      -1.05055528      -0.08228449       0.40794074
Cl       6.65078003       1.61222996       0.96457105      -1.81247039      -1.94194200       0.49234394
Cl       3.58598004       2.19536997       7.50348997       0.37997530      -1.31881401      -0.35965322
Cl       3.64676996       5.29656997       9.31076999       0.63851745      -0.52255155      -0.06814283
Cl       4.67786994      10.33979999      11.11569994       0.17884745      -0.03273636       0.40454986
Cl       5.57968002       7.83989001       8.65885003       0.22244314       0.22852406      -0.35316740
Cl       4.05579999       2.72955005       3.15096999       0.19172436      -0.48224248       0.30190947
Cl       0.82037104       2.50687005       6.06106996      -0.28865605      -0.14577939      -0.86077315
Cl       6.97053004       5.18449001       9.56483999       0.81801357      -0.91385744       0.85939817
Cl       7.38678005      11.00699999       3.94347997      -0.06720867       0.70893196      -3.45436345
Cl       0.58678198       4.04114004       8.81140005       0.00614642      -0.13761070       0.06548328
Cl       9.88426005       2.70238005      10.88820002       3.14333091      -1.12792303      -0.59728471
Cl       2.17438002       1.18717000       0.09513415       0.40769352       0.84271108       0.05483763
Cl       7.84406003       2.74579001       4.98203002       0.49643342      -0.25059305      -0.95430381
Cl       3.11869002       5.90678998       5.90784997      -0.03896724      -0.17502538      -0.81230341
Cl       0.05911785       5.09823999       0.42392902      -0.11051781       1.64131589      -0.42797758
Cl       7.18869999       1.54134001       7.92023994      -0.02155797      -0.38533035       0.49065331
Cl       9.53067001       6.16879005       4.27526999       0.97741125       0.28141345      -0.84943330
Cl      10.98129994      10.66380003       9.92335004       2.12021491       0.89111373      -1.19488941
Cl       8.01988999       3.90030996       1.84948003      -1.15797297       0.62422578       0.29014295
Cl      10.21140005      11.08319997       5.53221997       0.57980940       0.09556196       0.35109006
Cl       2.47168996      10.82679997       3.67228004       2.43452086       1.66382546      -0.22821429
Cl       0.80167005       7.54559999       3.97298994       0.98610576      -0.18690856      -0.05424830
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.98170114 stress="-0.005430565467654588 0.001822307486013717 -0.006581149177382879 0.001822307486013717 -0.010714758677122748 0.0026951967054942064 -0.006581149177382879 0.0026951967054942064 -0.006877354204867949" free_energy=-225.98170114 pbc="T T T" config_type=melt 
Li       1.80558995       0.12960300       4.64260995       0.07658432       0.32518067      -0.75748110
Li       5.22218995       1.18207997       2.87727005      -0.67914664       2.06562334       1.08813062
Li       7.29342997       9.44406001       5.86404003      -0.23898663      -0.17718332       0.09058085
Li       9.41222004       6.91040000       4.11159000       1.24349532       0.44337334      -0.23936347
Li       8.88866001       0.53368803       3.75204002      -0.04436212       0.09327228       0.44040259
Li       2.03564996       8.05251997       6.48525004       0.00638563      -0.36319866      -0.03180161
Li       7.13959997       4.21801004       9.63613004       4.03804442      -1.04193848       3.75044664
Li       5.93439001       0.53008298      10.92310004      -0.39788163       0.19149707      -0.10182652
Li      10.38529999       6.46177005       8.15955003       0.52999558       0.93907102      -0.42868917
Li       1.44053001       1.10147003       8.89693000      -0.24405440      -1.29898181       0.71217040
Li      10.49730005       3.41845996       2.97841997       0.02302791      -0.09937884      -0.31278310
Li       1.38663999       8.25571997      10.19770001      -2.12505961      -2.28164359       0.07896501
Li       6.25094996       5.94106004       6.59958996      -0.45303295       0.12204956      -0.07323494
Li       4.69565001       7.95227997       9.27876997      -0.19125209       0.20799411      -0.59168666
Li       8.93917002       0.30570695       9.60313000      -0.10861915      -0.01729947      -0.33989658
Li      10.95630002      10.53899999       0.46587899       2.35227341       0.81385947       0.38115067
Li       0.86356799       7.77094005       2.84546997       0.87040274       0.06571102       0.18471518
Li       3.68632998      10.87749994       7.57303000       0.56530380      -0.13485127       0.14924560
Li       5.95955995       1.92088002       6.54255000       0.81549150       0.75134903       0.95988177
Li       7.58661002       9.51468995       2.09894001      -0.21107399      -0.18630760      -0.11836800
Li       2.35728997       3.97377995       4.39406000       0.60472023       0.80815175      -0.30348382
Li      10.88630004       9.96026995       6.55502005      -0.24112137      -0.07139829       0.27390475
Li       9.34153003       3.01907999       6.30275005      -0.10746913      -0.29727825      -0.07753564
Li       4.08911003      10.09640002       1.00669001      -0.47673178      -1.01718290       0.06974921
Li      11.32090001       5.42184004       0.12771988      -0.24512258      -1.26666871      -0.23694647
Li       2.73836998       4.75096000       8.22533998       0.73947970      -1.16848957      -0.76638214
Li       3.63285003       6.05767000       1.12131997       0.52759539      -0.30814141       0.31842424
Li       4.63183994       7.69982001       4.24968000       0.49610009      -0.47619625      -0.24275223
Li       9.48948998       2.65805995       0.22719704       0.36875985      -0.08703496      -0.55238219
Li       2.15473999       2.32497996       1.09998999       1.32226254      -1.07535602       0.17632212
Li       8.83867002       7.60112999      10.77740004       0.32905828       0.15260594       0.25702463
Li       6.91702005       4.72496005       3.14723998      -0.10406358      -0.01872233      -0.01459410
Cl       1.87575994       6.50851003       8.63080004      -0.82435320       1.54197364       0.25688929
Cl       3.89994998       7.64450005      11.17709999       2.19591684      -3.35942420       2.45228116
Cl       9.48135997       0.95336701       7.13470002      -0.03949935      -0.54864189      -0.33127726
Cl       4.89574996       3.55236000       2.28170999       0.03350816      -0.05576315      -0.01634320
Cl       8.69631003       1.57643997       1.91507004       0.25157116       0.39252333      -0.00898683
Cl       2.77384998       8.72470006       4.32859002      -0.33700144      -0.22306243      -0.16293329
Cl       5.37178998       8.24682002       7.09541996       0.23792399      -0.00762785      -0.41182960
Cl       5.72253997       0.02201990       8.44800003      -0.05989307      -0.13279773       0.13543219
Cl       0.48868202       7.25447996       0.70053905      -0.94351616       2.41820716      -0.96193982
Cl       5.00314000       0.70672105       5.28498004      -1.12169750      -1.10012566      -1.25906911
Cl       3.62934001       0.49183195       0.15751990      -0.47979384       2.06691299      -0.49207500
Cl       5.95540002       4.69402002       8.46692996      -3.99437243       1.84703596      -3.97047518
Cl       9.65018995       8.58202996       9.02709005       0.08507930       0.03790283      -0.76612736
Cl       6.11626004       7.51979998       2.25210004      -0.07476857       0.17116619       0.09201233
Cl       5.86562003      11.06270000       1.94124001       1.51058442      -1.87149014      -0.64203523
Cl       7.60235002       2.96187002       4.73830000       0.31763794      -0.00679683       0.69464303
Cl       1.65508998      10.58160000       6.58453999      -0.38655872       0.18372112       0.91103414
Cl       9.07454001      10.10059996       0.27156495      -2.69890738      -1.08295220       0.23559087
Cl       0.39287205       3.31258000       1.01856001      -1.75973286       0.57381038      -0.94752264
Cl       2.77691002       9.48512002      10.12869994       0.06610528       5.57786472      -3.03268722
Cl       3.51816997       5.09837997       5.87451998       0.55424001       0.35728608       0.20892094
Cl       0.87441985       2.54336005       4.06242004      -0.66974900      -0.78327713       0.65519343
Cl      11.12879994       7.50758994       6.22425000      -0.17336034       0.12164775      -0.89598912
Cl       1.50471003       2.91145997       8.08659995       0.14479526       1.03282089      -0.56026019
Cl       7.61911996       6.52970004       4.86365995      -1.69023031      -0.18731598       1.72448372
Cl       7.36878996       2.18748002      10.03799995       0.88304541      -0.72005688       0.81060782
Cl       9.22803996       5.35164999       2.50680001       0.46662150      -0.27195662      -0.67945979
Cl       9.83060997       5.15909995       9.69677998      -0.75613638      -0.65116222       0.94121898
Cl       1.97637001       5.66977998       2.43014994       0.51373543      -0.61701851       1.67260687
Cl      11.06270000       0.66730296      10.14319996       0.22743612       0.02305102       0.45147559
Cl       8.92888003       9.72694995       4.03541994      -0.04682322      -0.04492566       0.51393782
Cl       1.24023001      11.01020002       2.49193003      -0.47281010      -0.27401583      -0.35922393
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.4579861 stress="-0.005887809631930438 0.0013550117020906163 -0.005893177148774933 0.0013550117020906163 -0.017429200037918816 0.0010791763764076516 -0.005893177148774933 0.0010791763764076516 -0.02016026345077473" free_energy=-223.4579861 pbc="T T T" config_type=melt 
Li      10.49689995       1.63226998      10.65159997      -0.33614316       0.86395682       1.34463613
Li       1.24362997       0.53407404       6.76826001       0.18187194       0.30834210       0.50365649
Li       7.12319000       2.67316998       9.30667002       0.93957113       0.85623671      -2.18940323
Li       4.42826001       2.81864000       2.28754003      -0.05488272      -0.48819940       0.56965237
Li       8.25840995      10.50229997       7.88567995      -0.21763065       0.40360998       0.31037712
Li       4.86505000      10.85369998       9.47725002       0.41556886      -0.14037897      -0.78791246
Li       1.26221999       4.45763000       1.16484996      -0.12130055      -0.12238514       0.24972556
Li       2.79116998       1.85099996      10.79869999       0.24461710       0.20597807      -0.02361579
Li       0.09799712       4.42602000       8.65069996      -0.12296715      -0.19045057       0.21466502
Li       0.92659104       1.10293998       3.12473995      -1.10253841      -0.53880904       0.47172423
Li       0.56228706       8.78269005       5.85807998      -1.29612033       1.31860627      -0.15926350
Li      11.30209996       9.44372996       8.82138005       0.84017485       0.46759869       0.43894085
Li       8.79968998       3.84414003       6.01269998      -1.58899767      -0.83223644      -2.10141305
Li       6.71373005      11.34724813       1.02929001      -0.39162920      -0.14035542      -0.87940598
Li       3.84661999       2.35256004       6.99366003       1.27096714       2.33275162      -1.69891392
Li       6.48592001       7.97522997      11.18140001      -0.28854602       0.74848780      -0.08093244
Li       2.34388995       6.46663996       9.77802997       0.41742018       0.32434737       0.29744714
Li      10.30269997      10.02159995       2.57362999      -0.37021701       0.58931894      -0.03391220
Li       1.91050004       4.58764996       4.90618005       0.06082221       0.87371589      -0.37616125
Li      10.52690002       6.78523999       3.75261002      -0.04639734       1.24974759       2.19770105
Li       7.73266002       1.88374000       3.06897998       1.37749675      -1.39862772       1.28904823
Li       6.19958002       4.17000004       0.34280399       0.90178924      -0.01172394      -1.46255904
Li       9.68091995       6.11574002       0.57767200      -0.34418355       0.93525555       0.12083782
Li       6.15425002       0.45018199       5.56162000       0.85895498       0.69618523      -4.59568732
Li       4.69324996       8.94180004       6.63095004      -0.21939511       0.46964932      -0.35008517
Li       5.37504996       5.50594005       6.25182996       0.48021250      -0.00659903       0.73728229
Li       3.67213995      10.36859998       3.05084005      -0.39387169      -1.36152551      -0.85723511
Li       8.58562000       6.32850995       7.50959998       0.14406735      -0.10847695       0.25979788
Li       4.92993003       7.28845000       2.65535999      -0.21998014       0.25924006      -0.09158314
Li       1.95227003       9.85103004       0.58593397       0.97646340      -0.52189351      -0.92504022
Li       7.56460995       8.63771999       3.81249002       0.11901023      -0.80302294       0.59596855
Li       7.36436004       5.24226998       3.54977997      -0.61267917      -0.45300768      -0.28389401
Cl       5.19324998       9.00877999       4.41261000       0.15742444      -0.72782799       0.23866423
Cl       6.52156005       4.38799000       8.28493004      -0.80183176       1.20513894       0.20079407
Cl       7.03705003      10.10349997      10.12810002       0.28122076      -0.85065029       0.02824012
Cl      10.63419995       1.19156999       1.72419998      -1.37647509       0.56727137      -0.66190143
Cl       6.43119997       3.81961003       5.25844000       1.32147253      -2.60446003       0.62776361
Cl       4.45253000       0.50941104       3.92171996       0.56521321       2.15084448       0.60178423
Cl       1.39898002       3.95768995      10.40820001       0.51756457      -0.05927548      -0.48811921
Cl       0.81631796       6.98543005       5.24617001       1.31915648      -3.48546825      -0.44575339
Cl       9.69092001       4.12751996       7.68864005       1.14938583       0.37244278       1.08816517
Cl       2.14023997       2.37105995       2.20265002       0.93404632       1.63693537      -0.59717102
Cl       9.62098997       4.60523995      10.72739996      -0.23762504      -0.97657418      -0.67763339
Cl       7.70136001      10.40389999       2.77717003       0.25272211       1.36494767      -1.02331809
Cl       8.21344005       6.29692001       5.27063995       0.34909943       0.55596594       0.06873608
Cl       1.09409999      10.54980003       2.31358000       0.75860100      -1.01466098       1.20156140
Cl      10.02910000       8.74421994       4.38446004      -0.47249331       1.35224550      -0.17911698
Cl       7.66846005       7.02771994       1.42185000      -0.44965542      -0.16624077       0.31260062
Cl       1.80231999       9.84532002       7.07046004       0.06888811       0.12937603       0.51123836
Cl       6.68283003       1.74434994      10.86090001       0.39044076      -0.57796213       2.07892946
Cl      10.68769996       5.56389004       2.32201003       1.12631408      -2.25206230      -1.23397763
Cl      10.64770005       0.19182102       9.20671995       0.27234551      -0.49823360      -0.79356253
Cl       1.75707002       2.97897002       6.31036004      -0.44935652       0.16751531      -0.14094683
Cl       3.28286000       0.88845201       7.97543999      -1.78390647      -2.03251320       2.74529488
Cl       6.68243004       3.27686006       2.10862997       0.56613231       0.49736346       0.82661516
Cl       9.63160005       8.69158995       7.84789999      -0.71624795      -1.01541723      -0.43309667
Cl       4.76450001       5.57296001       4.19868000      -2.05339783       1.50321462      -1.54914802
Cl       4.28510004       7.70412003       8.31159997      -0.09122904      -0.70087866       0.52276192
Cl       5.96798998       0.23181990       7.32989005       0.75703775      -1.22952902       4.08498059
Cl       4.23161998       4.39651003       0.83123700      -1.61246560       1.28791859      -0.75754965
Cl       1.18963000       7.85118004      11.26220003      -0.28795411      -0.21294851      -0.63515562
Cl       4.28624005       0.23065501      11.29439998      -1.89147613       1.29588519       0.68963832
Cl       4.42333002       9.12506998       0.83677803       0.14342054      -1.89696521       1.13235440
Cl       8.85520002       1.02858002       5.23395998      -0.20789943       0.42926682      -0.04811506
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.68583625 stress="-0.014968355946940055 -0.0009235527349420177 0.0012995029343022106 -0.0009235527349420177 -0.009413870733220975 -0.004798978789342724 0.0012995029343022106 -0.004798978789342724 -0.012146007230016374" free_energy=-225.68583625 pbc="T T T" config_type=melt 
Li      10.52000001      10.89720005       6.16358997      -0.64890991      -4.09702274      -4.76256231
Li       3.24895004      10.82129998       6.73054001      -0.32422346      -0.79020578       0.32526724
Li      10.64020001       2.30210001       4.57853001      -1.72032008      -2.04351925      -0.87556908
Li       4.15054000       0.15362605      10.54940004      -0.64209313      -0.17982025      -0.12231388
Li       8.11673002       3.01200996       0.04058951      -0.30839197      -0.02293317       0.34349912
Li       6.81882001       9.77265999       1.00845998       0.50776115      -0.57396910      -0.58258677
Li       3.59153998       4.75440995       0.79882496      -0.41914599      -0.69305175      -0.00869760
Li       1.41375003       4.80942004       6.42698995      -0.90053016       0.60492967      -0.32546122
Li      11.10750000       4.91942003       2.92515004      -0.24721703       0.50477596       1.05315676
Li       0.10274597       2.01049000       0.17050400       0.34157564      -0.22057557       0.12335006
Li      10.59870000      10.21059996       9.44211006       0.85311064       0.08947351       0.14782384
Li       2.13140995       9.42710996      10.09759999      -0.51257533       0.37812425      -0.35223225
Li       9.60277002      10.30400002       2.47005997      -0.50616037      -0.10442004       1.71868267
Li       1.09058997       1.36525005       7.85342004      -0.24589431       0.25316256      -0.63790297
Li       4.75228000       7.04392000       5.18835003      -1.60766674      -0.25288286       1.48818262
Li       4.30613997       7.93477997       1.62514998       0.38713158       1.24403904      -0.75142040
Li       6.91765999       8.74006999       8.59524999       0.08449036      -0.21250086       0.61335298
Li       1.56508999      10.69990002       2.44771998       0.50180783      -1.13983705      -0.64724143
Li       0.31757798       7.72207000       6.93173996       0.12939679       0.01459152      -0.09541578
Li       8.78188996       7.52748999       4.52089002      -0.21190185      -0.12299614      -0.04453100
Li       5.25655998       1.59164998       1.53267004       0.07770782       0.20119184       0.53621759
Li       4.59489997       3.62198006       6.48630006       0.33220728      -0.01114720       0.01946281
Li       0.09436685       5.47413000      10.59720002       0.04732497      -0.19059634       0.04010520
Li       6.93159001      10.51939997       5.04876004      -0.84420822      -0.21975816       0.24771622
Li       7.76290004       1.15462004       8.86020005       0.18171105      -0.38135338      -0.31903449
Li       2.32266005       2.56798005       3.05182999      -0.10369495       0.53120294       0.20299988
Li       3.91256998       7.08543996       8.50686005      -0.14979008      -0.06747780      -0.44509134
Li       7.11546995       2.35289996       5.22437000      -0.30505733      -0.57283448      -1.12426398
Li       8.13440003       6.52426998       0.61435804       0.40047499       0.12191718      -0.49290811
Li      10.70540001       8.27047003       0.88099301       0.00831810      -0.55367052      -0.37623283
Li       8.41878996       4.89758998       7.38425997      -0.43056232       0.43470728       0.41423266
Li       6.53595002       5.15547002       3.12706995      -0.84263658       0.54650746       0.79693617
Cl       6.09908998       1.13907000      10.99890002       1.00503479       0.41908274      -1.06921220
Cl       3.16969002       2.10315004       0.99145204       0.23440385       0.18502378      -0.38616810
Cl      10.24140001       5.68945005       6.71757001       0.17757605       1.07435735       0.20426310
Cl      10.08730002       3.43273999      10.71359995       0.44063584      -0.25946953      -0.48312129
Cl       0.95801406      10.39089995       6.35579000       3.06414739      -0.50239362       0.51880300
Cl       5.94692001       9.06332004       6.73914005       0.49179341       0.06863989      -0.77173543
Cl       5.24418004       3.45960997       4.03918997       0.20884977      -0.14320255       0.39326605
Cl       3.92829003       6.11450004       2.38036000       0.13787783      -0.51215634       0.71185752
Cl      10.28100004       0.64929097       7.35378998      -1.25597322       5.40440919       4.72766983
Cl       6.35645000       7.44548003       4.13721002       1.87148449      -0.17722021      -1.32045892
Cl       2.54459006       9.45082004       0.68922702       0.49196071       0.04430779       1.47061266
Cl      10.03979995       6.96821999      10.55280001      -1.96051263      -0.28102826       0.94558294
Cl       5.67739994       5.68771997       8.01680999       0.04413119      -0.08212326      -0.17682044
Cl       3.74885994       9.34237999       8.76776001       0.63419788       0.88149450       0.19676592
Cl       4.78286005       0.54230504       5.92845999       0.59767569       0.86731999      -0.29478512
Cl       2.60203997       3.55038998       7.45145005       0.48188042      -1.61150243       1.22805203
Cl       0.81980998       0.94614795       3.17572997      -0.83042882       0.66330701       0.39459808
Cl       1.40294001       0.52971704       9.81733996       0.10794628      -0.30095992       0.70067476
Cl       8.88350005       7.94822998       2.18064995      -0.03737654       0.04937908       0.18091806
Cl       8.70788001       0.15623303       4.36526998       0.16953225       0.53673577      -0.08423485
Cl       0.97112701       7.75368998       9.48384003       0.77362817      -0.17641034      -0.88909285
Cl       7.55976996       2.95330998       7.16763002      -0.17214624      -0.58333596       0.84150446
Cl      10.36000005      10.38600000       0.58813305       0.79064641       0.99674224      -1.08470019
Cl       2.48293000       6.66618000       6.45202002       0.55653120       0.94732973      -0.34907501
Cl      10.53179997       8.82875995       4.64385004       0.15905048      -0.17662072       0.20142651
Cl       8.52178998      10.24580000       9.24415003      -1.26387604       0.16430871      -0.04905025
Cl       5.94649996      11.13110002       2.36067996      -0.27945477      -0.34974763       0.82530727
Cl       0.28463801       3.78335997       4.94215003       2.46910993       1.51037107       0.30223129
Cl       1.24209995       4.62104999       1.74985005       0.81135222      -0.12869918      -1.67008999
Cl       6.54180001       7.80939996      11.28224211      -1.10311648       0.60925020      -0.23146715
Cl       7.59284005       4.59748998       1.47886003      -1.85305692       0.31254549      -2.32577762
Cl       9.51167003       3.66561998       2.94432004       0.15445698      -1.92378535       1.23473558
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.16464364 stress="-0.008618851636410048 0.0006103999317576362 -0.008123534903100242 0.0006103999317576362 -0.014239152908503108 0.0024297966275754063 -0.008123534903100242 0.0024297966275754063 -0.010921685332833438" free_energy=-225.16464364 pbc="T T T" config_type=melt 
Li       6.86996996      10.48629996       7.89652998       0.39503424      -0.42466411       0.24664409
Li       6.11891000       3.96911995       8.96939996       0.87667764       0.55203930       1.24771505
Li       1.50177999       6.02503005       6.09535997       0.07980297      -0.45766637      -0.77810203
Li       3.11242995       0.78860994       2.86502998      -0.13273340       0.01323471      -0.54494759
Li       2.03245005      11.06459998      11.03649999       0.10382064      -0.75351821       0.06784171
Li       4.20316002       8.68844003       8.57014001      -0.49934675       0.79600709      -0.02069706
Li       0.10650500      10.15769999       8.69708994       0.14201746      -0.00208603      -0.32162278
Li       0.51803998       2.45092001       0.01621989      -1.83526107      -5.41986102       0.35402998
Li       4.98882994       3.61334997       6.19663003       0.12454480       0.53552544      -1.85471649
Li       9.48426995       5.74790996       8.42510001      -0.11590222       0.29051177      -1.13543137
Li       9.60056005       1.57977000       8.42453998      -0.43200004       0.40837448      -0.72524093
Li       7.74054996       3.29184995       2.58400001      -0.29068131      -0.12607709       0.33217248
Li       1.64919997       3.90438998       3.84156997       0.16168278      -0.46197476       0.09580170
Li       7.88380004       9.92627996       3.22276998      -0.11585137       0.21270241       0.24508147
Li       5.51466001       0.46734401       4.99611996      -0.64265869      -0.23557114       0.47164736
Li       9.01827998       6.55270002       3.98720003       0.15982297      -0.01674275      -0.13320272
Li       6.34598002       9.15887000      11.41759995      -0.87131611      -0.00993254      -0.44092953
Li       0.11162701       5.35744002       1.59643001      -0.28549742       0.33032170       0.10784815
Li       4.47719999       5.96669004       2.38736995       0.37011238      -0.39059520       0.17476386
Li      10.06390005       3.59490005       5.62124996      -0.24875425      -0.18082135      -0.42768957
Li       8.75462997      11.31750005      11.40250000      -0.44207770      -0.10861364      -0.23703390
Li       5.68542001       7.18944998       5.99541999       1.21498489       0.81074022       0.26518930
Li      10.06660000       8.80636998      11.25720000       0.88414555      -1.06324374       0.49370043
Li      11.24929996       0.93785206       4.78143000       0.20140258      -0.16672005       0.80250076
Li       2.04060999       5.29520996       9.29195997      -0.06243574      -0.09911362       0.25416048
Li       2.66529001       9.52848997       5.68370002       0.08097862       0.43725109       0.63561568
Li       1.18168996       8.85076002       2.85469998       1.28900880       0.56131500      -0.03973284
Li       7.89581999       5.78658999      11.34570000      -0.64117139      -0.04551296       0.56710766
Li       3.04361997       1.58598995       7.79391000      -0.42317552      -0.63964923      -0.03173467
Li      10.56889998       8.92718997       5.45197001      -0.42599412      -0.57913575       0.08088259
Li       3.57057996       3.65357997       0.35308997      -1.68231631       0.50238454      -0.44081240
Li       5.04997996       1.22484999      10.59690000      -0.24220838      -0.20232369       0.11663451
Cl       2.30794003       6.01383002       3.21273002      -0.51228609       0.21356150      -0.40967601
Cl       0.58236502      10.48449995       5.13480004       0.47264670      -0.04048586      -0.78021685
Cl      10.34539994       5.76540996       5.75589002       0.09905359       0.19443425       0.57288036
Cl       1.47944001       7.98312003       6.88001003      -0.45628161      -0.85503023       0.38605798
Cl       5.97558002       7.58618997       8.24151000       0.66162020      -0.84957857       0.35149736
Cl       2.20959003      10.62330005       7.82825996       0.88094477       1.46510856       0.14176660
Cl       1.12522001       4.08443994      11.34659994       1.26783239       7.05879857      -2.22974699
Cl       3.57861000       1.50491995       4.84979001       0.01170305       0.22472190       0.98798319
Cl       2.64921995       1.53576998      10.29780002       0.08718765       0.27881339      -0.41645639
Cl       7.19162006       0.68335501       3.91833995       1.28744769      -0.06822418      -0.98443044
Cl       5.24723000      10.35949998       9.88308004      -0.97554348      -0.48954253      -1.50984270
Cl       6.57285996       0.33792995       0.36003801       1.28261874       0.32780904       1.25638360
Cl       8.17509995       4.00393995       8.59461005       0.38861399      -0.81255553      -0.50162835
Cl       2.32950996      10.31539999       1.77554001       0.60849104       0.63916329       0.22049274
Cl       4.34436005       3.62574997       8.15969998      -1.96750272      -0.72091717       0.54888689
Cl       9.57428002       9.71493997       9.52039997      -1.25606018       0.21659713      -0.99700313
Cl       5.48568003      10.06170005       6.19254003      -0.83647790      -0.06244866      -0.33714358
Cl       5.56531998       6.39320001       0.33168696      -0.02197732       0.49446607       0.18149168
Cl       9.20660004       0.02366354       7.01841003      -0.23483360       0.27910962      -0.68440256
Cl       0.72336099       3.16807997       5.91148002       1.24508230      -0.08367110       1.11835175
Cl      10.09079995       1.30749002      10.37589997       1.05714875       0.62415487       1.46695687
Cl       5.40608996       3.08951996       0.38761992       2.20682189       0.26024513      -0.40153036
Cl       5.91317994       4.24270995       4.12300005       0.63277330      -0.03466402      -0.50621256
Cl       9.10654003       5.28239003       1.97473004      -0.17995309      -0.40796249       0.23359817
Cl       9.74850005       6.22074996      10.41419995       1.07673931       0.76621140       0.44422679
Cl       4.04094997       5.98142004       5.98430995      -1.40318335      -0.63642399       0.13260253
Cl      10.91339999       8.00622995       3.13157002      -1.93738294      -0.81633532       0.06291290
Cl       8.02282003       7.99969004       5.39714002      -0.05758554       0.48941099      -0.66143765
Cl      10.42209999       2.35617003       3.60059998      -1.02601559       0.90374203      -1.38850519
Cl       1.04626001       9.14887005      10.43499994       0.15881711      -0.71645589       0.69266692
Cl       8.19543001       9.23781005       0.89490698       0.91213714      -0.58484076       1.62356931
Cl       2.43978005       2.83601997       1.92682999      -0.16725076      -1.32379597       1.95846376
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.1411476 stress="-0.009397551508698187 -0.0011227037560327382 0.002640598523955194 -0.0011227037560327382 -0.009563559929085192 0.0036751450517733086 0.002640598523955194 0.0036751450517733086 -0.021113299545657684" free_energy=-225.1411476 pbc="T T T" config_type=melt 
Li       4.57985001       0.45964999       5.67113001      -0.18960477      -0.29692380       0.18064946
Li       1.99184999      10.80779999       6.87776005      -0.68877229       0.61044222      -1.72162232
Li       8.29821003       3.81703997       9.48029998       0.00241393      -0.10217469      -0.35037431
Li       3.72347998       8.17974000       7.27354999       0.69550965      -0.88256742       0.93022044
Li       3.72092000       3.71881000       8.94813005      -1.68320390       0.22392802      -1.58995468
Li       0.13024901       4.15705997       3.51182002      -0.10123591      -0.32575654       0.27512162
Li       3.04707003       4.38342997       5.83555003       0.12188500      -0.05586343      -0.05152223
Li       7.64120005       3.39539005       5.25883999       0.54702144      -0.43861348       0.08716515
Li       8.26586001       8.10041005       9.99826005       0.09256306       0.26205361      -0.25703434
Li       8.27184001       2.34612995       0.90102397      -0.55957539      -0.31836448       0.37059897
Li       5.41180995       9.12378001       1.78337997       0.41681643       0.43260298      -0.40433446
Li       3.00034999       9.47580999       3.39935004      -0.49289818       0.41283240       0.48546241
Li       6.13223001       5.61493005       7.40214998       0.99470750       0.33865009       0.47505205
Li       0.72708195       7.04458000       9.38173996       0.15663694       1.35185300      -4.54155549
Li       8.13363995       0.78173596       7.43193005      -0.67644202       0.04871951       0.24913143
Li       0.54786201       0.79488503       2.77683998      -0.01095537      -0.05115951       0.12352767
Li       4.88254999       5.67565003      10.98400001      -0.08144740      -0.09718277      -0.60845579
Li       2.28218002      10.52009998      11.06349998       0.07582848      -0.27779705       0.40873129
Li      10.81339994       3.21335998       6.53894002      -1.15283283      -0.58017291      -0.08561685
Li       6.29138001       8.50460995       5.15814005       0.19358095      -0.36763728      -1.31648121
Li       0.74565099       6.90638005       2.03167003      -0.06317440      -0.86365973       0.16050796
Li       5.43562997       0.42706495      10.30500005       1.52279104       3.37705401      -1.79662256
Li       0.33421701       6.95035004       5.31414001      -0.22875234      -0.16900507       0.48551051
Li      10.36920002      10.19140004       6.27234002       0.37821366      -1.30533817      -0.57124315
Li       0.74459399       4.07246000      11.35140004      -0.49165511       0.54747979      -0.39401855
Li       9.73219005       9.94341998       1.85409005      -0.01371484      -0.15960633      -0.31866440
Li       0.83458996       1.40923001       8.62268000       0.07448954      -0.59648705      -0.35105518
Li       8.24019997       6.19120994       2.10369001      -0.04318596       0.25204256       0.36376570
Li       9.52763003       0.28978502      10.14389997       0.33888340       1.23057514      -0.58197348
Li       4.01847998       2.72004995       1.40523000      -0.24108943      -0.14694948       0.01142072
Li       5.20934996       6.06328004       3.75266998       0.18019036      -0.36210475       0.05514318
Li       7.34463999       0.70054696       3.26280003      -2.70557348      -0.18397125       1.37370606
Cl       5.54505996       5.90832998       1.60623002      -0.00635265       0.15880768       0.02540032
Cl       7.52556995       8.42040997       2.39768998       0.61749285      -0.12366875      -0.06403455
Cl       9.02582003       0.88909195       2.41892997       2.79970358      -1.65325444      -2.03673791
Cl       4.49384005       3.24883998      10.69740000       1.00203273      -0.13787817       1.10447027
Cl       3.35281997       9.58659002       5.91240003      -0.18918941       0.40374357      -1.20056367
Cl       6.63681000       1.26581003       5.82923000      -0.47304195      -0.00984553      -0.84819738
Cl       3.41555996       6.48428005       8.61094000       0.14815880      -0.64652684       1.06395467
Cl       0.77166895       6.48008000      11.06199999       0.01189018      -3.23924131       3.99338456
Cl       1.25926003       3.29103002       9.41156004       0.03372588       0.65694966       0.27422261
Cl      10.19049998       0.23555095       7.59637002       0.90873243       0.59076677       1.05922038
Cl       6.43808003       9.13424002       7.00847004       0.40451046       0.29251849       1.91537654
Cl       7.49987999       5.54548999       5.50565998       1.07006265       0.45802478      -0.61357891
Cl       7.54651003       1.01846005       9.71217995      -1.61380353      -0.16264712      -0.15212836
Cl       8.65301999       2.93603996       7.37841995       0.19296791       1.50384681       0.63802387
Cl       1.83290004      10.76119998       8.81004004      -0.18371504      -0.14735871       2.60385598
Cl       4.83883004      10.39000001      11.11790005      -1.43630891      -3.69464456       2.02387268
Cl       7.32148994       6.05981003       9.48376999      -0.26305327      -0.29763131       0.26155720
Cl       2.39386997      11.08349999       1.96973998       0.63515893       0.98785503      -0.01606956
Cl       0.46955502      10.31589994       4.64606998      -0.39997671       0.17088262      -0.12800041
Cl       2.76895003       2.02112002       7.13318994       1.34253412      -0.66464413      -0.96593617
Cl       4.75232998       5.91543004       5.86839003      -2.13355287       0.30571858      -0.62136432
Cl       0.73152700       8.76037999       1.14900002      -0.47846836       1.85489113       0.63454196
Cl      11.23560003       8.03329998       7.60100996      -0.16986255      -0.00694065      -0.74913761
Cl       9.67189000       2.74927996      10.87070002       1.28159667       0.73012040       0.14042542
Cl       6.25479004       2.42722999       1.96828998      -0.37392339       0.02924876       0.41311900
Cl      10.32990001       5.99557006       3.13176996      -0.64386458       0.34622777      -0.39182517
Cl       1.81822003       5.73954998       4.05175001       1.49840538       1.37121762      -2.04662820
Cl       1.49719004       2.84188005       1.45459004       0.19406740      -0.21049785       1.20206211
Cl       5.37551002      10.23070005       3.86921001      -0.01375984       0.15446969      -0.98927063
Cl       0.98623304       4.37498000       6.21422999      -0.96151605       0.26958256       1.13756310
Cl       9.37187999       9.90138001      10.88680000      -0.08689969      -1.65767913       0.72486803
Cl       9.84835003       2.64930995       4.41916998       0.91883103       0.86068842       0.51236849
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.94503901 stress="-0.01582775377619591 0.0007051336571344383 0.008108867518933653 0.0007051336571344383 -0.007325740001211233 -0.003907234513804235 0.008108867518933653 -0.003907234513804235 -0.01917908342380925" free_energy=-223.94503901 pbc="T T T" config_type=melt 
Li       0.64676103       9.93998001       0.59215804       0.62518764      -0.21028464       0.16994232
Li       4.32376997       9.79899000       9.27549004      -0.12717292      -0.17971545       0.10589449
Li       6.90383005       3.41005000       6.94262002       0.29347080      -0.26974388      -0.11698907
Li       6.86519004       0.55518597       7.97652004       0.13481370      -0.11504492       0.37684638
Li      10.20829999       6.86793998       0.75296004       0.99689458      -0.19421214      -0.92573794
Li      10.41269997       0.37706396       8.56725995      -0.31268503      -0.76570492       0.88144544
Li       2.65950995       5.26165000       3.63656996      -3.30115735      -1.95583602       1.16120596
Li       3.71264004       1.73593998       6.76457998      -0.48355600       0.41223542       0.57688458
Li       0.53421298       8.62407004       9.54827995       2.71219244      -0.78054947      -2.22809257
Li       6.47229002      10.25579995       4.91183997      -0.04625218       0.17249612      -0.21737926
Li       5.46243999       0.46483299       0.48600305       0.50427491      -1.82402693      -1.48699032
Li       3.50400998       8.54432004       3.64973003      -0.39341972      -2.96997839      -0.31199620
Li       2.71959997       1.73830001       2.83212005       0.74044382      -1.51451706      -1.30245856
Li       5.56550994       8.16985997       0.63234802      -0.81899312      -1.21431606       1.23431533
Li       4.89657000       4.02745995       1.15693995      -0.69264646       0.22970709      -0.47818771
Li       7.14225005       2.19179002       3.60919005      -0.56761408       1.96129554       0.95294247
Li       9.03265997       0.15671992       0.57344295       0.79888151       0.38181450       0.72106925
Li       6.41066997       7.02311004       9.01003005      -0.24277568      -0.06802699      -0.18390504
Li       1.18655001      10.15819994       5.93761995      -0.39641995       0.21554658       0.18643474
Li       9.60481995       8.08140995       7.20922002       0.02705990       0.23330810      -0.02997505
Li       3.44158995       4.34494003       9.21949002       1.13158522      -0.30674308       1.03796007
Li      11.33150000       3.50888000       5.14215999      -0.42166973      -0.29520880       0.34689612
Li       2.52381999       6.62220004       0.66473301      -0.43144401      -0.11592207      -0.35073823
Li       8.54231001       9.01584003      10.42670003      -0.47864619       2.01077334       1.24037470
Li       0.39473202       3.50448001       0.73149203       0.74657886      -1.06066406       0.46091232
Li      10.05490002       0.11133100       3.44038001       0.24791578      -0.45400922       0.52289403
Li       9.00706997       3.94334997      10.20500000       1.66301066       0.55132811       1.11478024
Li       5.43633995       6.40301000       5.36152005       0.37268947       0.28947704       0.22805180
Li      10.17749994       6.90697001       4.38481004       0.27515032       0.38432128      -0.76244019
Li       0.35996498       3.94672000       9.04017996       0.47914591      -0.00849903      -0.00096111
Li       1.98881999       7.16407001       6.56603000       1.73899029       0.48254528       0.44634526
Li       1.88022998       0.80253698       9.90204998      -0.06806274       0.08422752       0.39145300
Cl       4.76784998       1.66810996       1.83793000       0.44189372       1.55365024       1.98537943
Cl       4.95504001       6.17003003      10.94549998       1.55084672       0.01215196      -0.13440281
Cl       0.41254097       6.59276000       2.26288002       1.60157209      -0.08203174       0.61506817
Cl       6.35029999       9.51946001      10.87260000      -0.21109240       1.16112231      -0.90234785
Cl       4.55724004       9.53832999       2.36157005       1.94657263       0.54003641      -1.86005471
Cl      11.14289998       1.92993004       7.48963000       0.42859475       1.57760591      -1.20396950
Cl       3.74454995       5.74162995       2.25317998       2.91721162       0.45277271      -2.60073857
Cl      10.74559996       8.82610001      10.88410004      -1.83498626       0.51257128       3.16213457
Cl       8.53045996      11.38090004      10.01869995      -0.64095823      -0.15661554      -1.53293126
Cl       4.51790002       8.03105998       7.85026003      -0.05320693       0.32823984       0.00856297
Cl       2.17883997       5.72020997      10.05780002      -1.40013731       1.41872079      -0.02383717
Cl      10.99389999       9.79314998       4.67046001      -1.04085721      -0.33952984      -0.04381575
Cl       2.87840994       9.93755004       4.74253995      -0.38912111       2.27429588       2.18123429
Cl       0.18078998      11.43354206       1.92982996      -0.19464211       0.90493193       0.33519890
Cl       0.07781988       6.72716997       6.78000998      -2.21465846      -0.45652298      -0.14821917
Cl       2.52995006       9.97393996      10.80440003       0.18532780      -0.00731584      -0.01406168
Cl       1.55203997       3.06963001       3.64581005      -1.19308007       1.44590547       1.08994140
Cl       8.84263998       7.52295999       9.28605002      -0.81279837      -2.90795582      -2.12062319
Cl       5.73422001       1.21693001       5.94781995       0.56537006       0.14695709      -0.10211683
Cl       7.55741004       3.20706999       9.12922004      -1.59814457      -1.05353247      -1.03173826
Cl       3.34573000       6.30236004       5.13670001       0.27853832       1.13282587       1.32268652
Cl       6.78085994       5.50911004       6.73630998       0.14140775       0.50090733       0.16895280
Cl       4.02809003       1.26849003       9.08930005       0.53745053      -0.56743434      -0.38058916
Cl       0.63032698      10.18710002       8.05649005      -0.12484894       0.31656706       0.03753760
Cl       2.51313998       4.03451002       7.46664997      -0.45141274      -1.03266672      -1.69885395
Cl      10.92399998       4.98719995      11.14329997      -1.70136845       0.37143310      -1.12876466
Cl       7.82001003       9.37439995       6.45685004      -0.26091915       0.33813236      -0.04253034
Cl       7.83607000       0.50872502       2.97471001       0.94412908      -2.32893657      -1.16868613
Cl       2.57859002       2.84387999       0.17354100      -0.46385837       0.07215757      -0.18883194
Cl      10.79170001       1.71947005      10.76569994       0.44710285       0.43074219       0.13252646
Cl       8.79906999       3.65000999       4.48707005       0.21236991      -0.21394676       0.07876925
Cl       8.99726996       7.22656994       2.27356003      -2.31806780       0.54868849       1.44832333
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.18573201 stress="-0.010885421665491326 0.005069213190705923 -0.003289239707772423 0.005069213190705923 -0.020073285961407533 -0.003156092807967155 -0.003289239707772423 -0.003156092807967155 -0.024862620651716853" free_energy=-223.18573201 pbc="T T T" config_type=melt 
Li      10.69639997       7.42417997       0.64824199       1.37721144      -1.74148865      -0.69860927
Li       6.02095002       9.43386002       5.25184002      -0.49206513      -0.10693543      -0.23682348
Li       4.34767002       3.68007002       7.36406002       0.39628815      -0.54571998       0.70275050
Li       6.20433001       9.94085003      10.01579994      -1.96892324      -4.55481064       0.27967250
Li       7.59418997       0.54317897       7.64764997       0.24681717      -0.71869136      -0.31389563
Li      10.94180000       0.54249501       5.74388004      -0.27639710      -0.31434558      -0.20309326
Li       2.85709005       5.92347005       4.05426997       0.01326438       0.24335987       0.35126651
Li       2.74562996      10.70130004       6.08744996       2.95457628      -3.56784998      -0.89393908
Li       9.86707005       9.71733005       9.90064996      -0.43980650       0.22088811       0.45452043
Li       8.39236995       4.98550003       1.53185997      -0.31490795      -0.38651053      -0.12793113
Li       3.33051002       2.82730998      11.03530003       2.08989905       0.78656678       5.66185373
Li       6.42130000       2.20418004      10.02570004      -0.19843112       0.39576196       1.14646770
Li       3.07283003       7.67647003       7.23565997       0.41234266       0.05936134      -0.15377571
Li       4.70041995      11.20790004       2.08514997      -0.21450491       0.42906459       0.27150436
Li       7.31097995       6.52729002       4.56040005       0.24271071       0.17136262      -0.24314115
Li      10.77640001       3.77975996       3.26008999       0.15678889       1.06487720       0.59438514
Li       7.72115997       3.19786005       5.53142996      -2.15159830       1.05467918      -0.27634518
Li       7.93709003       8.68862002       1.49650000       1.00325129      -2.37900442      -0.89006410
Li       2.39196002       9.08135003       2.98065000      -0.09946316       0.07965200       0.07035560
Li       8.80943003       0.37296903       2.14648995      -0.11931196       0.11816945      -0.20572858
Li       9.72582003       2.57311995      11.00280005      -1.31277118       2.53083500       0.52289903
Li       1.17213001       0.94102904       2.17530003      -1.03371694      -0.99676487      -0.33003356
Li       2.78594995       2.54183003       4.70569994       0.12526924       0.19281084      -0.06140185
Li       2.45115996       6.08346004      10.27799995      -1.62547975      -0.16862346      -0.74195287
Li      11.34340003       5.52767002       7.12411000       0.48033771       0.23278949       0.00459382
Li       8.20791003       7.81989000       7.30062002       2.17378269       0.00131755      -0.30706309
Li       4.74687001       3.40871005       2.59672995       0.15843227       0.82801478      -1.38219997
Li       6.61840995       5.91804000      10.26690001       0.06716779      -0.34509701      -1.60209939
Li       4.25993996       7.23557995       1.19600001      -0.65846126       0.06880625      -3.85413021
Li      10.76840001       8.51818997       4.90730000      -0.10610017      -1.21588896       0.74763993
Li       0.76959105       0.80210397       8.61680994       0.09845351      -0.01657861       0.56654087
Li       2.23854995       9.30456002       9.64612001      -0.94780901      -0.53410993       0.87736909
Cl       2.74389003       2.64275995       9.41074998      -2.06812661      -1.02590386      -5.70825951
Cl       3.44155006      10.33469999       8.33449001       1.06820607      -0.38881684      -0.32784043
Cl       5.01896999       2.25365001       4.18092000       0.72888881      -1.08239517       2.29659064
Cl       7.88936996       9.81692002       6.32400999       1.25585968       2.50093871      -0.27825538
Cl       4.15294005       5.33516000      10.66380003       2.69708846      -1.24809023       0.05825868
Cl       2.90822005       1.91913000       2.07888005       0.91454465       1.00987819      -0.80610123
Cl       6.58453002       7.37681002       6.32145999      -3.40762611      -1.69633601      -1.29069656
Cl       1.57408005       6.74314005       8.48857005      -0.87255874       0.09682453      -0.20018184
Cl       6.90771002      10.21709998       2.04609003      -1.03481823       2.04297979       0.73206372
Cl      11.19172807      10.08349996       8.27826001       0.21797312      -0.32136106      -0.35587117
Cl      10.68659996       1.01056001      10.51359996       1.35456980      -2.09668681      -0.99768314
Cl       2.75727997      10.54639996       1.07401996      -0.15648079      -0.81652120      -0.53949882
Cl       1.89398001       7.93414004       5.44143995      -0.13031487      -0.08847011      -0.68504956
Cl       3.93172003      10.33930003       4.20277000       0.71668064      -0.01586451       0.31394478
Cl       8.77748000       4.80987001      10.57949997       0.67467857      -0.83613938      -0.75933908
Cl       7.29499003       4.63854999       3.76735997       0.17782681      -0.92742270      -0.36738831
Cl       6.14791005       2.78461001       0.79983496      -0.12551429      -0.38356673      -0.40932418
Cl       7.31004997       8.17722004       9.05354995      -0.35122471       0.19063733       2.67397418
Cl       2.05585003       7.28058000       0.38206697      -0.94707888       1.34586591       1.22301397
Cl       1.56486999       0.51226794       6.48297003      -3.00349206       4.42426936       0.25929573
Cl       1.47790001       4.17591997       3.61989000      -0.84369824       0.00710800      -0.49791532
Cl       9.43893995       2.31692000       5.65280998       2.29724913      -1.37656248       0.13169637
Cl      10.02420005       9.22424001       0.75499599      -0.86026096       2.36929761      -0.32919901
Cl       9.93698004       2.53152995       1.82531998      -0.43455694      -1.18260124       0.00500438
Cl       3.02627004       4.60210000       6.04675004       0.21371526       0.32203244       0.57098449
Cl       6.76400997       6.29754997       0.71613196      -0.06073010       2.01437624       2.20696041
Cl       0.12361991      10.06019995       3.83232999      -0.08987887       1.60838963      -0.74195569
Cl       4.69552001       6.94421000       2.94023004       0.15578650      -0.43121890       4.23274855
Cl       6.90337997       0.08458919       9.80220997       2.21988902       3.53180442      -0.02330365
Cl       9.78839999       6.24174002       5.72341000       0.06372859       0.60160986       0.21849129
Cl      10.21129997       6.09898004       2.11507003       0.06571172      -0.51370108       1.16013985
Cl       6.69919999       2.48192000       7.96480997      -0.47288198       1.47974869      -1.49489586
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.93148067 stress="-0.024225317524992813 -0.0040754134689218405 -0.0005311339704701801 -0.0040754134689218405 -0.014683729031230663 0.0003158287129089033 -0.0005311339704701801 0.0003158287129089033 -0.022762327864820634" free_energy=-222.93148067 pbc="T T T" config_type=melt 
Li       0.15491395       7.71754001       7.66125005       0.82375870       1.70927499      -1.18707014
Li       6.88472999       1.13647999       5.66497003       0.81821757       0.18414101      -0.09348989
Li       3.44982004       6.12509005       5.98804995       1.02958344       0.07477367       0.47325403
Li       9.34706005      10.36160000       3.74128996      -0.03648195      -0.05272911       0.52428931
Li       7.05781998       4.98937003       7.39246003      -0.51933703      -0.49218014       0.10489872
Li      10.23529998      10.60569998       7.70822001      -0.73098010      -0.22839570       0.61249817
Li       6.01556995       9.35502005       4.56111003       0.57823378      -0.64655658      -0.70111929
Li       0.43701996       9.15913001       2.23101001       0.68856780      -1.29356566       0.48263645
Li       0.76602004       2.46473997       0.68993700       2.63998182      -0.52126738       0.05081027
Li       9.11586003       3.33597000       3.24396995      -0.40433439      -0.15991454      -0.28974726
Li       7.93965997       9.53023001      10.46479996      -0.77213505       0.14345110       0.05210680
Li       3.26940999       1.39318001       5.31019997       0.71870919      -0.75536513       0.59013483
Li       5.14062997       6.80097998       9.97886994       0.32194666       1.26672783      -0.26511707
Li       2.09626001       2.22925001       9.04274005      -0.44180458       1.94221244      -1.76816318
Li       9.07583995       2.21684005       8.63308005      -0.28552074      -0.69454878       0.14118034
Li       6.65351999       0.73638201       1.38492997      -0.33858281      -0.14483137      -0.59023665
Li       5.44463000       1.86205004       8.58063005      -1.08273420      -1.01735720       1.52114313
Li       3.10392001       7.45170995       2.01945999       0.86640665       0.20390424      -0.32992712
Li       0.23645101       1.64183005       5.33642004      -0.37503970       0.87837570      -0.10851781
Li       6.48997997       7.42113999       1.43846002       0.94027256       1.36788162       1.12451155
Li      10.65650004       4.47041004       7.75649999      -0.85600803       0.09939042      -1.22847119
Li       3.95248000       3.92519995       0.85765403       0.19216974      -0.17395282      -0.46424325
Li       1.52418005      10.08929996      10.26729999      -0.20032250      -0.46693286      -0.23776986
Li       7.37862998       3.98387998      11.36813823       0.17986368       0.21208692      -1.75572753
Li       8.69878001       7.19238002       5.09951998       0.77231230       0.57692988      -2.05975762
Li       9.45131003       6.05878994      10.69080002       2.68633528      -1.71562430      -2.20072285
Li       5.57902002       4.37594999       3.94717995      -1.37032223      -0.40401442      -1.51026547
Li       1.03562998       5.40845997       4.47908002      -1.50117480      -0.93923930      -0.23983844
Li       4.50108994      10.67279995      11.20004311       0.39048133      -0.04346278       0.09652240
Li       1.18485994       5.73057001      10.22210001      -0.28040270       1.76770812      -0.39328832
Li       9.87222004       0.48834096      11.22550000       0.10177725      -0.13719036       0.42771673
Li       4.24316003       9.80834004       7.66834999       0.34929583       0.13870410      -0.27144295
Cl      11.08129999       6.17276002       8.73474001      -0.54969119      -0.20783899       2.58217374
Cl       7.27977005       3.80244995       1.82289998      -0.68288355      -0.30760819       2.11943698
Cl       8.79786005      10.16640000       6.18322003      -1.30976065      -0.34497677      -0.70098447
Cl       5.68212999       9.83540995       9.35038997       0.36214447      -0.02154983       0.34994145
Cl       2.29793997       0.72160696      10.19470003      -0.57566416      -2.33327793       1.16813556
Cl      10.38340002       2.83657002       0.57988805      -2.34497749       0.23490132       0.02005808
Cl       2.63702999       8.79594998       8.70129997      -1.13456840      -0.00614941      -0.01361359
Cl      10.74309995       3.68090004       4.68935005      -0.27122047       0.53476864       0.28158425
Cl       7.10000005       4.94391003       4.92919998       1.12816210      -0.38553013       0.49728404
Cl       2.03896005       4.04489001      10.76370000       1.10024735      -1.37492979       0.87334271
Cl       0.05167054      11.34389999       6.33512002       1.82951987      -0.38643843      -0.38515510
Cl       5.52895998      10.98100004       5.63245996      -1.85217284       0.46940869       1.01759722
Cl       2.72946006       6.32928998       3.79167995       1.28203592      -0.87687786      -1.81731524
Cl       9.98742000       9.67080995       9.73063996       1.03716252      -0.00074930       0.01699742
Cl       4.50666995       1.45434000       0.48495097       0.81724832       0.96940493       0.65427581
Cl       5.21839000       6.31033998       0.43119198      -2.83062524      -2.39909471       0.56629077
Cl       7.67836003       0.66601105       3.26724003       0.62604770       0.42592512       0.95566444
Cl       8.03183004       6.82232005       0.06666743      -1.37228535       1.94363219       1.20160676
Cl       7.89164998       0.82409006      10.30400002      -0.07571680      -0.13117765       0.45249742
Cl       5.97799004       9.78730996       1.50538998       0.39221225       1.40341707      -1.65725481
Cl       5.32012001       7.79822997       3.25978000      -0.21826643      -1.27847110       1.62275009
Cl       4.68274994       6.24544000       8.15899997      -0.16235152      -1.07467347      -2.06303340
Cl      11.21169999       2.58528000       8.15513995       0.86861325      -1.16504575       0.35942502
Cl       8.33080000       4.05853996       9.40397997       0.58615545       2.06661403       0.91741615
Cl       8.17257998       6.68065996       6.85785004       0.51228842       0.84997352       3.14331944
Cl      10.44710003      10.40990005       1.76406002      -0.97682544       1.75890028      -1.12647095
Cl       4.06239001       2.40143995       7.08516000      -1.48583674       0.40043338      -0.04996407
Cl       1.44835003       6.56572998       6.15694998      -1.52162314       0.61961074       2.23520358
Cl       1.87881999       2.08618004       4.01047997       0.36752296       0.33792463      -1.38952138
Cl       1.74151001       8.25367005       0.43471300      -0.19785273       0.03892474       0.24727390
Cl      10.50929994       8.04543997       3.94034999       0.02799808      -0.27654914      -0.10306247
Cl       7.01402001       2.43430999       7.61479002       1.72223070      -0.16133446      -2.48268613
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.98141911 stress="-0.010786409797548333 0.0012438814386174822 0.0033510383438994196 0.0012438814386174822 -0.007699136761738972 0.0019288612565429343 0.0033510383438994196 0.0019288612565429343 -0.006269444660217577" free_energy=-225.98141911 pbc="T T T" config_type=melt 
Li       6.79716995       8.67419004       4.93121999      -1.60529016       0.58929442       1.04408214
Li       9.71457002       0.40602697       5.48311995       1.68835935      -1.48058243       2.76864787
Li       0.90961599       7.33408999       5.01663002       1.18148024       0.86744274      -1.46890811
Li       5.60883999      10.60719996       2.02458006       0.78469453      -1.40544621      -0.06573722
Li       4.55277997       1.10957998       5.03485995      -0.00668199      -0.00143480      -0.27941860
Li       9.94064998       6.11280000       9.66045999       0.56094152      -0.03574103      -0.53002405
Li      10.17629998       9.18164998       3.63479001       0.34120539      -0.27337329      -0.56542013
Li       2.22814004       1.05113003       7.69331002      -0.93944361       0.47980594       0.10824910
Li       7.69622997       4.01246994      10.57809995      -1.05117709       1.45962499       0.15749578
Li       7.21669003       6.76040996       1.33496004       0.11138686       0.08248712       0.73879493
Li      10.02729999       2.05989004       9.76235005      -0.08465901      -0.08886916      -0.33077234
Li       3.98219003       3.03170995       1.21385999      -0.08590509      -0.45270998      -0.09305261
Li      10.52419995       9.16652997       7.96308001       1.36693564       0.52251100      -0.53532237
Li       2.64630998       7.40411003       9.61865997      -0.85126529       0.06066956       0.40068000
Li       7.58719000       3.41777004       3.30088999       0.48656989      -1.24185127       0.34894617
Li       9.76650997       0.88113001       1.80803001       0.01156332      -0.22862397       0.21663593
Li       2.96200002       7.78901005       2.47541998      -0.05732537       0.05285653      -0.72098555
Li       0.03088695       3.99130998       6.76442005      -0.56931675       0.23292522      -1.02516682
Li       5.22239000       2.08980998       9.13090999      -0.40478789       0.47379454       0.30534688
Li       3.59162001      10.79689998       0.00641988       0.35827552      -0.20404933       0.37714152
Li       8.14543004       9.52985995      11.45424300       1.28212042      -1.08762418      -0.36397261
Li       5.97972997       6.16466005       8.13656002      -0.24315657      -0.09204633      -0.06372443
Li       8.97971001       6.12587994       5.13494999      -0.65673546      -0.23053115      -0.48061995
Li       1.98151999       3.74186994      10.44539999      -0.04492954       0.11180888      -0.21434945
Li       0.44647799       9.31260003      11.13910003      -0.06279086       0.05223137       1.35899807
Li       5.16471997       4.74054998       5.05457002      -0.12134307       0.32865363       0.74924383
Li      11.01570001       5.34091002       1.47693999      -1.45241558       0.50120699      -0.03738424
Li       7.88881005       2.15331005       7.12204001       0.20904763       0.18627478      -0.60814692
Li       1.49531999       3.07456997       3.24733002      -0.13237704      -0.79146113       0.77618834
Li       1.45345003      10.88520004       4.28788999      -0.16256686       0.14327335      -0.10443896
Li       3.92087998       9.29393997       6.60722998       0.24058941      -1.36503544      -0.15094016
Li       7.39132999       9.98878998       8.34989995      -1.58881849       1.93821662      -0.90498900
Cl       1.08547002       1.93551005       5.66985003      -0.11604771      -0.69811930      -0.91732317
Cl       8.44704998       2.69136999       0.38588801       1.04881723      -1.98011242       1.27762885
Cl       1.17076003       9.38182995       9.21489995      -0.89936074       0.39720753      -1.86378289
Cl       0.10535295       7.12239002       2.58953003       0.05600049       1.20261271       0.26278623
Cl       8.72190002       8.67955005       8.77401996       0.71328792      -1.90846208       0.82463159
Cl       8.68515001       4.95192001       2.49141001       0.04858294       1.33651057       0.01796919
Cl       2.48490002       8.57185999       4.46132999       0.86427336       1.09988035       0.68109639
Cl       0.73802404       5.94396005       9.92521000      -0.10624011      -0.05362020       0.25953170
Cl       3.71278002      11.29970003       6.74958000      -2.11511636       1.83835362       0.75759520
Cl       1.03496999       0.19259796       1.89548000      -0.18383026       0.24867841       0.66647129
Cl       6.17092998      10.67599997       6.02724999       2.18892829      -0.79716879      -0.45546472
Cl       9.71493997       9.88516997       1.40039002       0.57617626       0.44785302      -0.57639767
Cl       8.86637001       1.27069003       4.07688005      -2.03593369       0.06251082      -4.09902873
Cl       8.13998004       6.52016004      10.71129998      -0.93342366      -0.61146588       0.86785435
Cl       8.45144997       3.35246996       8.81868996       0.31221903       0.94766257      -0.58766794
Cl       4.55392996       4.06727998      10.60799994       0.20082245       0.22570799       0.34866479
Cl       6.53974997      10.64130001      11.38509998      -1.73944995       0.99753117      -0.42951583
Cl       6.53731003       6.66385997       5.96909995       0.03338344      -0.59439855      -0.09835617
Cl       5.24710997       8.12100998       2.74245000       0.13667448      -0.10332705      -0.49154118
Cl       4.69877999       0.87418002       2.55589005      -0.40858833       1.01466347       0.38843057
Cl       3.54120996       3.36825995       4.29203994       0.88323414       0.46149488      -0.25486317
Cl       1.39116998       4.57003005       1.72965996       1.84350347      -1.34680876      -0.78123840
Cl       9.42880003       3.39831000       5.67267001      -0.21010399       1.60032751       0.93858967
Cl      10.87440000       9.60979006       5.70428001       0.23902799       1.18211536      -0.18152039
Cl       9.02925003       0.37080297       8.06078995       0.07822731      -0.18696290      -0.12293975
Cl       8.23688003       8.30590004       3.69212001       1.36492685      -0.87785272      -1.11081964
Cl       0.63458803       2.92327002       8.46642003       0.31803845      -0.65128060       1.99695667
Cl       4.32283999       7.85324005       8.43838998       0.94689854      -0.08599656      -0.74597627
Cl       3.02966003       8.80466994      11.40030001       0.01423880      -1.07175883       1.48785321
Cl       5.47477005       3.75825997       7.32472000      -0.00038188      -0.55302597      -0.17387753
Cl       3.15369998       1.18163997      10.75979996      -0.14603284       1.29253687      -1.00893817
Cl      10.93819998       6.50302999       5.88713998      -1.47493589      -1.93898420       2.31611484
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.38531099 stress="-0.009987249303394653 -0.0052431772383530716 -0.0023369882829337566 -0.0052431772383530716 -0.006751127203815456 -0.0037616665926573484 -0.0023369882829337566 -0.0037616665926573484 -0.008282420819106738" free_energy=-226.38531099 pbc="T T T" config_type=melt 
Li       3.31495999       3.05736002       7.74951996       0.33499305      -0.25540784       0.25596067
Li       7.11708997       4.92370997       8.47672997       0.17832233       0.09551077      -0.17235314
Li       4.14224995      10.06079999       7.16929004      -0.14338962       0.55160243      -0.19560583
Li       8.94722001       1.46688995       2.51322998       0.28453012       0.04047525      -0.00248992
Li       0.71698697       0.88737002       3.90988997       0.45942404      -0.17069221      -0.09139389
Li       7.36854004       9.51428997       0.58394801      -0.22117640       0.18464321      -0.31878281
Li       4.90369998       1.09616998       4.75953999       0.19466915      -0.25066174      -0.01396691
Li       1.45372999       6.82080001       0.85799303       1.10629313       1.86601601      -1.10378303
Li       8.08117998       8.77535005       8.80613003       0.49572602       1.68672879      -0.20506451
Li       4.83118004       7.29961999      10.04170004       0.00886699      -0.48138040      -0.13396932
Li      11.26269998       9.07559003       2.71803005      -0.02576102      -0.08356826       0.17206265
Li       0.88629100      11.05470000       7.29794002       0.61018506       0.13807287      -0.98655200
Li       7.78978996      10.51880005       4.47956002       0.02254303       0.78758937       1.69669619
Li       6.57108001       3.61414995       0.63036803      -0.64889233      -0.32091511       0.68415309
Li       8.79742005       3.26786002       5.38698003       0.67195586       0.37086820      -0.36587171
Li       9.83064998       7.44698002       6.84955001      -0.08796553      -0.18251719      -0.57406472
Li       3.14557995       4.49991004      10.81640003       0.77026291       0.52627485       0.81070277
Li       8.90957006       1.26536006       9.58056004       0.90573282       0.12122489       0.63374922
Li       7.18543003       0.96639903       7.34519005       0.67504002      -0.62230140       0.58102519
Li       5.06413995       0.40705898       9.95223005      -0.30259453      -0.19903356       1.33362141
Li       0.83563997       4.28642004       6.29506004      -1.44848513      -0.16110115       0.00126692
Li       4.58403997       7.60055001       2.28315999       0.07335823       0.00208258      -0.59420023
Li       0.06481996       4.08711995       9.36260997      -0.76476060       0.03336620       0.13928639
Li       9.31888005       5.35268006       1.12737999       4.18068153       1.67337896       4.56451678
Li       0.53108495       3.34686003       1.89143001      -2.01957719       0.03449675       0.00938503
Li       0.21669003      10.69779999      11.04099995      -0.16614065      -0.20946217      -0.00739587
Li       3.24593000       0.59561601       1.83014999       0.26802088       0.11464423      -0.12966051
Li       6.01475003       7.12130997       6.22498005       0.53729192       0.17042962       0.28193621
Li       1.05061999       7.61289005       8.99853000       0.53801243       2.42641738       1.09182849
Li       2.17333001       9.48074995       4.43947998       0.53298035       0.25155000      -0.42665156
Li       2.95140003       6.26452000       6.53600000       0.06031024       0.69240747       0.55015528
Li       3.06065004       4.41102002       3.36415000       0.24859145       0.87404556       0.20127849
Cl       3.65928998       8.34095999       5.71148004       1.00047280      -1.22945723       0.60611872
Cl      11.14820003       4.03771005       4.42471995       0.44834572       1.23840192      -0.46764262
Cl       4.82411999       4.72915001       8.18818000       0.30730153       0.09024051       0.10419084
Cl      10.24680003       1.32155005       4.59088999      -0.16854728      -1.27875515      -0.37282946
Cl       4.58992997       5.22813005       1.13771997       0.09041695       0.17493150       0.24909023
Cl       2.37285996       7.81405996       2.46440005       0.22336476       0.49737219       1.13857717
Cl       0.27298400       5.37529002       1.17393999      -1.78199967      -1.61978537       0.06324085
Cl      10.93670000       8.49646997       0.57151305      -0.38066790      -0.23279900      -0.89317539
Cl       4.71930999      10.93980005       3.20358003      -0.12545727      -0.21978298      -0.08069441
Cl       7.64038001       3.25983996       2.67965005      -0.11529329       0.17113785       0.32441560
Cl       0.65031805      10.98519998       1.91613003       0.84334315       1.05332320       0.38681793
Cl       0.22396400       6.18790995       8.02915003      -1.38914029      -1.32699013      -1.90585144
Cl       2.46903999       2.97159998       2.05840003       1.05166667      -1.88793207      -0.07860545
Cl       2.62120997       6.59737001       9.93264998       0.75641252       0.32043863       0.67955966
Cl       7.86896996      10.05359997       2.58707003       0.80325965      -0.28675633      -1.44204105
Cl       7.47534001       1.41150005       5.41592000      -1.31139350      -0.10882666      -0.81045952
Cl       2.92015999       0.12881987       5.68006000      -0.62937500       0.89655230      -0.36831080
Cl       7.30955998      11.14450005      10.03120002       0.84521131      -0.50304581      -0.10554714
Cl       2.61878997      10.65049998       8.64172997       0.29354241      -0.62897981       1.27079691
Cl      10.23649994       3.32568998       7.53824004      -0.38919973      -0.61536338       0.74380141
Cl       7.93974997       5.77839005       6.25094996       0.13114836      -0.41593835      -0.32511587
Cl       8.24547996       4.79827997      11.37840002      -4.08917243      -1.25164426      -5.68668570
Cl       0.28276796       9.45953003       5.49352997      -0.67510137      -0.45424749      -0.22183160
Cl      10.34209995       2.44279997       0.28599194       0.03328275      -1.01400153      -0.28062640
Cl       2.89540998       4.31303998       5.70458003       0.51228635      -0.59622614      -0.58333275
Cl       6.91836000       7.13057999       8.87310000      -0.90646610      -0.20630164       0.49418705
Cl       5.26529003       0.94065599       7.97737998      -1.15154732       0.72408653      -0.97941700
Cl       2.00318003       3.21630000       9.68612003      -0.19025383      -1.19002515      -0.82929100
Cl       5.05233002       1.49994995       0.52909303       0.05842747       0.14786322      -0.65454441
Cl       7.87783999       9.22663994       6.32268002      -0.05378651      -0.23921594       0.58222129
Cl       5.39483995       8.46628005       0.26579704       0.15291908       0.57664571       0.44797604
Cl      10.89669998      10.51029997       8.66428995      -1.52304854      -0.28970347       1.30918948
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.12423434 stress="-0.011744919296478105 0.0020144667436155866 0.0057613889194007145 0.0020144667436155866 -0.006390272680978071 -0.0031874735554748147 0.0057613889194007145 -0.0031874735554748147 5.0249834478173905e-05" free_energy=-227.12423434 pbc="T T T" config_type=melt 
Li       7.60578001       5.69012999       5.84961005      -0.11999004      -0.41378161      -0.07325411
Li       7.96532001       4.50124998       2.19030998      -0.14703628       0.03098738      -0.09573257
Li       0.39666398      11.38079995       4.54740002      -0.85253458      -1.29873201      -0.78241478
Li       6.14561994       2.60768005       9.96681995       0.28395562       0.14420024       0.26338137
Li       3.90932994       0.11069003       7.27965999      -0.66615624      -0.05320519       0.26613297
Li       6.93228004       1.57488003       6.86433997       0.38327195      -0.23850502      -0.20054825
Li      11.03469999       6.74382998       9.02786996      -3.99924959       1.23140756       1.84098397
Li       7.09930004       7.87581001       3.30360003      -0.17127697       0.45029713      -0.74300915
Li       5.62770997       9.04217005       8.81641005       2.24396262      -0.37450503      -1.19280950
Li       2.26490003       7.98427998       5.54883996       0.71335825       0.60614650       0.48325383
Li       1.06464997       5.07360004       6.69625998      -0.59783650      -0.93482316      -0.88360350
Li      10.42380003       7.73933005       5.16470003      -1.08038188       0.04957521       1.33128676
Li       8.10312995      10.74739997       4.27575998      -0.73071585      -0.78592594      -1.51818835
Li       3.51997995      10.23609996       0.26594504      -0.10539112      -0.04627956      -0.20321028
Li       8.47444995       8.98340002       0.00261993       1.11740662      -0.17600823      -0.54921755
Li       4.65045002      10.30690002       3.92108003      -0.13426655       0.00504302       0.24028023
Li       3.61155994       3.62397003       0.98641498       1.17470457       0.66309300       0.31163062
Li       4.19850001       6.21184003       3.52590996       0.22910688       0.03986736       0.13534541
Li       0.76888806      10.27509995       8.59527005      -0.64847167      -0.25010701      -0.25342480
Li       2.32826998       2.03402995       9.21738001      -1.49939622       0.34341412      -0.06777237
Li       9.24499001       1.39301997       1.51589997       0.28685736      -0.17050008       0.57735706
Li       7.47661002       6.03473995      10.77729996      -0.62905545       0.35637693      -0.08031292
Li       0.95858303       0.85776202       0.37860200      -0.05817023      -0.31105398       0.07949048
Li       5.76292003       3.10291001       3.82459997      -0.78606913       0.18981341       0.00718314
Li      11.14930106       5.08211995       0.85030405       0.28784314      -0.01088882       0.15096918
Li       4.33950997       4.85093002       6.86697996       0.74264851      -1.46956730       0.49577600
Li       2.79204998       6.75011997       9.92352005       0.47124663       0.33828372       0.50250030
Li       1.48002996       8.42900004       2.49797996       0.31255116       0.35646913      -0.86483871
Li       8.66098996      10.50900004       8.31148005       1.57014703      -1.30716614      -0.10195994
Li       9.59864998       2.65899004       9.49282001      -0.09085394      -1.00954570       0.03205787
Li       1.94722998       2.31431004       3.37659998      -0.36997246      -0.11181202       0.09436751
Li       9.83183000       2.93405997       5.86783000      -0.00540555      -0.21892289      -0.19535686
Cl       9.05719995       0.43622595       5.53360004       1.31084048       1.11557372       1.76408037
Cl       6.57812997       3.69964998       6.53346995      -0.34180448       1.11756919       0.27833048
Cl       2.17393005       2.71308001      11.29750806      -0.83205580       0.43969439       0.40745166
Cl       9.30180997       6.40050001       0.75598295      -0.26632566       0.00745995       0.36653654
Cl       7.79251995       2.82659002       3.75095000       2.29323802      -0.47260940       0.34818688
Cl      10.24320001      11.13059995       9.94511004       0.22391133       0.60714709       0.51946357
Cl       7.66179999       9.67504004       1.68507996      -0.99145963       0.37352075       1.57524998
Cl       2.09815998      10.24980000       6.01949005       0.43424602      -1.17301813       0.37438497
Cl       9.94618998       5.50358999       6.03595998      -0.22183352      -0.06810020      -0.24122348
Cl       8.17248999       4.01478000      10.19330001      -0.35634671      -0.15228717      -0.28568915
Cl       5.38084997       0.57941205       5.76045005      -0.71836126       0.03950495      -0.97444646
Cl       2.25731996      11.44289393       9.63729997      -0.33299254       0.06921116       0.16587333
Cl      10.66289997       8.58314004       7.93493004      -0.41622780       0.60135330      -0.93072415
Cl       2.84124000       0.07841992       1.99623004       0.06709996       0.09628442       0.33658660
Cl       1.26647003       1.44423997       5.45636002       0.32889588       2.96765025       0.23031158
Cl       6.38348002       5.79870005       3.67685005       0.63915602       0.00461661       0.09730656
Cl      11.20620000       3.03610994       2.06738997      -0.41189992       0.03745710      -0.15265194
Cl       3.04163000       4.43195002       3.66158995      -0.09705866      -1.04936508      -0.17516859
Cl       1.13907998       6.25014001       8.32719999       4.73144375      -0.79139468      -0.56500127
Cl       4.03353006       9.21707002       9.79179995      -1.67920554      -0.59675728       1.08744514
Cl       0.69081000       7.47266000       4.22148005       0.21222137      -0.80709723      -0.55148773
Cl       6.59551005       9.25436997       4.92311004       0.23655240      -0.51800632       0.49593781
Cl      11.31070001       3.24962998       8.51491004       0.74794231      -0.01312953      -0.83857822
Cl       6.35755997       3.08558003       1.23560005      -1.21995058      -0.22427516      -0.73579584
Cl       4.17924002       2.72338995       8.88140003       1.44753581       0.66142598      -1.17437311
Cl       7.27350001       0.40576398       8.67896996      -1.64879194       1.52570651       0.79251267
Cl      10.65849998      10.89210005       2.38512994       0.34116664       0.35928882       0.22839041
Cl       4.98146999       6.08495005      10.87430003      -0.08376836      -0.37305093       0.02564471
Cl       3.78945003       8.23298997       3.12414002      -0.22706359       0.93721631      -0.27021503
Cl       1.26643999       7.60754998       0.34646098      -0.01791141      -0.38422638      -0.21067258
Cl       7.65955998       8.56205001       9.57490998      -0.20547650      -0.67935322      -0.73937833
Cl       3.96686997       6.81419005       6.53877998      -0.07054618       0.71834519      -0.25463046
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.64490696 stress="-0.008521795907359181 0.004900821905689363 -0.00348309467729814 0.004900821905689363 -0.006507239928887621 5.9932281343647484e-05 -0.00348309467729814 5.9932281343647484e-05 -0.011366752431393363" free_energy=-227.64490696 pbc="T T T" config_type=melt 
Li       5.34201002       1.17689995       7.25613002       2.15480788      -0.91911233      -2.45610783
Li       5.77360004       2.70455998       4.20220000       0.07024986      -0.00487543       0.02937846
Li       3.23050000      10.36969998       4.76648000       0.16801745      -0.16089024      -0.23624393
Li       6.01788998       4.39470005       0.98142595      -0.04566360      -0.06723129       1.84507548
Li       1.16328004      10.47660003       7.47322003      -0.53516430      -0.25729764      -0.01148201
Li       9.05656001       3.66350001       6.40626998       0.19420401       0.22281494       0.00423057
Li      10.76250003       5.30719002       8.90144005      -0.10363505       0.41064261      -0.11079340
Li       3.97604999       8.60303997       1.44841996      -0.32258267      -0.34125377       0.65229645
Li       7.06397997       2.65771006       9.95610005      -0.00847135      -0.46392579      -0.26498486
Li       2.36388996       6.33439995       6.69789994       0.12136147       0.27418279       0.08952385
Li       2.45287994       2.76566998       6.21113005      -0.13561417       0.16398820       0.09456615
Li      11.09959996       5.58931002       4.34424999      -1.35832313       0.86775481      -1.20059679
Li       7.28018001       0.25634096       4.25996002      -0.07423949      -0.17643390      -0.29309344
Li       3.36977002       1.87794996      10.24329998      -1.48942452      -0.18555308       1.33770390
Li       6.15515994       0.38827098       1.13049002       0.16997712       0.31325000      -0.16972707
Li       2.55152996       0.98518199       2.25168997       0.32583682      -0.28024024       0.08483979
Li       3.45572002       5.83477997       9.89052001      -0.09695189       0.27320621       0.07763889
Li       5.84027996       8.94195997       5.98869997       1.03985325      -2.53473194      -0.24899873
Li       9.63381999       8.60026997       9.57867004      -1.31215406      -0.63543608      -0.03673090
Li       5.44664003       5.17500997       7.65551000       1.38954604       0.44968671       0.63073292
Li       9.32711003       3.32197005       2.53525997      -0.73422482       0.25703995       0.66189714
Li       7.50123999       6.49063000       4.00414997      -0.80709559       0.90362952      -1.22288369
Li       8.00454000       8.56104998       0.97114398      -1.90306677      -2.34290752       0.04774830
Li       3.03607005       5.55281004       3.10277003      -1.12526855       1.05539564       0.02823694
Li       0.65752897       2.99301996       0.83533800       0.30482811       0.25528421      -0.40046539
Li       9.67391000       7.98954003       6.22297999      -0.36461743       1.04106144      -0.01643877
Li       0.38409695       6.71951997       0.73355595       1.64573405       0.15220366      -0.10738080
Li       5.86496004       9.33460996       9.76258999       0.26947713       0.11672126      -0.31197404
Li       8.97880995      11.41890000       7.85299002      -0.39205274       0.10267122      -0.12738385
Li      10.56140005       1.91353005      10.05190004      -0.10488272      -0.10067413       0.29953447
Li       0.20036696      10.07460001       0.67034695      -0.60389435       0.11058906      -0.51748869
Li      10.33249999      10.22919995       3.92161002       0.07306062      -0.19473455      -0.14640310
Cl       0.83567505      10.84550004       2.60304000       0.62317563       0.22746729       0.54754649
Cl       0.23829400       8.76833001       6.13290995       0.93555950      -0.00822594      -0.81624766
Cl       4.21352006       7.49153995       8.10055003       0.07514062      -0.07495312       0.10300383
Cl       9.45237001       2.24033001       8.23021000      -0.05049456       0.20302662       0.04687267
Cl       1.30175995       4.99799002       9.78619999      -0.05678582      -0.51842442      -0.19236295
Cl       3.26360998       2.56017999       0.78080495      -0.02355311       0.22859196       0.66366355
Cl       9.81451997       2.91080995       0.53466204       0.21819523       0.10854071      -0.74745788
Cl       5.78175997       9.73546998       1.35757001       0.42197921      -0.78958850      -0.62228177
Cl       0.68327797       5.29928999       2.07401999       0.13883016      -1.62215538       1.52983405
Cl       9.24531996       9.96413995       1.15979995       2.06892850       2.44056193       0.44037765
Cl       3.72794004       4.49230005       6.93648995      -0.95022368      -0.45921466      -0.53151074
Cl       1.11998003       4.92054995       5.39359997       1.32882281      -1.12301662       0.92120938
Cl       2.65042004       7.43605994       0.16282706       0.16147486       0.15387220      -0.10637684
Cl       7.61986996       8.62364002       8.29756998      -0.36811023      -0.09308493       0.01110198
Cl       0.84215604       0.97205195      10.84950005       0.54437560      -0.55957668      -0.06139589
Cl       9.65751998       6.08000998       6.92790997       0.83075721      -0.82953454       3.34486301
Cl       9.43342999       0.59753697       4.85402996      -0.20633397       0.28254507       0.36290860
Cl       8.35081996       8.65175995       4.43227996      -0.51873089       0.06200623       0.13838448
Cl       5.23522002      10.67959999       6.41510000      -0.05124508       1.54750000       0.32096534
Cl       7.14293997       2.11383005       2.37087996       0.41099357       0.19532277       0.08004426
Cl       6.90983997       3.20266002       6.46473001      -1.08095344      -0.41427295      -0.24099628
Cl       7.44188999       6.11281995       1.38779994       0.16631589       0.57502554       0.71067646
Cl       4.35960995       1.89693997       8.60119995      -0.96543892       1.39597735       1.37746170
Cl       2.42451995       0.44370696       6.29990003      -0.76805298       0.46346174      -0.22857695
Cl       4.56196000       4.22774998       3.23090996       0.82924402      -0.17241511       0.09505561
Cl       6.82986000       0.07517060      10.08349996       0.05681064       0.56811351       0.11777728
Cl       8.87525001       5.18210005       4.63191996       0.46125254      -2.40618014      -2.44740976
Cl       5.95026001       4.58411999      10.44850005      -0.37407630      -0.00739485      -2.05884838
Cl       4.72651999       0.37741992       3.43611003      -0.56019279       0.36188365       0.24477180
Cl      10.51700004       7.46615999      11.04429995      -1.24161051       0.13387185      -0.93854830
Cl      10.49660004      10.09380004       8.61999002       1.37491560       1.73249046      -0.22197134
Cl       3.51974997       7.98633003       3.82624005       0.15940407       0.09295469       0.15324059
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.7828714 stress="-0.012992310728892146 0.0009750342376235478 -0.0034685340291791132 0.0009750342376235478 -0.013932882511326182 0.009430574440947428 -0.0034685340291791132 0.009430574440947428 -0.01778198418959229" free_energy=-223.7828714 pbc="T T T" config_type=melt 
Li       5.78706002       7.88645001       3.08141002       0.23634370       0.69789471       0.09222633
Li       8.10773996       3.39218005       3.65506001      -0.39756219      -0.18840003      -0.47715475
Li       1.86101000       0.38638098       5.60518002      -0.51641345      -0.34284717       0.33929605
Li       4.97284002       3.48403003       8.95132996       0.80156839       0.45881648       1.72015605
Li       3.75710001       8.14632002       5.67497995      -0.04459074       0.03033248      -0.15773071
Li       5.36158998       4.23524005       5.75507995       1.50143194       1.11541262      -2.03092028
Li       9.98794002       5.21367004       6.99368995       0.38242353       0.23559457       0.50602194
Li       3.50067995       0.87527004       1.97919996       0.55394157      -0.65733353      -0.03562980
Li       6.57583001       4.97131998       1.37312005       0.04783234      -0.01505994       0.08143495
Li       0.93687003       9.17944001       8.52841003      -0.17469103      -0.58240853      -0.12699051
Li       2.46830995       4.72291998       6.77441003       0.15536751      -1.43286045       4.76367599
Li      10.77300005       5.79986001       2.24960003       0.30595520       0.25657958      -0.43912548
Li       9.56594996       0.64006899       5.26810004      -0.97829202       0.30736745       1.06158376
Li       7.11127001       0.40672801       8.61560000       0.66901263       0.24617744       0.99737033
Li       7.43674998      10.61919997       1.28419002      -0.11270233       4.04916241      -1.11648179
Li       4.35370997       0.63506402       8.09323994      -1.28827863       0.17405052       1.04021350
Li       3.30127003       4.71139998       2.69353994      -0.22978047       0.29555389       0.04580054
Li       0.35514402       7.27613003       5.22362000       0.92601705       1.02905059       0.37963279
Li       0.78895697      11.16659997      10.75960003      -0.13285201       0.17215880      -0.25554406
Li       1.68707004       6.13245998      10.47709999       0.64155506       0.39730354       0.43433436
Li       0.70744800       3.37523000       4.57127002      -0.30551516       0.45829816      -0.06869383
Li       8.83525997       8.09191994       3.91927005      -0.27559618       0.66567042      -0.21091463
Li       8.69460999       6.52889994      10.30309996       0.77002496      -0.78268174       0.51528102
Li       6.41788995       0.41209501       4.50647999      -0.15914043       0.37632899      -0.07178544
Li      11.09240005       3.97648999      11.46218064       0.51874557      -0.04714411      -0.53432225
Li       7.14455999       7.19094997       7.06797997      -0.11153568       0.02161035      -0.86306064
Li       1.89654996       8.30987998       1.42856004       0.96391110       0.49937859      -0.76243028
Li       5.01729002       7.28220999      10.19540004       1.36589295      -0.59759598      -0.10151314
Li       9.27483004       9.83267996       9.42490997      -0.49839733       0.12978845      -0.36464994
Li       8.54445005       2.31533002       0.34963096      -0.80225857      -0.31699050      -0.22007203
Li      11.24730002       0.07038346       2.39142005      -0.37684673      -0.15949619      -1.11763808
Li      10.72989997       1.84152004       7.97892995       0.40756051       0.98998087       0.71088606
Cl       1.71526002      11.18769998       1.29897997       0.21704622       0.02729893       0.08030536
Cl       7.63335998      11.20071113      10.72180000       0.64169840      -0.25487967      -0.59920294
Cl       1.80803998       9.12516994       5.81160000      -0.38163158       0.34738504       0.18141582
Cl       9.33943000       0.36421995       7.77465001      -0.15648049      -1.08859728       0.09058715
Cl       0.83808806       5.98218001       8.69600003       0.23383649      -0.19183123      -1.89822016
Cl       7.32818004       7.51628996       9.13476004      -1.79224788       1.02779939       0.63572545
Cl      10.21260002       3.78733006       9.47356001      -0.68526141      -0.44215204      -1.51403131
Cl       7.45491995       8.96730004       1.98019002       0.42722228      -4.73054285       1.58437425
Cl       1.48369005       4.95454005       0.75098200       0.32868847      -0.39905452       1.34331035
Cl       8.15010002      10.67379998       4.74041000       0.48642865      -2.07389974      -0.08387883
Cl       4.25155005       3.40722004       7.09214003      -1.82434280      -1.65800757       0.33486255
Cl       2.25287996       5.36879998       5.13239002      -0.00534468       1.29282158      -5.17118580
Cl       3.07413994       7.88627999      10.51029997      -0.85701078       0.70925290       0.53480036
Cl       9.91495005       7.78583995       7.84939998       0.55528960       0.13201865      -1.02684210
Cl      10.92030000       5.60017002       4.43194004      -2.06303863      -1.87802173       0.36687213
Cl       9.31454999       4.92888999       0.73937097      -1.32699002       1.09515275       1.01746753
Cl       7.94070001       2.42858002       5.51775996       0.36244849       0.93665687       0.47784004
Cl       6.12392001       4.97680002      10.73600000      -0.42372866      -0.09966566      -0.65830654
Cl       4.27283005      10.21140005       3.06584003       0.22890681       0.28735936       0.50404570
Cl       7.51579997       1.27501997       2.39259996       0.05902298       0.55136122      -0.57498746
Cl       4.83747003       6.45655002       6.51853004       0.37553962       0.51673603       0.67157055
Cl       5.34128995       1.58165003       9.87729997      -0.55363454       0.06909661       0.49406047
Cl       7.44466996       6.58079003       4.78887994       0.50792641      -0.06943434      -0.10084639
Cl       0.81882497       2.55605995       6.56325002       0.75476357       0.27188929       0.72635041
Cl       5.40881995       3.87606003       3.09325995       0.82101384      -5.84205868       2.10035806
Cl       5.97598998       0.48781991       6.93109005      -0.38283480      -0.84688985      -2.16559604
Cl       0.26221996       7.88377000       2.60695998      -0.82298036       0.34251285       0.50194885
Cl      10.59159994       2.06368001       0.74028296       1.02846993      -1.60475240       0.81789452
Cl      11.32582311       0.98932106       4.25910994       1.29066871       0.24864032      -0.48229050
Cl      10.74849997       9.48531996      10.97399995       0.60882803      -0.19894760      -0.04769309
Cl       1.94559002      11.22140003       8.66410996       0.04713737       0.23951724      -0.03286558
Cl       4.95900000       6.06083001       2.42428998      -1.54254033       5.79954341      -1.84109880
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.43268206 stress="-0.0066001005773757455 -0.0013884052926008094 -0.001561008560186825 -0.0013884052926008094 -0.011820378523900629 -0.004000542054345773 -0.001561008560186825 -0.004000542054345773 -0.005049026483709879" free_energy=-229.43268206 pbc="T T T" config_type=melt 
Li       2.49924000       4.02239996       4.66913004      -0.09941878      -0.12266035      -0.31282563
Li       0.15825797       1.96929998       4.18064004      -0.29373877       0.59210625       0.72572365
Li       6.26874998       2.07950003      10.29109995       0.29446574      -0.14172602       0.55775659
Li      10.08540005       5.24412995       2.26407999       0.18338823      -0.96093379      -0.06992038
Li       1.53439002      10.20319999       3.11008998       1.58748375      -4.20166098       0.01822573
Li       7.15392000       7.69227996       3.52853001      -0.05423093       0.22948271      -0.37417758
Li       5.73879999       6.87150996       0.32604504       0.23450340      -2.58510156      -2.10165519
Li      11.21219995       8.19014005       0.88584997      -0.04117575       0.30081808       0.52552449
Li       0.32645604       7.33685999       5.24749001      -0.02115610       0.20081201      -0.27434436
Li       3.68878998       9.04570999       6.16894001       1.88350176       0.39307120      -3.24225831
Li       8.02507998       4.49092995       9.09626001      -0.14298520       0.80800900      -0.09132410
Li       8.39859001       9.73784996       9.91864005      -0.40853422       0.06327462      -0.17891677
Li       9.94002002       4.50937002       5.42981001      -0.45784374      -0.64780277      -0.86292067
Li       7.13941000       1.59009003       7.11425004       0.03134797      -0.26438594       0.32687687
Li       9.33094999      10.86649997       1.85530996       0.55252134       0.74205897      -1.45426385
Li       8.19693000       1.47777001       4.07889994       0.06208760      -0.14368856      -0.13207637
Li       4.57083002       3.20148001       1.33784996      -0.15906959       0.57437060       0.24099657
Li       3.47411996       5.57627995       8.81308002       0.14847474       0.24107832      -1.08356190
Li       3.12590002       1.85463001       8.90067996      -0.56198010       0.30247935      -0.13163927
Li       6.08440000       7.43649994       7.74462001       0.29295679      -0.09992530       0.63398695
Li       4.08240996       1.31652995       4.35818998      -0.40931857       0.01776649      -0.26093691
Li       0.69116299       9.77643999       7.89187995       1.29896081       0.55340386       0.51571415
Li       2.40581999       9.42436003      10.48849995      -0.09531320      -0.57319079       0.09011669
Li       5.18401000      10.19950001       1.13336996      -0.24828181       1.79008103      -0.23049978
Li      11.35030004       1.62550996       7.56424997       0.12796169       0.09866238      -0.69489796
Li       5.80490005       5.05707004       5.37974997      -0.74633094       0.15743786      -0.53417849
Li      10.67550002       6.65910000       8.86598997      -0.17678896       0.11317406      -0.17574995
Li       8.78190005       9.52154995       5.62383000       0.58065146      -0.37573783      -0.50917810
Li       3.56679995       7.52172001       3.09007999       0.49599575      -0.51772440      -0.34347556
Li       7.81795002       3.93143995       1.44426003      -1.55415212       0.69931001      -0.81700864
Li       1.16408002       5.12342002      10.97869996       0.50532970       0.82121440       0.44892654
Li      10.24380005       2.00222001      10.78489997       0.06793762       0.02944353       0.44441939
Cl       0.86557596       0.38217095       3.14921000      -1.54981635       3.21011718      -0.55304659
Cl       0.88183999       0.26554299       9.09623995       0.20387619       0.45874846       0.11499958
Cl       5.91369996       4.40196003      11.42599994       0.82954210      -0.78137428      -0.25595208
Cl       7.04317998      11.19490000      11.46051946       0.18038053      -0.03089764      -0.15372451
Cl       2.98829002       8.78751995       7.81708997      -1.94636109       0.12852469       3.88603221
Cl       0.51050497       4.10276995       3.84037001      -0.66755753       0.82870750      -0.99075810
Cl      10.70200004       5.94952997       6.54610003       0.48338572      -0.30586907       1.36764160
Cl       7.91114006       5.72524004       2.54734997      -0.34322206       0.06597752       0.45393838
Cl       4.53680003       7.08076998       9.89513003       0.14943610       0.47982642      -0.02319765
Cl      10.77420002       8.76727002       6.89337004      -0.79611805       0.34349789      -0.73077012
Cl       8.39195001      10.13119996       3.42539001      -0.85375066      -0.55207371       1.59437310
Cl       4.55246001       5.10442004       2.99085997      -0.47797356      -0.14307663       0.13870135
Cl       9.11055998       2.47304997       1.83804005       1.13602487      -1.32303358       0.38845311
Cl       5.90089998       7.81583004       5.50064998      -0.11052066       0.07917312      -0.21667192
Cl       7.79769000       7.42950994       9.58935005       0.63028262      -0.08257058      -0.03663185
Cl       4.17734005       1.10670004       1.87679001       0.05308261      -0.23065064       0.27288803
Cl      10.91889998      10.46200004       0.39076996      -0.40904305      -0.17438748      -0.34284317
Cl       5.70674999       8.31087004       1.52056995       0.72768299       0.75373851       2.78649714
Cl       9.79627996       2.36137997       5.66551997      -0.56018112      -0.97539410       0.33519911
Cl       3.67572999       4.68041994       6.23401997       0.57991881       0.62964107       1.35104844
Cl       1.75141997       1.91328001       5.90567004       0.56393571      -0.32254026       0.59006908
Cl       5.19420003       1.36214002       8.55976002      -0.07133406      -0.15842125      -0.25997099
Cl       7.27257002       4.83074004       6.91382003       0.48565648      -0.21476722       0.49224374
Cl       2.81948996       4.14196002      10.16759997       0.05388931      -1.66191212       0.17965763
Cl       2.61315998       8.98266000       1.62553002      -0.08531463       0.25917041      -1.32563822
Cl       8.44777005       2.40498998       9.52987004       0.04890185      -0.56491503      -0.41003393
Cl       6.14965995       1.39789997       5.08605999       0.20058704       0.15860545      -0.21755155
Cl       2.29613996       8.41758999       4.64628001      -0.51203251       0.04591377       0.07554126
Cl       0.75860804       7.51199005      10.52570005       0.30944224       0.04234102      -0.55652948
Cl      10.58349997       7.11351002       2.94221004       1.05100521       1.61086588       0.18650834
Cl      10.73609997       4.68356998      10.38020000      -1.43477349      -0.74774381      -0.12802909
Cl       8.01751000      10.39840000       7.28591995      -0.74628111       1.08126205       1.33509930
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.51013945 stress="-0.007149738125800519 0.000785355343265286 -0.0006895241858218982 0.000785355343265286 -0.024859240219166728 0.0013157909387963528 -0.0006895241858218982 0.0013157909387963528 -0.01504778029276309" free_energy=-225.51013945 pbc="T T T" config_type=melt 
Li       5.34758006      10.00189996       1.05311003       0.19627747       0.37788069      -0.00247371
Li      10.37119996       9.08844000       5.06764996      -0.44341102      -0.98058699      -0.50762804
Li       0.83867503       5.56912005       1.19657999       0.19290589      -0.31126918       0.39142705
Li       5.36738999       7.05218002       6.75385996      -0.73012704       0.56354711      -0.08801192
Li       1.93852000       4.17511002       9.07700999       0.12853860       0.05204938       0.18116512
Li       7.14846002       2.51845001       8.97042005       0.29397686       0.66987222      -0.16731947
Li       0.36667904       2.44464996       1.02844005      -0.04211240      -0.40909325       0.16187979
Li       6.18541005       7.28248995      11.28679996       0.60834459       0.19430267       0.21762776
Li       4.96735001       0.36046597       6.35025998       0.35854525      -1.48520776       1.25629661
Li       5.32012001       4.57401996       3.63567998      -0.09393339       0.40931960      -0.06157380
Li      10.37200005       2.65927998       8.46936004       1.27293237      -1.61544081       0.25350783
Li       8.23698998       4.41506004      11.44748114       0.47161105      -0.23123333      -0.10285245
Li       0.85775595       3.20724998       5.34096998      -0.26542181       0.24173543      -1.45858842
Li      10.17060005       5.65627001       3.31416998      -0.24455758      -0.23443754      -0.05443852
Li       6.98500002       7.38735005       4.21856996      -0.09995582       0.36759992      -0.10755774
Li       1.43546005       9.59841004       0.60091904      -0.19205744       0.45110054       0.73459500
Li       9.37083995       0.31112600      11.04190001      -0.22024324       0.01863244      -0.35705167
Li       1.45650996      11.09709995       5.85243004      -0.78008331       0.11637847       0.41900097
Li       8.65698995       6.14564000       8.00617000      -0.13486860       0.61896506      -0.63812077
Li       9.34334001       8.06427005      10.59229995       0.27277255       1.28096553       0.26011682
Li       4.54340001       3.50017999      11.34630004      -0.69624576       0.00470998      -0.01364476
Li       3.01094998       0.86370900       3.12344999      -0.00163066       0.61606813       0.49493139
Li       2.06839000       7.12551002       5.93024005      -0.24114598      -0.23363293      -0.02787058
Li       3.00707998       7.18494005      10.18099999      -0.34837318       0.55792556      -0.29634202
Li       4.43831005       3.69640995       6.73173997       0.41735280      -0.69070968       0.12110499
Li       6.98451004       1.91705004       2.48551003       0.98967762      -0.24440789       0.24601037
Li      11.00250003       9.99488004       8.42013002       0.54150657      -2.10942721       1.50037626
Li       9.24322004       9.52812999       1.94189004       0.28144107       0.66344856      -0.40238907
Li       3.45042994      10.08360004       8.74630002      -0.08203128      -0.35072603       0.22626693
Li       8.10245000       3.79472004       5.95814996      -0.14465869       0.23132174       0.02252881
Li      10.33409995       0.94774905       3.63043003      -0.34638915       0.06362982      -0.59046503
Li       7.23534000      10.36089999       8.87868001       0.89024577      -0.95211850      -0.13692773
Cl       8.73043002       4.19372996       2.10141997       0.34786727      -0.05679457      -0.02890200
Cl       5.61838997       8.85343005       5.08188000      -0.62205340       0.24648659       0.47289203
Cl       9.02829999       2.31798996      10.24509999      -0.82676778       1.12709484       2.00759145
Cl       0.04242792       9.79937004       6.55890002       0.86503795      -0.71870981      -1.07238367
Cl       3.16670002      10.81030000       6.69537000       1.37930925      -0.26388147       0.84989281
Cl       3.52475001       5.19104001       5.58745005      -0.03330633       0.10884904      -1.06970571
Cl       3.16596000       7.30774003       7.94132000       0.20642679      -0.19918549      -0.22652860
Cl       6.40441999       6.46747995       2.31991000      -1.00025594      -0.54522988      -0.75966099
Cl       8.74590003       8.64829006       3.75578999       0.34604690      -0.01976321       0.37052902
Cl       6.20327002       0.66447896       8.63543997      -0.81284685       0.59535317      -0.48408261
Cl       8.83436002       6.19082004      10.16150005      -0.81962670      -1.95904598       1.40353336
Cl      11.28134709       6.49032001       5.02569001       0.35876225       0.26513272       0.33025617
Cl       0.91966799       0.53762005       4.19726004       0.28045186       0.87349242      -1.22164809
Cl       9.04140996       8.42770997       8.26907999      -0.13604977       0.93647028      -0.14178688
Cl       1.71474000       9.20063001      10.03059998      -0.05402479       0.39858602      -0.86133980
Cl       5.31317002       4.23315997       8.74132005       0.06437365      -0.19650289       0.80095506
Cl       0.34921986       7.67000004       0.98641796      -1.09344322       0.17586727       0.54465833
Cl       2.50904001       5.36860004      11.27339994       2.11978721       4.96653409      -0.03249793
Cl       2.01348000       3.07779005      11.08380001      -1.14532868      -5.46003747      -0.53836074
Cl       0.95557297       3.01437000       7.35338999       0.34527187      -0.07786544       1.34689180
Cl       9.05525996       4.03346998       7.98454997      -1.25161822       1.04445480      -1.74858017
Cl      10.69789996       0.26979005       1.25859005       2.49438181      -0.14592194       0.38843247
Cl       7.59928997       9.02351996       0.58630197      -0.33073470      -1.57475341      -1.30075998
Cl       9.16186997       2.34801996       4.78077000       0.06306584      -0.24610824       0.11117380
Cl       7.10361004       6.01109005       5.93820005       0.61816689      -1.11574350       0.25905565
Cl       5.55955998       1.80333997       5.21575001       0.39184981       2.15839366      -1.03386052
Cl       5.06091000       2.79002997       2.14027998      -0.72225775       0.38062542      -0.69848589
Cl       0.87780204       3.65404003       3.05245996      -0.11251446       0.43364295      -0.66070560
Cl       7.99242994       0.14153800       1.41526996      -2.23135469       1.45715628       0.91985952
Cl      10.14660004       0.19903905       8.72591000      -0.94561967       1.53359299       0.41557479
Cl       3.02984999      10.98489996       1.52806002       0.79456760      -0.77806398      -0.65093588
Cl       5.42621997       9.24482000       9.57086000      -0.34644613      -0.99528703       0.83534879
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.65429833 stress="-0.012821471161988885 -0.0024893697350348958 0.0039185510938645205 -0.0024893697350348958 -0.019258114997704502 0.0006604660723807262 0.0039185510938645205 0.0006604660723807262 -0.016853207174198706" free_energy=-224.65429833 pbc="T T T" config_type=melt 
Li       4.96787003       0.76290095       2.53019000       3.02817934      -0.19183502      -0.07555359
Li       6.14785995       4.12982003       0.15280097       0.27535068      -0.22265429       0.16177679
Li       2.92363997      10.63299998       4.12819004      -1.59459452      -0.49644448      -0.42354341
Li       6.38713002       9.39254997       9.92982002       0.58968024      -0.10443432      -0.12352455
Li       7.56726003       4.15400004       7.30795005      -0.08150031       0.17552369      -0.26026538
Li       5.45525005       0.67930697       6.71018999       0.14372328       0.57740818       0.39232012
Li       3.46654998       3.85497000       2.42341995       0.95154048      -0.68299708      -0.45133098
Li       1.62677000       0.48846397       0.81031400      -0.26038644       0.54313941       0.38079328
Li       7.86114995       2.94920004       3.56977998       0.38941223      -0.30028751      -0.88297262
Li       2.65980997       9.61057994       8.78103002      -0.30345782       0.50595569      -0.20291925
Li       1.06711995       6.85413997       8.27110997       0.39612619       0.19327062       0.31072540
Li       4.27363003       0.91934997      10.14090000      -1.17066788       1.56519963       0.74187108
Li      10.38930000       4.98823999       1.62018996      -0.27425423      -0.25071621       0.50131141
Li       2.09270998       6.70109997       3.56323995       0.33949639       2.39347885       0.78234224
Li       9.08505001       9.01368005       7.13302004       0.22712278       0.99631786      -1.69385032
Li       4.01750999       7.14143001      11.38469999      -0.40408058       1.01349630      -0.96918072
Li       4.92410996       6.82984005       7.05205999       0.00304690      -0.07462157      -0.36935614
Li       6.40257997       9.40155998       4.84307997      -0.03209977      -0.11321090      -0.61859573
Li       0.58996997       3.96344994       4.74664003      -0.77528811       0.08959634       0.75374429
Li       3.10898000       3.64768996       7.09719004      -1.24200612       0.39578660       0.08275270
Li       1.77092999       3.40222998      10.41459994      -0.13839830       0.35788768       0.85063066
Li       0.88279795       0.74436195       7.04734003      -0.32321472       0.43839382       0.18136595
Li      10.25910005      10.66460001      10.06180002       0.00113654       0.18722172      -0.09495325
Li       0.56675595       8.70481996       0.29025803      -1.44986104       0.93240357       2.01274378
Li       5.65446003       5.84607000       3.47345996      -1.48275991      -1.87820697       0.48390431
Li       9.43641002       3.04999995      10.38349999       0.19074168       0.29944615       0.52872646
Li      10.69000004       9.93598998       3.92307997       1.94342723       0.51376077      -0.11696576
Li       8.78271000       6.81931997       4.74713999      -0.08240943      -0.41204508      -0.29373071
Li       7.25540995       7.88157998       1.47558996       1.61914154       1.26575736       0.29548631
Li       9.11512001       0.90953505       5.77093001       0.47797977       0.03068097       0.09266094
Li       8.32152001      10.95859998       2.26165999       2.33844345       1.43143834       0.49119867
Li       8.76797003       6.76258003      10.44960005      -0.04874037      -0.48345041       0.05886852
Cl      10.85100003       1.56090002      11.40720001       0.20499418      -1.34217957       0.15399222
Cl       2.00745999      10.40729995      10.88010004       0.44299438       3.96512111       0.56626736
Cl       4.65446000      10.95440004       5.11328995       0.87477610      -0.56604129       0.84053127
Cl       9.28061996      11.20364908       7.82935996      -0.14026913       0.62227322       0.06973710
Cl      11.06000005       4.73529005      11.04150002       0.68693454       0.73487226      -0.63169497
Cl       9.07475004       9.06446005       4.81483003      -0.86904108       0.08783554       0.47671329
Cl       8.80082998       3.12559003       5.35904995       1.23923194       1.51457984       2.12961622
Cl       1.24281005       2.49840999       8.62590995       0.24817559      -0.60226183      -1.19876584
Cl       1.73879997       8.02989005      10.40939998      -0.70102385      -5.06157831      -0.70676739
Cl       3.94325997       7.07459005       5.03299998       0.12281895      -0.02601953      -0.71216297
Cl       3.08893001       0.94894294       2.70240997      -3.02293776       0.50146085       0.10756827
Cl      10.66189994       5.85824002       3.87638997      -1.00248994       0.34147599      -0.07386356
Cl       4.11091005       2.47612996       0.11111994      -0.24089884       0.22282322      -0.27501429
Cl       1.54076004       9.13318004       2.89404997      -0.53294174      -0.24625287      -0.11820808
Cl       6.64884005      10.18329995       2.01814997      -2.97579878      -0.43207147      -0.90503144
Cl       9.06817998       8.24092005       8.89609001      -0.06482054      -1.16222187       0.64556162
Cl       7.10688997       6.36753997       6.19932001      -0.01806274      -0.29187159       0.85372059
Cl       3.43700000       7.63788000       8.47400995       2.34234803      -0.91013790      -1.35629181
Cl       8.36865998       3.64328000       1.14329001       0.76264274       0.03848019       0.15768101
Cl       1.70285005       5.37153994       6.71590001      -0.48707629      -0.55078343      -0.29026643
Cl       4.93232996       2.88728995       7.58441002       1.26222383      -0.66388805       0.07374019
Cl       9.56690998       8.89364995       0.20520396       0.69325916       0.52132214       1.39684882
Cl       6.54835001       7.68223002      11.18909999      -1.40147022      -1.00610434      -2.43925463
Cl       6.04499005       3.54040001       2.82884000      -2.38584307       0.32225864       0.62393797
Cl       7.32904995       0.86356696       4.41252001      -0.07238183      -1.33828185      -0.54368990
Cl       1.28166994      10.15390004       6.86415000       0.58151372      -1.10227777       0.67378220
Cl       7.74168000       4.46950998       9.66165996      -0.24154378       0.15945834      -0.68802616
Cl       4.41643002       5.44946999       0.98667705      -0.21946260       0.02358960       0.49968828
Cl       0.07091987       0.72739699       4.88389005      -0.59692092       0.43781399      -0.62705773
Cl       6.71040999       7.44257005       3.26096002       0.91838082       0.72017093       1.64950125
Cl       5.05575004      10.88380002       9.24807001       0.83524753      -1.38882859      -1.72054864
Cl       1.76474994       4.81110999       3.20751996       0.50661245      -2.21799528      -1.15872434
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.97327943 stress="-0.021257507417000002 0.003361425787945189 0.003527027598978681 0.003361425787945189 -0.015827135866792446 0.005652044158201712 0.003527027598978681 0.005652044158201712 -0.017120914326101744" free_energy=-223.97327943 pbc="T T T" config_type=melt 
Li       2.21596005       3.21578995       6.87018996       0.02262673       0.49045106       0.93073606
Li       2.75695002       7.67983995       0.92355300      -1.82658973      -1.52408445      -1.33212303
Li      11.04360005       7.17855995       7.53631003       0.08850770       0.06889579       0.10743812
Li       4.64425003       0.02972401       6.71811995      -1.76972740      -0.55961435      -0.35786410
Li       5.85824002       4.72235995       8.62879998       0.41884648       0.21377096       0.44190588
Li       6.87266005       7.79200005       1.23694996      -1.32022990      -0.00147104      -0.09360076
Li       1.77181996       9.77326003       7.07582005      -1.89215593      -1.31830806       1.87267926
Li       5.20158004       0.88850303       1.53062000       1.22252995       0.27551477      -0.41077747
Li      11.23829998       8.33872996       0.20025403      -0.45190628       0.10097441       0.56717921
Li      10.90399997       1.32758003       9.16415996       1.43484184       0.38794612      -0.20161298
Li       5.58166002       8.90979005       8.67019004      -0.05462448       0.54447277      -1.11648733
Li       8.87700004       1.14901997       6.33443996      -0.55756279      -0.34652399      -1.71315817
Li       5.87445005       4.37285005       1.19887996      -0.68060905      -0.30613055      -0.34974542
Li       9.97965995       4.83910003       0.59711600      -2.56682196       1.19908887       0.63748037
Li       6.74027995       2.35367999       4.34442998      -0.01434533      -1.57852432       1.47034939
Li       2.99195997       6.58581998       7.18425001       0.82672957      -0.39055459      -1.04901453
Li       6.79248002       1.85903998       9.50843000       0.35675442      -0.07226507      -0.63528569
Li       2.73263004      10.58889999       2.74249999      -0.55331806      -0.56480176      -0.16263855
Li       0.48658704       1.08570000       4.63261000      -0.05473433      -0.46056018       0.32619767
Li       9.59316994       8.97092998       3.09328999       0.35596989      -0.42172746       0.04412766
Li       3.37941996       1.32679002       9.88327997      -0.37654831       0.37596099       0.66967590
Li       3.14296002       4.03293002       3.66920005       0.69968014       0.90414526      -0.67714867
Li       1.04151999       2.16285005       0.78131201       0.20098696       0.11358265      -0.43356999
Li       8.27499005       5.65259995       4.50907997       0.15174005       0.26963203      -0.03605162
Li       9.56236004       0.37140599       2.45145000       0.06562780       0.54674451       0.37905321
Li       8.46986000      10.72200005      11.41569997       0.33651646       0.56328047      -0.79283193
Li       0.70306498       6.36682999       3.47870006       0.61336278       0.21846698       0.79061680
Li       8.30417994       7.44922002       9.87189995      -2.52874860      -1.53061234       1.78223477
Li       7.74150001       9.47220998       6.28389005       0.02645582       0.12768030      -0.21372378
Li       5.07867998       7.48633001       3.96703001      -3.05100174      -0.27313822       0.84904595
Li       9.62738004       4.02668003       8.49478002      -0.91424894      -0.14231972       0.18444733
Li       1.43029000       4.78811998       9.80277000       0.19572883      -0.21682940      -0.44963416
Cl       3.53241995       4.90325998       1.45684999      -0.19400864       0.24979693      -0.40375451
Cl       0.60200299       9.29073994       2.21967000       0.65344687       0.40499824      -0.37544816
Cl       8.67472004       2.29495994       3.81197000       1.65755804       0.22723990       0.24320652
Cl       2.03506999       2.67936001       4.83946998      -0.07224977      -0.16616808       0.10421824
Cl       9.06038002       1.50014003       8.33149004      -0.56708009       0.20602598       0.51145999
Cl       8.55726000       8.73061998       0.54301503       0.63126793      -0.15485676       0.90878806
Cl      10.14649996       7.77482999       9.83782995       4.77231384      -0.32818478      -0.94773629
Cl       2.23404002      11.06810002       6.06902995       1.67520774       5.32538402      -4.18728020
Cl      10.80279996       6.57720996       1.89987999      -0.81763344      -0.69544700      -1.65250127
Cl       6.58463996       0.04547823       6.30180001       1.97362986       0.20755454      -1.34869385
Cl      10.50130005       0.31451989      10.86109995      -0.04526156      -0.86152625       1.46624419
Cl       3.18187001       0.78231800       1.28743006      -0.80744388      -0.14692449      -0.24470701
Cl       4.86228000       0.44711300       8.74494999       0.33539065      -1.11926649       0.10509726
Cl       6.92601000       7.67828998       3.51487995       2.93473653      -0.23140515      -0.09504411
Cl       3.77217004       4.94836000       8.40076994      -0.91539395      -0.26323296       0.01106322
Cl       8.31361000       4.61190001      10.39989998      -0.22344703       0.25256141       0.60290306
Cl      10.38609997       7.36011998       4.62628000      -0.56716371      -0.42922729       1.81888002
Cl       7.84156999       8.42458997       8.26502003      -0.80696328       1.45657546      -2.92457312
Cl       9.73915001      10.69539994       4.76481000      -0.05252451       0.14080946       0.21605571
Cl       5.16880997       2.49189002      10.75600001       0.41866771       1.32324666       1.37744729
Cl       5.63117998       7.85056005      10.38749999      -0.19974168      -1.10285219       1.74359354
Cl       5.89403998       3.83134005       3.42851999      -1.09537999       1.65161468      -0.76207348
Cl       4.08516999       8.42761997       1.99199995       2.08493513       1.87233748       1.94642709
Cl       0.19823597       4.19640996       0.10001988       2.81077132      -1.49552315      -0.95927850
Cl       1.90579005       8.16898994       7.85893000      -2.32642319      -3.29226144       3.12775049
Cl       7.37929995       3.88231998       7.36529003      -0.01446643       0.22997811      -0.91228075
Cl       4.45087995       8.40656995       6.73111001       1.72186880       0.31008788      -0.77650076
Cl       1.62007004       2.48315000       9.04246995      -0.16657929      -0.81550196       0.02410185
Cl       7.35716002       0.08772570       1.58135001      -0.50213173       0.41540103       0.36224312
Cl       2.91703998       6.20863003       4.63376995      -0.29808446      -0.17811981       0.09420850
Cl       0.29662300       1.22833995       2.51639996      -0.75747389      -0.24481705       0.14306370
Cl      11.44269996       4.80055001       7.61932999       0.35592351       0.55856065      -0.24477929
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.85871831 stress="-0.02187815639358005 -0.0015972407391153965 0.003887606871263616 -0.0015972407391153965 -0.02461899427811199 0.00032791719288580444 0.003887606871263616 0.00032791719288580444 -0.025494434421096758" free_energy=-222.85871831 pbc="T T T" config_type=melt 
Li      10.61849996       4.18848000       6.85780005      -1.00163327      -0.17992208       1.12461983
Li       8.67894004       7.92842005       5.79502002       0.09993128      -0.32082284       0.31270062
Li       8.81945004       7.11533995       9.45765998       0.14678267       0.01007686      -0.45701669
Li       4.63816994       8.44542996       7.55518998      -0.06569408      -0.12266677      -0.36756225
Li       7.03450003      10.62450002       9.28289998      -0.49270964      -1.09043313      -0.68214900
Li       6.26589996       4.19331002       6.23396999       0.05007912      -0.04718442      -0.04351637
Li       1.77651000       1.83668005       5.18647001      -0.56404253       0.43447873      -0.15965817
Li      10.14759996      10.65540004       0.01061994       0.02053197      -0.06858704      -0.91441528
Li       4.07821002       0.57824304       2.09085999      -0.79799333      -1.28586841      -0.14268033
Li       3.64043995       4.02565994       2.85881004       0.59773221       0.22752995       0.05181709
Li       3.20177005       8.58690996       4.38979001       0.24294530      -0.13592946       0.32937694
Li       7.38007001       1.32306001       1.97409996      -0.13916472      -0.12999345       0.32552467
Li       4.91160999       0.45851595       7.38060000       0.01413789       0.13612838      -0.13242303
Li      11.45890002      10.29960003       6.76813998       0.40685400      -0.38925384       1.45629897
Li       0.13685805       1.67288999       9.18142998       0.63989574      -1.04688703      -0.73461561
Li       7.25204002       6.45168997       1.70687000       0.23010418      -0.33336719       0.40509325
Li       9.60915000       4.26669001      11.36439996      -0.16941782       0.37754237       0.49644622
Li       5.72050002       9.49722997       0.28212195      -0.07572805      -0.79120329      -1.84555119
Li       7.62325995       2.13050003       9.13564004       0.43878134       0.33449303      -0.15677791
Li      10.93920001      10.39959996       3.15197002      -0.75673289      -1.32293659       0.87571192
Li       0.74045297       7.52242002       8.52579995      -0.94871993      -0.10798820      -0.73400064
Li       1.36623999       4.84964006      10.61079998      -0.04111789      -0.20664751      -0.16020332
Li       2.29600996      10.08610005      10.08519999      -0.59428895       0.32431264       0.13129886
Li       4.06116998       0.90589297      10.51090001       1.48025236      -2.69324143       0.37690268
Li       0.84226300       2.76707000       1.72083006      -0.60688041      -0.08267132      -0.60935849
Li       3.43125995       7.67969000       0.76513694      -0.34727103      -0.13026534      -0.05709372
Li       0.01308235       6.37456998       2.85521002       0.95722676      -0.15528106      -0.22972137
Li       8.93351997       4.35568997       3.48215000       1.37721391       0.81933744       0.97088380
Li       8.91165002       1.17679001       5.70635997       0.45072824      -0.67466204      -0.09121295
Li       6.17483001       9.97207002       3.61508005       2.54939928       1.07272188      -2.02432657
Li       2.44107001       5.00480003       6.52207996      -1.48468350       0.96200738       0.11819939
Li       4.68337005       3.73034995      11.20889995       0.20599746      -0.94375353      -0.30596352
Cl       3.66086999      10.52009998       0.48991695      -2.43201888      -0.23500131      -1.48868903
Cl       4.07433005       4.27389004       5.66156995       0.99271701      -1.00114559      -0.70889750
Cl       0.32083900       2.16731997       7.01219994       0.56338803      -0.39700223       0.32251374
Cl       4.06719996      10.40329995       8.69429999       0.19168730       0.19044352      -0.18470167
Cl       6.79341001       7.75622003       7.58671996       0.50386950      -0.07310621       0.52079388
Cl       5.58664996       7.73028003       1.37991997       0.27133309      -0.37439352       0.34479434
Cl       8.49302002       3.41144004       1.86263002      -0.49547807      -1.23823376      -2.02206542
Cl       3.95828001       5.26648999       0.89128002      -0.89161779       0.13050642       0.30200447
Cl       6.99547998       0.57117497       7.83791002       0.37329149      -1.54667846      -1.49621382
Cl       2.80844000       7.57127001       6.37381002      -0.63764253      -0.46505795       0.58031243
Cl       8.16765997       0.22768599       3.92503005      -0.83853522      -0.22911307      -0.64787916
Cl       8.09632005       2.84527004       6.60753998       0.69730515      -0.25783593       2.28269493
Cl       2.52998995       2.11881999       2.92722003      -2.03065586      -0.49747024       1.03873449
Cl       0.08980234       4.48748001       5.10201002       1.32153176       0.63098196      -1.70702865
Cl       8.02888005      10.87100004      11.00540004       0.53287421       0.06244022       0.59537025
Cl       5.18282001       9.41840995       5.03852003      -2.01862359      -0.65516098       3.01209838
Cl      10.82019998      11.08319997       5.05538995       0.59228710       0.76691912       0.17863248
Cl       2.91795002       2.37073998      10.39779996      -4.23767951       2.69020461       0.34093648
Cl      10.92890004       2.79739004      10.71019999      -0.40613251      -1.32444035       0.02107245
Cl      10.68919995       5.50267996       9.01261995       0.50316882       0.24599424      -0.56763024
Cl      10.28970005       8.73716998       7.77047001      -1.29150467      -2.04963126      -0.99978485
Cl       0.02987844      10.75169999       9.07644996       1.24287689       1.61367311       1.44314435
Cl       5.50173003       2.24437002       9.69238996       2.03097874       1.02040077      -0.08548132
Cl       7.92728004       4.92337005       5.08997997      -1.43092697       2.73123716      -0.43309066
Cl       0.19949303       4.89078994       0.99381299       0.54395611       0.96748807       1.54945796
Cl       0.01301987      11.20703105       1.49857000       1.12610771       1.14027710      -1.40469683
Cl       8.71374995       6.24821998       0.13031986      -0.31271434       0.85813724      -0.51840185
Cl       2.26521002       7.89486995       9.89713994       0.60344078      -0.81755893       0.92026973
Cl       5.96298995      10.70830001       1.72278999       2.03974087       2.35963104       2.34785477
Cl       9.76655996       6.97574995       3.87910001      -0.56454759       1.26344144      -0.21633396
Cl       2.21288005       7.83325002       2.68235998      -0.81657111      -0.19733416      -0.30422974
Cl       5.20332995       2.15753005       2.38498997       2.45157835       2.24832527      -0.14218824
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.51313705 stress="-0.005639050103907246 -0.0029521775680625387 -0.0011098331026151997 -0.0029521775680625387 -0.008035093667495862 -0.0003459601162593622 -0.0011098331026151997 -0.0003459601162593622 -0.012342475563103663" free_energy=-224.51313705 pbc="T T T" config_type=melt 
Li      11.38900001       2.96240001       9.84730002       0.40844528       0.00960220       0.63528236
Li      11.15539994       0.37428696       1.77642998      -0.37614780      -0.56008963       1.31076704
Li       6.99069995       6.20355996       6.44324996       0.99213014       0.70163577       0.74425728
Li       6.56527003       7.57610002       2.56351002      -0.69434819      -0.09026938       0.64742122
Li       9.15214998       8.86942994       4.60854005       0.03688648       0.95602282       0.50716488
Li       3.44398003       8.32030996       8.69478000      -0.42691164       0.47016224      -0.58275632
Li       4.78671996       3.61439999       5.16180999      -2.06813363      -4.58086231      -2.26540813
Li       8.62491003       2.90639001       8.51374996       0.37066956       0.41941514      -0.36245084
Li      11.33089996      11.11559997      10.37430002       0.17986743       0.44909018       0.11710165
Li       6.06566003       1.73989997       7.53637996      -0.10867436      -0.74646216      -0.28566887
Li      10.56360005       6.12808005       8.23299995       0.52979293      -0.39204210      -0.09969883
Li       1.29356998       6.90195003      10.89730002      -0.00224032      -0.29049129      -0.07945990
Li       7.29444995       7.72523002      10.24460003       0.01668064       0.25119601      -0.27060368
Li       3.96449996       5.06469998       9.02262998       0.01324671       0.16029047       0.29664004
Li       2.43100999       2.34553003       2.76020003       0.05515109      -0.27258446       0.37377387
Li       0.94443095       7.73970000       5.93065002      -0.39889928       0.40003474       0.97209596
Li       9.94320995      11.26940005       7.50169994       0.49647845      -0.84986662      -1.39439780
Li       5.14276003      10.71749998       4.28344999      -0.09769761       1.11812107      -0.01395034
Li       8.51484996       0.70299000       4.23490002      -2.03206261       1.10059917       0.29312966
Li       4.14318005       4.93137005       0.92018296      -0.58526407      -1.28637630      -2.63601135
Li       6.18705999       9.11434996       6.94900001       0.44803750       0.34396805       0.47572442
Li       7.50091005      11.03170001       0.58703901      -0.03583216      -0.42909100      -1.24176413
Li       3.39659002       1.35140005      10.50189998      -0.61803823       0.04109749      -0.06531846
Li       2.66950004       0.06238173       7.04163001       0.58117885      -0.27466868      -1.62880777
Li       9.24988996       5.58281000       0.90576904       0.52564624      -0.55446184       0.10441462
Li       1.04057006       6.13399998       3.19639995       0.00385143      -1.59740565       0.46992466
Li       1.11969996      10.36300002       4.21665003       0.16366106       0.69525809      -0.92171843
Li      10.08620002       8.49978005       1.69583999      -0.63017582       0.18994054       0.61063788
Li       4.09770996       6.97499996       4.50009003      -0.33474114      -0.26557850       0.19571616
Li       3.43716004       9.23256996       1.33172998       0.20520786      -0.14506109      -0.70283742
Li      10.91230000       3.22859005       5.50336999       0.61668055      -0.45630485      -0.49459262
Li       7.10969998       3.25827004       2.26543999      -2.01881662      -0.36921196      -0.07016046
Cl       0.17096394       7.17501003       1.62899005       0.66776843      -0.66604471      -2.39081447
Cl      10.17390005       5.24881001      10.18410004      -0.25454617      -0.29600759       1.31149554
Cl       1.88863995      10.58529998       1.91773996       0.16882603      -0.60500076      -0.11208248
Cl       5.43539002       2.32400000       3.18680997      -0.49176134       0.70047970      -0.14963752
Cl       4.51008000       5.81644997       2.56356997       0.90350912       1.76793541       1.51615310
Cl       2.42630001       4.19819999      10.65290002       0.15424768       0.32979060       0.02829492
Cl       0.71604598       1.43434996       3.74440997      -0.67927014       0.75551511       0.36798641
Cl       0.78724902      10.50250002       6.28298999      -0.43160646      -1.06768763       1.25047762
Cl       5.70195998       3.93916997      10.16600001       0.26835774      -0.28143214      -0.29621958
Cl       3.44733998       7.91482995      10.73420000      -0.72158815      -0.68611109       1.40583985
Cl       7.83630995       2.41455004       6.28202997      -0.25841379       0.24851723       0.36389347
Cl       8.33585999      10.34379999       6.31946004      -1.03475221      -0.52693146       0.45801555
Cl       7.23067003      11.28580005       2.55266997      -0.53556715      -0.31202395       1.45321811
Cl      10.93800005       3.52721001       7.74729004       0.10295787       0.72554586      -1.23054067
Cl       9.64340000      10.03789998       0.31851599       0.59201870       1.15629627      -0.84352314
Cl      10.11310004      11.13030005       4.12096995       1.35178053      -2.63931074      -1.28149180
Cl       2.18384997       3.92161002       4.43811000       0.10615859       1.54211163       0.17282069
Cl       1.85324994       0.56920197       8.80706002      -0.26512724       0.63319658       2.30419423
Cl       0.77932995       1.72661000       0.68851096       0.26579413       1.02824232      -2.11177010
Cl       5.38523001       5.20996995       5.66679995       1.06683329       3.10331772       0.69457907
Cl       3.43531005       0.70542604       4.89415998       0.38908602      -0.29956724       0.01506593
Cl       5.64690003       8.66040000       4.85686003       0.21835769      -0.86699251      -1.15058940
Cl       8.98697997       3.57395997       2.31855997       2.25804681       0.68543787      -0.16886033
Cl       1.28082996       7.09030001       8.19460997       0.05692408       0.05620043      -0.21309234
Cl       7.99222003       7.45657997       1.01904002      -0.13448109      -0.33955192      -0.52514217
Cl       9.80605005       6.88985005       4.02559998      -0.43183985      -0.06410609       0.62377091
Cl       5.05172998       7.11632003       7.87977000       0.60317055       0.25805666       0.51544968
Cl       9.75260999       1.07730001       9.06873003      -0.27386519      -0.10456790       1.80889529
Cl       5.59304004      10.04580001      11.11189999       0.53893570       0.31798512       0.12680940
Cl       4.94534994      10.94339995       7.27004995       0.35529210       0.29930267       0.94959742
Cl       8.92511000       7.47292001       8.00213996      -1.27551163       0.12985573      -0.18074472
Cl       1.82173005       7.85462998       4.02761002       1.50463662       0.87194268       0.64950521
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.27213695 stress="-0.009171755042001921 -0.0056513102191436005 0.0007919265413862168 -0.0056513102191436005 -0.010980991996509853 -0.0004053399553887686 0.0007919265413862168 -0.0004053399553887686 -0.017449807641082764" free_energy=-226.27213695 pbc="T T T" config_type=melt 
Li       0.10428001       6.70372999       0.55056701       0.19452703       0.32878474       0.21189284
Li       2.75552994       0.33599099       3.48640004      -0.45302147       0.45726568       1.46244212
Li      11.34890002       2.26887997       1.95815006       0.58911981      -0.17986350      -0.25143409
Li       8.23796994       9.61957998       7.05649999       0.15576452      -0.16083370      -0.02140087
Li       4.77690997       1.40816005       6.72028005      -1.40481570      -0.91120342       0.95482342
Li       8.22388997       1.95817000       0.67446206       1.41258465       0.63518872      -0.73886269
Li       5.30349004       2.41119995       0.87400599      -0.34270936      -0.54451999      -0.20920542
Li       9.55525000       3.46223999       4.54115004      -0.16099718       1.73562837      -0.83247614
Li       2.35499001       7.41079003       9.11055001      -0.44437536       0.04076142       0.71734135
Li       7.39520996       2.90604998       8.50885999      -0.40241385      -0.21509111       0.13122156
Li       1.14785004       3.90284999       5.78227002       0.43861512       0.02755810       0.58810929
Li       1.50217001       0.40104505       0.02001457      -1.24883300      -0.88061753       0.18173238
Li      10.25340001       1.37046996       7.96079002       0.21400974      -0.27015505       0.52899947
Li       4.20923001       9.44612003       7.43846997       2.17447553       1.79750996       0.74918547
Li       9.32412003       7.12990004       4.74839006      -0.57744886      -0.01217873       0.11984853
Li      10.08480000       6.90429000       7.86684999      -0.28870636      -0.18511013       0.54313006
Li      10.71270000      10.09259996      10.85949999      -0.46288863      -0.73791762      -1.39383093
Li      10.55390000       3.98917006      10.32859996       1.53866167      -0.45295490      -0.61336768
Li       7.55966002       1.22832000       4.12376002      -0.04732775       1.27131200      -0.57254929
Li       3.32150999       8.53352000       1.08776999      -0.10950516       0.31104747      -0.46375074
Li       6.81096996       9.06433004      10.26820005      -0.81448868       0.36068494       0.14140520
Li       6.16825995       9.75864995       3.86398998       0.00426535       0.43279502       0.29878425
Li       5.27167999       6.01176003      10.98360002      -0.95101971      -1.58602838      -0.44673190
Li       4.56333995       4.38875995       7.36062005      -0.37586582       0.04561291      -0.44943632
Li       5.17921999       4.82389002       3.97288000      -0.47297989       0.12622785       0.05374605
Li       2.30047999       7.68883998       5.31919003      -0.53656073      -1.13745903      -2.16334807
Li       4.56812996       0.12881987      10.28830003       0.66719853      -0.73987534      -0.54232799
Li      11.09440000       9.76984998       2.92090001      -1.42832155      -0.74099320      -2.02827043
Li       2.39765994       4.75826997       2.16171004      -0.09993591       0.04571172      -0.05944540
Li       2.70816000       3.88579997      10.05839995      -0.51031455      -0.21295964       0.10516211
Li       0.21063998      10.24090005       6.27265999       0.01473796      -0.56196969       0.82243266
Li       7.81836995       5.64273001       1.64176000       0.66941930       0.48918444      -2.11962608
Cl       3.27569001       1.17913996      11.27750003       0.94918642       3.50285817      -0.77172502
Cl       2.76783994       2.95140003       7.45572004      -0.50797259      -0.73272444      -0.00314360
Cl       3.38909994       5.48264005       5.48161996       0.30308145      -0.03492843      -0.04136602
Cl       1.17341997       3.45795005       0.61773405      -0.45215861       0.08910150      -1.21788216
Cl       7.96274995      10.89519999       4.94496004       0.00893265      -1.64213347       0.43815522
Cl       0.10351993       5.00306996       8.34371004      -0.37071257       0.28333849       0.33380451
Cl       8.63830994       4.17458002      10.96449996      -2.12414922       1.08165911       0.98067457
Cl       4.18865999       9.54703000       9.96482001       0.41594721      -0.90800883      -0.67512935
Cl       9.96671001       7.27234005       2.55296999       0.35856893       0.31038766      -0.66299228
Cl       3.13162998      10.84310000       1.80421000       0.29924046      -2.24653073       0.04242657
Cl       6.16090997       7.60675998       0.31078001       0.76346070       0.71379599       1.31204098
Cl       9.91359004       2.47747999       6.16230001       0.17624733      -0.57557328       1.59216726
Cl       9.47384995       2.38599000       2.83892994      -1.24078027      -0.48934392      -0.78258080
Cl       6.00447001       2.87250997       6.33813994       2.03672141       1.67896063      -0.71105044
Cl       6.91204994       0.93662205       1.87494002      -1.61041640      -0.67166342       0.13607013
Cl       0.91624303       3.52506000       3.57622004       0.33096568       0.10474553       1.04883392
Cl       4.26604996      11.39400004       5.20102001       0.19525206      -0.80250134      -0.06222401
Cl       6.17728004       0.81436502       9.18591997       1.14110666       0.34287718      -0.68975657
Cl       2.17461997       6.28324003      11.18299997       0.80399089      -0.75708746      -1.03672202
Cl       4.89309002       4.07879000       9.56822000       0.85658422       0.72765171       0.44961175
Cl       7.35821003       7.45148995       6.60590999      -0.12133791      -0.09001715      -1.35010064
Cl       4.61165994       4.33259999       1.56931997       0.28751354       0.02161723       0.28619191
Cl      11.04150002       7.62539998       6.07596000       0.36819252       0.11589121      -0.56143945
Cl       2.90846000       6.98438003       2.55718001      -0.21606211       0.59698414       1.19500639
Cl      10.94360000       0.03291991       0.82735405       0.14368002      -0.25170795       2.53786142
Cl      10.33530003      10.57680002       7.80229004      -0.24018547       0.53175198       0.51813905
Cl       2.73610005       8.31154999       7.12768996      -1.58201539      -0.57990150       0.97440438
Cl       7.27423005       5.32437005       3.47831004       0.00726430      -0.37084782       2.17547766
Cl       0.75834298      10.35219998       4.35550998       1.93571788       1.02826210       0.27153389
Cl       8.41808995       8.48722999       9.10968996       1.06540264      -0.08446370       0.88425535
Cl      10.09139999       1.70299003      10.21609995      -0.26912927       0.10075861      -1.35064691
Cl       1.06490998       8.93224996      10.56169996      -0.65298687       0.43124978       0.03591158
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.16602312 stress="-0.008908578433052617 -0.0007541205035164622 -0.00087419725878951 -0.0007541205035164622 -0.021234042201297865 -0.007019764028502794 -0.00087419725878951 -0.007019764028502794 -0.01922089729696797" free_energy=-225.16602312 pbc="T T T" config_type=melt 
Li       3.92157001       1.07531004       1.47485006       0.45895716      -0.72327270      -0.42305910
Li       9.11130000       0.27577200       1.74024997      -0.61914954       0.43771865       0.27765898
Li       4.34707995       9.16275994       7.43279996       0.32003181      -0.77440144       0.21576016
Li      11.00269997       2.52478001       3.34842995      -0.81572806       0.23236982      -0.48554847
Li       9.17491002       5.49162002       3.67098997      -0.03584225      -0.22112767       0.29908053
Li       6.78536002       0.63611003      10.26959996      -0.03323838      -0.66117811      -0.41579781
Li       3.59956005       5.11880003       6.94887000      -0.21553146       0.04541688      -0.08574068
Li       6.24817997       8.89663995       0.98833398      -1.23282330       5.09021334       3.83739894
Li       4.93715000       1.28507999       7.22021002       0.08105567       0.64772977      -0.28026221
Li       9.24678005       3.18952001      10.48570003       0.05264491       0.30738663      -0.27429877
Li       1.65115005      10.49040004       4.45723999       0.05841424       0.12884872       0.79900545
Li      10.43999997       3.57349005       7.38096995       0.82457635       0.67510240       0.26063440
Li       6.17042005      10.47979994       4.14377997      -1.03853131       1.04793154      -1.91523225
Li       0.97696898       9.74142005       8.47064003      -0.32904966       0.10655269      -0.23581869
Li       9.76131998       7.86412000      10.68750002      -0.72744507      -0.95280992      -1.82718923
Li      11.37410000       7.84341998       2.78392995      -0.91135980      -1.42634341       0.50044858
Li       6.41719005       2.79503001       2.86015996      -0.73161479      -1.31868242      -0.06813799
Li       1.15315995       2.30954996       9.59181005       0.51550141       0.12790524       0.44824613
Li       9.41094005      10.86310001       9.07173998       0.74328314       1.77502312       0.98344778
Li       9.46823004      10.84359995       5.34306003      -0.95310075       0.45709927      -0.55769317
Li       8.36381002       8.24871002       6.57763001       0.24834171      -0.15747824      -0.20884314
Li       5.15118994       3.30427000      10.38359996      -0.11317780      -0.00617627       0.01529066
Li       2.60220999       2.76875995       4.84993996      -0.49076136      -0.21493959      -0.30400580
Li       6.59771004       6.01138996       1.24568999      -0.04456385      -2.07117861      -0.03639149
Li       4.05496001       7.68541996       3.83298999       0.19222545      -0.20475002      -0.20833505
Li       2.57692001       6.56182994      10.05059999       2.33841314      -0.24885310      -1.06587420
Li       6.91009998       4.09062997       6.21514002      -0.01597406      -0.09942065       0.42545488
Li       0.55874299       7.53101995       5.92591997      -0.18000049       0.33894802       0.36705690
Li       6.82670996       6.39588002       8.95021999       0.69082284      -0.29928877       1.29447653
Li       2.31558006       4.18018995       1.79694004       2.26737139       0.45316564       0.21946633
Li       0.05800937      10.27420000       0.82842699       0.50286344       0.25307767      -0.18205903
Li       0.08211990       5.06015003       0.52220002      -0.58562561       0.22489123       0.04848545
Cl       3.97068001       2.74720997       2.78376005      -0.25359708       0.38879116       0.21216294
Cl       0.85270501       6.71445998      10.77820002      -2.49451285       0.60816579       0.58289069
Cl       0.73610595       0.98932197       4.12882001       0.47984481       0.21720357       0.36541287
Cl      10.98730000       9.87980996       6.29293995       1.60314887       0.18035433       0.24883705
Cl       4.06060995      10.99609999       6.46698997      -0.62351631       0.04176117      -1.43358415
Cl       6.16934997       1.53693005       0.52006102      -0.51199311       1.22075497       1.31854455
Cl      10.66560004       2.02469997       8.73641999      -2.01990159      -1.39331270       0.81339397
Cl       1.42523999       3.67581001       7.76238002       1.02744760       0.84660002      -0.70403912
Cl       2.25752001       8.34232997       7.43710996       0.01372126      -0.16752697       1.05437843
Cl       6.62436002       4.12710002       8.70819998      -0.59908974      -1.17977021      -0.56173757
Cl       5.44310995       6.90559005       7.48874003      -0.71861327       0.50773959      -0.92143374
Cl       0.60345299       4.35000999       2.85182004      -1.54415627       1.49669259       1.92779173
Cl       0.61128803      10.92960005      10.26159995       0.10615573       0.24247676       0.03592006
Cl       9.68001003       2.35112999       1.03716001       0.33446511      -0.39066951       0.36249545
Cl       6.15491002       7.19850000       2.78299996      -1.01931082       0.93042924       3.01501352
Cl       4.91828002      10.16059999       2.24030995      -0.77282008       0.71064336       0.33213572
Cl       7.12036004       9.77392003       5.63737997       1.09190505      -1.70301693       2.58294882
Cl       3.79498005       5.16790005      11.25069998       1.09881837      -0.16108653       0.05296549
Cl       7.57873004       4.37633003       2.42226000       0.98917376       0.81524154       0.07234877
Cl       9.21029005       8.98974997       8.54212005      -0.59994212      -2.15768159       0.15928692
Cl       1.08797004       9.41750003       2.69687995       1.97216668       1.26194044       0.22193377
Cl       8.37939995      10.61769998      11.43960002      -0.35384667       0.34680071      -0.88112268
Cl       8.88514002       5.52028003       9.95821005       1.12976211       0.28699915       0.47678384
Cl      10.04669996       7.34423003       4.79130005      -0.42449822      -0.55582081      -0.49654860
Cl       4.55686000       3.14297996       5.80571997       0.80002044       0.45993405       0.71305111
Cl       1.30903999       3.38916002       0.29781987      -0.28054751      -2.53619435      -2.84274274
Cl       8.03083001       0.57437396       4.06482995       0.32244272       1.02475429      -1.17631541
Cl       2.30258999       6.56642999       5.08095999       0.95438619      -0.70708474      -1.09326951
Cl       4.64179999       0.97665303       9.28795000       0.09804840       0.14417522       0.65215577
Cl      10.39060005       8.49985996       0.97787306      -0.91362237      -0.35646698       1.49645898
Cl       9.24556999       3.79289000       5.71606002      -0.92607340       0.31757265      -1.06615106
Cl       6.64499997       7.54270996       0.03681994       1.81354917      -3.70987900      -6.93759051
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.2082302 stress="-0.012002343268745318 -0.0005081963807419952 -0.0029414740852021803 -0.0005081963807419952 -0.014784072238036242 0.001172989135905384 -0.0029414740852021803 0.001172989135905384 -0.001336192191427089" free_energy=-228.2082302 pbc="T T T" config_type=melt 
Li       1.89534002       0.94039105      10.49450001      -0.15667831      -0.21486484       0.34781744
Li       7.47410003       4.72835004       9.60862998       0.63065909       0.53075683       0.22921193
Li       5.15898004       9.69901001       9.21988003      -0.52127659      -0.50868145      -0.38629878
Li       4.61954003       2.72745002      11.41660003       0.06135331       0.15808095       0.23061472
Li       1.32064001       2.25431001       2.19034002       1.82277604      -0.90927659       0.22952259
Li      10.24009996       3.41230995       8.26103997       0.72301286       1.01615748      -0.88431948
Li       2.57623995       4.95720997       4.73359999       0.10278555      -0.56104247      -0.38441098
Li       7.04101002       1.06785997       5.53303003      -0.12437551       0.48471870       0.15947776
Li       6.17197999       5.82337003       6.24034998      -0.07816050       1.15555820      -0.25768311
Li       1.77105002       2.13082997       6.77570996       0.80210811      -0.90332036      -0.35503842
Li       7.29602995       3.39809000       2.82612996      -0.58376109       0.43660829      -0.82754472
Li       0.02184175      10.56829994       0.50521798      -0.18740723       0.80162813      -0.66631255
Li       5.03919000       3.29029998       7.82423004      -0.94684707      -0.14520695       0.04082665
Li       1.64089995       9.39270004       3.24351001       0.08342023       0.00585050      -0.47524294
Li       8.80570001       7.72836997       8.61481998      -0.10511674      -0.38427697      -0.20946782
Li       9.00564003       8.13796003       3.06215002      -0.18068701       0.31781295       0.23939756
Li       2.30998996       5.11275996       9.12976999       0.23280625      -0.33341078      -0.73556861
Li       7.77171996       8.74099997       0.12152595      -0.02310191       2.07057081       0.62794351
Li      11.46019995       6.86749001       6.77465995       1.33086105      -3.05006636       0.44003934
Li      10.56980004       2.56624998       4.79078003      -0.00306223       0.03738362      -0.10622531
Li       9.56329002       2.44847995       0.36684504       0.11265434      -0.15599113       0.03542974
Li       8.07116994       0.75077897       9.15825001      -2.08387199      -2.36752673      -0.32461782
Li       4.94928001      10.94259997       1.35608997      -0.08313983      -0.59006604       0.13896564
Li       3.15255997       8.89740003       6.30974005       0.32825860       0.17928390       0.16339323
Li       2.22966995       5.76843997       1.42929995      -0.26645310       0.40532110      -0.10469596
Li       4.81962004       7.94753995       2.53563003       0.10712433       0.08059913       0.19210926
Li       8.42724005       0.12111301       2.39319002       0.29350631       0.74267136       0.09898565
Li       3.84437001       0.76254304       4.90523998       0.57165349      -3.46902043      -0.12263870
Li       9.66260003       5.98964004       0.21749104       0.14443552      -0.17719784      -0.19829656
Li       6.87927999       9.25313000       5.91571000       0.55088906      -0.15315369      -1.75026786
Li      10.95459998      10.83280003       7.39966005       0.23305379       0.02639336      -0.23227956
Li       0.70345304       8.08650995       9.74719003      -0.20801496       0.10174963       0.90540141
Cl      11.19069995       3.32980004       1.78745002      -1.18185174       0.77950324       0.28323066
Cl       3.89945003       9.97609994       3.57831995      -0.14807494       0.10857174       0.81477856
Cl       1.89539997       0.16381894       1.29848002       0.25574246       0.53992193      -0.16994664
Cl      11.18320002       9.08295995       1.89873000      -0.37932474      -1.37760401       1.53665175
Cl       7.74868995      10.89800003       6.79126997       0.86713433       1.14304351       0.42511776
Cl       9.24684000       2.17312996       9.48408996       1.57834797       1.54780837       0.76352205
Cl       6.99889003       7.07579999       3.90567995      -0.03756328      -0.15576912       0.15946878
Cl       6.84234001      10.53879994      10.08569995       0.42571351       0.24778316       0.34461023
Cl       6.08945999       3.07127995       9.70930998      -0.46658436      -0.29538593       0.03663404
Cl       3.32943994       2.52372002       4.77540999      -1.21246364       3.30557555      -0.44032865
Cl       2.47994997       2.31445002       8.92603001       0.55575562       0.74816929       0.17675703
Cl       5.82524995       8.20358994       7.19665998      -1.31297024      -1.38341275       1.33300893
Cl       4.25600003       8.86967998       0.52589805      -0.07384684      -0.17718420      -0.73797661
Cl      10.09530002       7.95226999       6.21581997      -3.04366132       2.95264263      -1.51480255
Cl       8.27509002       4.32625004       0.71542702      -0.42804750      -0.29353057       0.40219594
Cl       0.24602001       0.72788503       5.32584000      -0.08335088      -1.12457074       0.22356611
Cl       1.29457001       5.40999997      10.97410003      -1.04030235       0.81468771      -0.76316193
Cl       3.19911000       5.34905001       6.71930994       0.61089570       0.22035749       1.16400851
Cl       0.30305400       3.56905005       6.55436005      -1.00997383       1.41778074      -0.21859937
Cl       1.39737995       7.88659996       7.77298000       1.79348193       0.95508536       0.23834224
Cl       5.58250998       1.53439002       1.62663002       0.44288702       0.36682964       0.23455808
Cl       9.27307005       5.40959000       7.86127995      -0.59706797      -0.09237290       0.54503086
Cl       3.64297998      11.19389997       6.87763005       0.13337386      -0.49611318       0.38744554
Cl       8.35222995       1.95427994       3.98234996       0.65709812      -0.41103751       0.14812537
Cl      10.04699998       7.80811000      10.49179995       2.60207771       1.27499463      -0.26808611
Cl       9.39921003       0.13167998       0.47144903       0.30058047       0.34361953       0.07279638
Cl       0.38927296      10.98919998       9.67218004      -0.15910189      -0.58582513      -0.72763817
Cl       3.42056997       4.08187997       1.28073996       0.69370824      -0.98751049       0.34721613
Cl       7.54832998       7.04096004      10.62590004      -2.83182037      -2.35909883      -0.99368576
Cl       7.16491998       9.95698005       2.27010997      -0.14204073      -1.22122764       0.22343107
Cl       6.26606997       3.74316002       6.15905000       0.71381548      -0.97975458      -0.49949725
Cl       2.52706003       6.76057000       3.36119004      -0.06196964       0.54598073       0.41499977
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.26329533 stress="-0.009297139152213 -0.0015307320230246617 -0.002787795859715993 -0.0015307320230246617 -0.008436186001298066 0.0012342839386912119 -0.002787795859715993 0.0012342839386912119 -0.008061042373437684" free_energy=-227.26329533 pbc="T T T" config_type=melt 
Li       1.42409998       8.02651004       0.72624495      -0.14164929       0.00422444      -0.02466347
Li       7.00756001       9.18120001       4.22571002       0.22295445      -0.58954852       0.29077317
Li      11.36960004       0.31030298       8.01736005      -0.10085820      -0.56207839      -1.41157685
Li       4.43507002       5.78065997       4.17139995       0.58607377      -0.00844244      -0.25705610
Li       0.37962003       6.54906000       5.00038995      -1.17522188      -0.27576996       0.17429392
Li       5.38154998       1.91768997       3.93209995       0.01808921      -0.62602415      -1.12963923
Li       4.34768996      10.30339998       2.02977005       0.58373270      -1.32055911      -0.87099726
Li       8.31624002       0.69054002       3.13738001       0.73455862       0.15207138      -0.19822083
Li       6.52725998       5.54640999      11.18699997       0.19841289       1.70156100       1.39607857
Li       1.62070998       2.89414994      10.18810005       0.32513288       0.68224166       0.27768074
Li       3.66060998       1.41511004       7.05901995       0.11965800       0.27198278      -0.28868227
Li       1.66581997      11.30990003       3.79733998      -0.56099659       0.53484125       0.43803268
Li      10.19679995       6.98904004       9.45013001       0.24568761      -1.50857887      -0.61005530
Li      11.31269995       0.48215701       0.47731095      -0.04283800      -0.07304070       0.39701682
Li       7.39461004       4.99624000       3.21419997      -1.18242795       0.59347247      -0.30681499
Li       3.26710006       6.35174002      10.11360000       0.38891920      -0.65029268      -0.08560536
Li      10.79380004       3.16830995       5.48862005      -0.83228870      -0.72723563       0.42864920
Li       6.75551999       7.37330000       8.47253003      -0.36643463       0.44063111      -1.17735751
Li       7.97525003       2.09407996      10.16420000       0.28878325      -0.55880742       0.04497293
Li       5.00587996       9.64155998      10.25620005       0.37502840      -0.08911109      -0.38600792
Li       7.91376996       0.07469735       7.13317000      -0.91227336      -0.69350725      -0.53000180
Li       7.34376997       3.91265000       6.56825005      -0.17401911      -0.26403899      -0.39432758
Li       3.44010005       8.77122004       5.40374998       0.26138052       0.32463138       0.48510365
Li      10.21639997       9.72197996       4.59102000       0.65111362       0.49840131      -0.00055896
Li       1.37181002       9.54855005       8.93771005      -0.25318334      -0.33123040       1.14375667
Li       1.97919996       3.14293995       2.48720996       0.62326550       0.42782498       0.27685433
Li       8.53497000      10.58770003      10.10419997      -0.18281902      -0.19902589      -0.10358771
Li       2.41922999       4.45047996       6.45879003      -0.46246353       0.35058926      -4.52384584
Li       9.05911998       7.69678003       1.06288000       0.66379725       1.81810905      -0.44608759
Li       4.78425995       2.40717002       0.29234396       0.48474057       2.07538303      -0.56171843
Li       8.53747002       6.97159003       5.84709995      -0.89108383      -0.93175075       1.85670592
Li      10.65999997       4.61410000       2.63714004      -0.32208048      -0.07572591      -0.26001611
Cl       5.23320999       3.81525005       2.55380000       0.21878977       0.20223629       0.47142896
Cl       8.77362995       3.91630000       4.26049999       1.15678841      -1.35943827       0.71514886
Cl       1.43477999      10.42289997       7.14096995       0.41385478       0.34266461      -1.73312467
Cl       2.58387000       4.24505004       8.21936995       0.37348268      -0.51760817       4.89233236
Cl       6.75634003       3.85957004      10.19789994      -0.07045603      -0.85858944      -0.92875586
Cl       6.51476999       5.76619996       5.63019004      -0.30261326       0.61270032       0.07963285
Cl       3.61391000       8.79402995       0.26123598       0.31162089       0.09502216       0.62807985
Cl       1.65125999       7.64567995       9.81333995      -0.82035243      -0.88109310      -0.29086646
Cl      10.36340001       8.93364997       9.78550995      -0.40998909       2.32487534       0.57427107
Cl       0.46939704      10.39650002       2.26543002      -0.26170871      -0.57092567      -0.76526824
Cl       6.82484002      11.28099996       4.37520997      -0.44479669       0.81721753       0.35197421
Cl       2.17904002       2.28065997       5.59034994       0.20000179      -1.47586734       0.10481137
Cl       8.47223998       5.92460995       1.54287004      -1.56011263      -2.51936113      -0.00921234
Cl       4.36728001       0.63318801       0.97840500      -0.36399044      -0.71827470       0.07671402
Cl       6.59769996       0.58950200       9.19741004      -0.59723869      -0.75825644       0.05750605
Cl       7.75816001       9.20719996       7.21533999       0.34484368      -0.27951604      -0.26364973
Cl       3.65103994      10.61079998       3.91070004      -0.13657281      -0.20062101       1.77403473
Cl       5.37730006       2.63519994       5.82035997       0.34139485       0.27786354       1.87117571
Cl      10.16329994       5.79366998       7.00013998       0.05354583       0.01942238       0.43529536
Cl      10.14730005       0.31768896       4.69570000       0.14223424       1.23494998       0.17021720
Cl       9.26927996       7.95142003       4.35488002       0.75038227       0.15088148      -2.19776459
Cl       7.17714996       7.88605999      10.45489998      -0.00905899      -0.09325889       0.91653547
Cl       4.66574005       8.05378000       7.82613001      -0.45294516       0.08198531       0.23933440
Cl       6.09561000       8.03989000       2.65804000      -0.55084245      -0.15689103       0.04990268
Cl       9.44969998       1.16368003       8.01597998      -0.03358227       1.23009509       0.27101062
Cl       2.44129001       6.85988002       4.81003005       1.09598686       0.18856980      -0.00990970
Cl       8.32278005       0.23139102       0.88636804       0.49874738       0.11080567      -0.60327533
Cl      11.34979997       6.27946002       1.26992995       1.03724629       0.83338548      -0.18887972
Cl       0.60609402       0.96716805       9.76403002       0.89282879       0.03162623       1.52655135
Cl       0.44925797       2.64529000       1.13420995      -0.80884918      -0.15421472      -0.05541409
Cl       3.23458999       4.21635001       0.12727002      -0.11903045       0.16455807      -0.40249492
Cl       0.69454105       4.29118998       4.42291995      -0.06029977       1.43385967      -1.40043896
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.50668557 stress="-0.007651363988746078 -0.0031673787859081964 0.0053758725774561 -0.0031673787859081964 -0.003500836997109177 -0.0027630394755039987 0.0053758725774561 -0.0027630394755039987 -0.014748551584906512" free_energy=-226.50668557 pbc="T T T" config_type=melt 
Li       3.23489999       5.73572000       6.87099005       0.59686543      -1.11080069       0.87836632
Li       2.30241998       0.73072198       3.23206006       0.22622111       0.16237633       0.19942293
Li       8.54429998       4.29439000       5.20814002      -0.86404773      -0.28897505      -0.42940660
Li       2.63611995       0.96341201       7.19202004      -1.16860420      -0.62186888       0.84923914
Li       5.67082999       2.46060996       1.30660005      -0.31853467       0.18254236       0.94677702
Li       0.72221502       3.52401996       5.23601003      -0.09204649      -0.08990361       0.05581656
Li       5.94743005      10.92820004       6.09086998      -0.15335683       0.39103767       0.66890990
Li      10.00310004       9.47223004       1.82716997      -0.29096949       0.87267678      -1.16558475
Li       2.03352002       4.91568004       2.48038997       0.85502774      -0.55814019      -1.82466586
Li       4.74870005       8.49611997       8.68114003      -0.32092286       0.05735409      -0.21027921
Li       8.43148997       1.54543001       3.21354994       0.15580509       0.41942166       0.42582896
Li       1.70546001       8.70181002       8.13580005      -0.00390706       0.38438100       0.02862434
Li       3.23950003       4.97926002      10.70009995      -0.65303491       0.01627120      -0.36229683
Li       0.00241988       6.72795997      10.64939998      -0.71336191      -0.22907643      -0.16186019
Li       8.22607002       8.55758994       4.74483005      -1.85248044      -0.62061739       0.69488101
Li       9.86822004       5.54596002       7.78204000      -0.57110640       0.61734335       2.12330772
Li      10.24890005       1.26968003       7.34885999      -0.46775951       0.26343309      -0.00694106
Li       4.96553006       2.54805995       5.01354005       0.17548943       0.13680103       0.65463088
Li      11.14210000      10.83360001       4.67390995      -0.11283303      -0.85195986       1.07274331
Li       6.59775005       6.19184002       7.48553003       0.78597417      -0.42179189      -1.06956779
Li       8.26397999      11.37250004      10.41559997       0.14936921      -0.11487563       0.06395341
Li       8.19045004       3.88410004      11.28040003       0.03507442      -0.28584636      -0.24280223
Li       6.06493996       5.74323002       2.96168005       0.39618365      -0.21521991       0.26441206
Li       3.19185001       8.23659996       4.56288998       1.43475788       2.17491123      -0.88791880
Li       9.42218995       8.85239001       8.28731003       0.00968754       0.49586679       0.16400021
Li       9.11236996       6.22451998       2.09974996      -0.02564736      -0.26035088      -1.05502805
Li       2.30817000       9.49154999       0.43360395       0.25570570      -0.09163819      -0.69232832
Li       4.29596004       0.34962397      10.69800004       0.11228827      -0.36464808      -1.18060726
Li       6.28653005       2.85177005       8.21153996       0.34707514      -0.15859040      -0.02749611
Li       6.49369005       7.36577004       0.20211996      -0.51026884      -0.61417412      -3.37193628
Li       6.10608996      10.50999995       2.17474000       0.46154853      -0.10002843      -1.02633009
Li      11.36189994       6.80387999       5.00159003      -1.12780300       1.49488598       1.38483622
Cl       2.24741001       3.60178997       8.28764994      -0.03135720       0.66735771       0.08419318
Cl       5.34377999      10.30629998       4.08481001      -0.13388139      -0.11260453       0.36866557
Cl       7.32907998       1.89924005       5.56083997      -0.03859489       0.11126159      -0.60191760
Cl       0.00381761      10.98035712       7.19547996       1.57427860      -0.43333028      -0.71240755
Cl       1.25297003      10.27710000       3.34366998       1.16397510      -0.78702433      -0.94958130
Cl       0.84369203       5.50754998       3.93132004      -0.42290518      -2.38189213      -2.54008264
Cl       4.11102996       0.48657798       1.34534003      -0.42301728       0.20030952       0.93906041
Cl       8.74112000       3.77583001       8.78908001      -0.53332743      -0.96314516      -0.86670776
Cl       9.83212005       9.25603997      11.08340002       0.13328277       0.07002952      -0.25270167
Cl       6.69265996       1.93367003      11.10759997       0.22638824      -0.29054753      -2.14333724
Cl       6.94508002       7.88341003       1.92141002       0.12225514       1.29362924       2.43795649
Cl       5.05608996       5.91510996       8.68818002      -1.45440410      -0.11867570       1.26183558
Cl       8.15362999       6.28575002       3.95211005       0.27104233      -0.55772076       1.71218938
Cl       4.56610995       4.35062001       1.75994996      -0.98372016       0.53539460      -0.17312283
Cl       4.61147995       1.40232003       7.53342997       2.10466340       0.02206529       0.25614513
Cl       8.19764996       0.05011988       1.63216004      -0.05455175      -0.65996956       0.05671189
Cl       2.18366999       7.01714002       5.61906005      -1.32732670      -0.48859254       1.98255252
Cl       0.81974704       4.86817997       0.32756498       0.49092598      -0.19188316       0.42724220
Cl       1.90945002       7.66817000      10.38560001       0.83569812       0.19383397       0.49882339
Cl       4.97127997       9.04966000      10.77956312       1.09222481      -0.29935335       1.09739055
Cl      11.15040002       7.41256000       8.11923004      -0.08123198      -0.08515163      -0.13543316
Cl      10.44380004       4.86015005       6.05678003       0.49123843      -1.10193089      -1.11028882
Cl       5.59979995       4.82955005       5.30034997      -0.45356128       0.12719032       0.22137110
Cl       2.51203998       2.05657996       5.34027995      -0.06120352       0.27486126      -1.90361637
Cl       2.97901003      10.47520001       9.15646995      -0.76860892       1.16368820       0.44917375
Cl       9.89455005       8.81314996       3.75609998       1.97458036       0.11383221       0.40498320
Cl      10.56529997       1.25303997       4.15235996      -0.30202000       1.66329395      -0.17306514
Cl       7.86675002       7.74021005       6.83927997       0.30156647       0.66020239       0.36819793
Cl       3.93885001       9.09264005       6.60796003       0.90938766       0.32685927       0.26569089
Cl       8.68982996       5.95625996      10.74409998      -0.08728128       1.25043244       1.02139682
Cl       8.66052003      11.21200001       7.94229000      -1.45529511      -0.23414620       0.90218075
Cl       7.85017003       3.87185000       2.12256996       0.17039218      -0.63907032       0.04580078
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.46408156 stress="-0.010426623827314806 0.0016991904105058328 -0.003857373531586113 0.0016991904105058328 -0.012645328153573816 -0.006869251615033927 -0.003857373531586113 -0.006869251615033927 -0.01744270113993165" free_energy=-225.46408156 pbc="T T T" config_type=melt 
Li       8.74771999       8.89126997      10.46310004       0.64721806      -0.33912661      -1.29417828
Li       9.90415001       3.93903000       5.21589996      -0.99114988       1.09884934       0.04638035
Li       7.88945996       8.60676001       6.81681995      -1.40513625      -2.96564906      -4.17788378
Li       0.28567599       0.97246100      10.97399995      -0.07155547       0.12963807      -1.22010715
Li       8.07551995       1.35330003       9.01835002      -0.06208877      -0.48108812       0.15265000
Li       3.71489002       0.71146199       4.35059994       0.10193785       0.08258785      -0.13787643
Li       3.58750995      10.73979995       7.99024003      -0.02133708      -0.87573653       0.37511648
Li       6.40103000       2.92497005       2.76101996      -0.04372344      -0.18748283      -0.53309487
Li      11.42030002       7.86942005       4.46686001      -0.47357891      -0.00924484      -0.26790347
Li       4.18826000       2.51540005       9.13728998      -0.13672403      -0.38649316       0.67756293
Li       0.91187698       3.75838000       3.24967997       0.51037397      -0.25412648      -0.36646791
Li       3.27232995       7.31689001       1.87346995       0.03854560       0.24372911      -0.53137943
Li       3.98698003       0.38753497      11.34810004      -0.80264670      -0.65690500      -0.03693634
Li      10.83669995      10.83140001       7.61100004       0.00906550      -0.28559828      -0.44009000
Li       6.07704005      10.57439997       2.00341000      -0.09733033       0.33729833      -0.24002721
Li       9.41338000       3.31769995       0.78889598      -0.14707021      -0.69540727       0.26271098
Li       5.38154998       7.99828005      10.10660002      -0.48217440       0.40899385       0.09197749
Li      11.14340005       0.21728800       4.60045006       1.39001016       0.36092854      -0.76169319
Li       1.65687004       3.13835997       6.96147005       0.13373766      -0.70428063       0.11827365
Li       1.65551003       9.11930998       9.42692000      -0.31113156       0.70002433       0.13308386
Li       7.02954001       4.70238998       9.96540996      -0.85763525       0.80320248      -0.17316625
Li       4.70463996       4.39650005       0.31095003      -1.18231721      -0.26880886      -0.49795155
Li       9.59046999      10.74690001       1.83561994      -1.14669348       0.84439538      -0.28388394
Li       5.61393002       7.70880996       4.04798995       0.37485730       1.47550284       2.58703239
Li       7.45590003       6.73854999       1.47931000       0.73352903       0.34802426      -0.21993483
Li       0.27628995       6.65436996       0.90835595      -0.78736958       0.96800858      -1.87387365
Li       1.61649995       9.75140005       1.14096001      -0.62392592       0.50992337      -0.46280977
Li       1.91772001       5.52228995       9.50649999       0.14341465       0.42102243      -1.05686767
Li       7.09149997       5.35831005       6.08342003      -1.11527301      -1.03171839      -1.83210758
Li       3.67628005       6.92580994       7.17628005      -0.26174212      -0.86537791      -0.76691837
Li       7.97095998       0.60644196       4.79703999      -2.78902338       2.34935933      -1.14110743
Li       9.75239997       5.31483005       9.18668005       0.07779471      -0.12213988       0.42220150
Cl       7.24581996       6.86745997      10.42219996       0.43988116       0.61138254      -0.53805416
Cl      10.20710003       0.65586906       9.24503002       0.13319612       0.30569312       0.30920431
Cl       8.59107000       5.46630001       7.25846999       2.16520967      -0.13213716       2.17105718
Cl       8.40541997       9.57446001       8.19395995       1.35389919       2.51973221       3.95573059
Cl       8.03466997       1.24848005       2.53326002       0.58358502      -1.18436392      -1.46281746
Cl       9.18923005       6.74808001       4.34398998       0.45297719       0.19081899      -0.20264518
Cl       9.37648003      10.96250001       5.22138000       0.99617814      -4.36519118       1.37621276
Cl       1.45289000       6.05192995       2.32901997       0.70574922      -0.82222860       3.28069694
Cl      11.36473024       8.60914000      10.40010004      -1.30101839      -0.66483509       0.54871519
Cl       4.67090998       1.46208997       1.45643005       0.44986177       1.37213419       1.38509028
Cl       5.44319995       7.11747998       2.29239000      -0.76498929      -0.18127277      -1.86513838
Cl       1.60673995       9.97396002       6.48063005      -0.67094667       0.13719882      -0.04123406
Cl       1.42554001       3.58476998       9.65267999      -0.61202223      -1.56356742      -0.09938055
Cl       3.56937002       1.30108000       7.63793996      -0.48739815       0.59101660      -1.51218268
Cl       2.02328001      11.12130001      10.61119997      -0.39088588       0.03675283      -0.99385616
Cl       3.72552005       9.68060996       1.15709002       0.87660908      -0.80384728       0.78923729
Cl      11.31014411       9.92146004       2.56387997       1.20927362      -1.22019157       1.03557755
Cl       1.73742999       5.25262005       6.58327995       0.14037310       1.32902562       0.19522460
Cl       5.58886005      10.62399995       4.30015000      -0.03746464      -0.09812475       0.25076811
Cl       7.70541000       3.14067003       4.56720995      -0.71233108       1.50051909       1.41764118
Cl      10.45690004       2.02573004       5.69645002       1.59878240       0.78358390       0.72108631
Cl       4.82314003       4.46141998       9.39284002       0.32504363       0.90753863       0.01379183
Cl       2.55066005       6.55074995      11.14420003       0.85500056       0.51680243       0.67732860
Cl      10.09340005       5.34602997       0.54577505      -0.38296327       0.15394155      -0.41907865
Cl       8.02653996       9.42001002       0.82213402      -0.59225303       0.36905558       1.47005998
Cl       5.47320999      11.32429997      10.02559995       1.07256524      -0.28123059      -1.15107150
Cl       6.55293997       4.78859001       1.06644998       0.83624502      -1.57506072       0.88226474
Cl       8.04607005       3.02607996      10.46060002       0.84939743      -1.09924467      -0.36143020
Cl       5.73057001       6.97776996       6.10009999      -0.47941615       0.65333538       0.37613082
Cl       3.41057999       8.31472995       8.71468005       1.53011356       0.22286116      -0.08794252
Cl       0.46517406       1.42831001       1.48120001      -0.50654567       1.11901569       1.37263939
Cl       2.46940994       2.67612994       4.50915002       0.01343583      -0.28141682      -0.04435668
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.68493293 stress="-0.010994794575896485 0.001180292519220363 -0.002614725202960595 0.001180292519220363 -0.009896495326515752 0.0025893360732779456 -0.002614725202960595 0.0025893360732779456 -0.013739518292938508" free_energy=-225.68493293 pbc="T T T" config_type=melt 
Li       4.23861995      10.80580004       9.57266998      -0.62762493       1.50991549      -1.16783419
Li       3.76585998       5.46053004       6.59377000      -0.73062031       0.33664714      -0.05829139
Li       8.98388003       9.64700999       3.07996001      -2.56382151       0.74729581      -0.68313741
Li       0.68922197      11.02550002      11.06389997      -0.39636470      -0.16555197      -0.10613320
Li       1.67087996       7.76871002       8.46836001      -0.39229044      -0.03130827      -0.04172484
Li       3.60442996       3.88432004      10.19739999       0.23691058      -0.17530274      -1.55119282
Li      10.76019995       8.29265995      11.15679996       0.18854288      -0.43494811      -0.27329276
Li       0.36068895       2.66160998       7.59944004       1.17150669      -0.38899802      -0.05871693
Li       0.39571301      11.22599996       3.33991004       0.44907849      -0.30486014       1.15402905
Li       5.37125001       2.62366997       6.87518999      -0.18763565       0.42470302       0.17831205
Li       2.39850005      11.33790004       6.93720005       1.42550658       0.50142861      -3.23870091
Li       2.98009994       7.36254995      11.43469995       0.61632441       0.04393357       0.30896939
Li       4.99391000       7.31018995       8.61334005      -1.40544182       0.91940254      -0.44915209
Li       9.47734999       1.74866006       1.41789998      -0.29819744       0.43274405      -0.00178445
Li       6.32220001       3.40520003       0.69921905       0.31652842       0.19137796      -0.36527555
Li       6.39020004       0.98718102       3.43294004      -0.37189348      -0.15894735      -0.27964542
Li       1.39579995       7.05701003       2.74688003      -0.26631631       0.22206464      -0.50926678
Li       3.01630001       1.14984998       2.05767995      -1.53400300       1.16574861       0.33377386
Li       8.50375002       6.25784000       7.70422998       0.39113338       0.90721256       0.91013894
Li       7.37287995       7.05297002       0.37495900      -0.83434664      -3.07180661      -2.21600742
Li       6.31125999       9.73855994       6.28557003       0.04264916      -0.51511461       1.27057314
Li       0.07657119       5.38317000      10.14200000      -0.54863762       0.05432408      -0.48718347
Li       4.15831003       5.22564001       2.84652996       0.13694972      -0.82032610       0.10205018
Li       5.01699997       9.30780005       2.78914000       0.12660373      -0.16860107      -0.17111340
Li       9.94852995      10.12489999       7.78801999       0.21638055       0.09260008       0.13502278
Li      10.28570005       7.39959001       5.18893998      -0.56433935       0.09599529       0.20874256
Li       7.40861996      10.67650005      11.24669998      -0.16168362      -0.11987012       0.45657939
Li       9.56953003       5.13890998       1.96111999       0.18415929      -0.10840639      -0.25967881
Li       8.06820998       3.52101001       9.26577005       0.84566910       0.16512530       0.25935168
Li       9.48571995       2.37045005       5.00018004       1.54289900       0.19799585       1.91558385
Li       0.67302398       4.29222005       5.00682004       0.32564433       0.16590525      -0.21704487
Li       6.79341998       5.55829994       4.38653003       0.09128542       0.37390196      -0.94147097
Cl       7.50058000       6.01070004       2.26381000      -0.34252202      -1.27041849       0.75348671
Cl       6.70192998       6.77698995       9.42398996       2.01936470      -1.08166671       0.64609238
Cl      11.41679997       6.32722996       0.71097705       0.31368523      -0.00593385       0.87999556
Cl       9.60672004      10.10770002      11.29540001       1.33698514       1.89216826      -0.91873714
Cl       5.30601000       0.45257298       7.09580000      -0.41134269      -0.54919599       0.74616955
Cl       4.10511004       3.91678001       0.68832099       0.10618824      -0.23586943       1.86923534
Cl       0.27703697       0.84809202       1.62017001      -0.13400062       0.33214012      -1.69215615
Cl      10.52320004       1.05476994       6.91847005      -0.34764178      -1.37921286      -0.91688446
Cl       1.63204998       8.91825001      10.75600001      -0.84150465       0.30272110       0.31561010
Cl       7.00206999       1.36567996       1.11646004       0.61120036      -0.84441562      -1.27930110
Cl       7.65615005       8.68316004       1.12749005      -0.64957428       3.94844050       2.35738409
Cl       8.75434003       8.64075000       6.67715005      -0.88330924       0.49975382      -0.88183782
Cl       7.93353002       5.21320001       6.00991004       1.62266922      -0.34796541       0.51897287
Cl      10.20509997       3.66113000       8.32557000      -0.62548383       1.57996161       0.82437136
Cl       4.72958004       9.08821002      10.37189997       0.78498301      -0.98640251       0.64100870
Cl       1.78605000      11.26489998       8.69174002      -0.79022468       0.17351636       2.96331586
Cl       0.20768896       6.91013999       6.70720000       1.58824749      -0.67797405      -1.05203494
Cl       9.29876998       3.76450995       0.10898403      -0.31359160      -0.20525997      -0.21793919
Cl       8.09954002       2.24619995       3.68992999      -1.99295347      -0.64069577      -0.67021306
Cl       4.02167003       7.21236994       2.13093005       0.04940084       1.48793962      -0.75407522
Cl       6.06786002      10.50460004       4.43739005       1.19113452      -0.71290810      -0.63582146
Cl       2.68759996       3.46640003       7.28942997      -0.42514746      -0.13956075       0.23411192
Cl       4.59760004       0.00935772       2.26887997      -0.29764731      -0.82656418      -1.12465019
Cl       5.19126001       4.53772004       5.31159999      -0.83288663      -0.93302855      -0.63998382
Cl      10.30290002       7.52811995       9.04328002      -0.08620295      -0.12821059       1.71200841
Cl       2.30765996       5.56966999       3.95253996      -0.82417452      -0.73827955       1.02776754
Cl       1.98908997       1.38145997       4.20413001      -0.10035396      -0.42943531       0.57167921
Cl       2.87570002       5.93887999       9.69611998      -0.31216569       0.25476186      -0.60864190
Cl      10.43679995       3.79729997       3.54531005       1.52253445       0.82493339       0.38466524
Cl       4.21187000       8.28473996       6.52663999      -0.05744982      -0.51901815       0.58162981
Cl       5.99831999       3.08931005       9.35758002      -0.73150812      -0.05786607      -0.07717978
Cl      10.64010004       8.70156995       3.32707005       2.42873724      -0.67073506       0.28547238
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.98622323 stress="-0.01571189304799023 -0.002710722915075007 -0.005934593425319316 -0.002710722915075007 -0.01682918619579947 0.0030883392478473 -0.005934593425319316 0.0030883392478473 -0.011356970494872422" free_energy=-224.98622323 pbc="T T T" config_type=melt 
Li       0.28671993       2.64828000       1.31859994      -0.00835112       0.31070527      -0.23545335
Li       3.55706999      10.70360000       6.89721998      -1.78467724       2.01083519       0.69328416
Li       8.28477997       6.61706003       1.94571005      -1.21247403      -1.61441940      -0.21956097
Li      10.26910000       4.49302998       9.76422996      -0.45875712      -0.49072551      -0.14821701
Li       2.44867003       4.95887000      10.57949997      -0.00055944      -0.11153836       0.05399993
Li       7.00149999       4.28326002       9.79081001      -1.13160611      -1.31700335      -2.20617598
Li       9.58426999       0.88774604       4.48542997      -0.33998721       0.07865790      -0.26102955
Li       4.27659996       3.25249995       6.82912995      -1.12754856      -0.13256612       0.49498694
Li       5.25005996       4.77729999       4.25878998      -1.23998687       2.18692129      -2.53965457
Li      10.02559995       0.19941989       7.22100002       1.89653163      -0.45946868       0.86872958
Li       5.98619996       0.97808801       4.23291005      -0.18223674       0.14746537      -0.37288437
Li       3.15839002       8.03172995       0.62136799      -0.15106318      -0.35913455      -0.32834786
Li       1.52824998       5.67956004       3.10550002       0.79028370       0.23997210       0.39153118
Li       7.06067998       9.18259005       9.78845994      -0.00709333      -1.04739247      -0.62127541
Li       3.95633005       7.43190999       7.50212997       0.47833797       0.20979841      -0.06530709
Li       1.45621005       6.09287004       6.70384004      -0.22047604       0.49643131      -0.51716418
Li      10.11619998       8.60224997       3.95812994      -0.00981875      -0.26317882       0.65807511
Li       0.55611503       1.78719998       9.31753999      -0.58620440      -0.73589560      -0.89290302
Li       8.94804005       6.80215003       7.82552997      -0.40724252       0.76076671       0.12226652
Li       3.29240998       1.45965003       2.25365999       0.81491119      -0.40828059       0.03250310
Li       8.90106998       0.57984804      11.42119996       0.37863907       0.18728716      -0.72393353
Li       5.29419996       7.51028004       3.68746001      -0.20323633       0.50670894      -0.43795933
Li       7.55953001       2.63969004       6.85329000      -0.10192763       0.63611578       0.58573654
Li       6.72883000      10.19379997       1.36538005      -0.91476157      -0.69913381       1.52683250
Li       4.74532004       0.79183095      10.48070000       0.91777381       0.60082270      -1.67772132
Li       1.90981998       9.25062998       4.40667002      -1.15223537       0.98822052      -1.16011475
Li       0.13928504       9.74279003      10.40820001      -0.11682800      -1.19070449       1.28496153
Li       7.41977001       3.59475996       1.43376001       0.51088207       0.00583582       0.25060169
Li      11.20559996       7.13189998       1.17283999      -0.36700841       0.91740543      -0.26151307
Li       8.94630998       4.45559005       4.90665995       2.02606280      -0.04809468       2.73487257
Li       1.18646001       2.94392005       4.85102998      -0.28712262       0.02527024       1.31071229
Li       6.86176004       9.53029995       6.24341002      -0.04184188       0.46387635      -0.52697879
Cl       3.48659000       6.01631994       5.44168001       1.08927755      -0.43321433       0.68295429
Cl       9.81869996       1.96494998       9.52042003      -0.28413365       0.18728299      -0.70994685
Cl       5.83172004       3.54619004       5.51528998       2.60308352      -2.14762961       1.80297767
Cl       2.58373003       7.03104000       9.70138002       0.15413621      -0.11233016      -0.49889074
Cl       6.54944004       1.61019998       1.60060002      -0.15185848       0.24212625       1.30911514
Cl       9.33900995       8.24158004       1.87698995       1.36328076       1.54998508      -0.41284494
Cl       3.80037996       1.41764995       4.53711002       0.40214494      -0.82463663       0.85626598
Cl       1.02407995       7.45811997       4.67647004      -1.12610562      -1.02273000      -0.57965506
Cl       5.26939997      10.61669995       7.71213999       1.64485382       1.31245126       1.66732259
Cl       1.60508004       2.83182003      10.69990002       0.74225670       0.75213687       0.92732889
Cl       5.14959996       2.57573002       8.77260000       0.43101460       0.36730500       0.53961177
Cl       7.30067001      10.84670001      11.02510003      -0.12267572       0.31563919      -1.59203134
Cl       6.51621002       8.05434003       7.71261002       0.14093426      -1.99773529       0.42680448
Cl       7.12402998       9.17739994       3.82490997      -0.65776435       0.41874438       0.63121792
Cl       4.04387003       0.16661990       0.72610600      -1.41875405      -1.08219791       0.96209759
Cl       0.24971197      10.80810001       8.71676001       0.41070049       0.87158719      -1.35448240
Cl       3.51506005       9.40370999       5.52936995       1.20228161      -1.87581322      -1.15903742
Cl       5.16260000       8.40163997       0.92017998       1.73755905       1.12430056      -0.27852862
Cl       1.79529996       2.69713996       2.91505999      -0.53997752       1.01090477      -1.05917295
Cl      10.94460003      10.73340002       4.59812006       0.43052215      -0.44484027       0.26325022
Cl       0.13995203       5.13698994       1.55113005      -0.26740070      -0.48730358      -0.56140245
Cl       4.18870998       6.00415004       2.12101001      -0.55758052      -1.25615158       0.90169691
Cl       9.68669004       2.03577997       1.08692003       0.51588058       0.79852578       1.50010021
Cl       1.27519996       4.06881998       7.31660994       0.10450241      -0.93515752      -0.01683307
Cl      10.43210005       2.87610001       4.42466000      -0.17908072       0.13094237       0.45196382
Cl       9.01660998       4.63859997       7.59338002      -0.71007101      -1.41928273       0.84620852
Cl       7.91173001       4.98687001       3.45435004      -2.42058843       0.86674735      -2.95959558
Cl       9.15047998       7.91450998       9.90218996       0.62745289       0.12795317      -0.22818326
Cl       1.18694002       8.82403002       0.99675404      -0.42015542       0.49596263      -0.07056894
Cl       8.18062000       0.57869599       6.63918001      -1.58067092      -0.09943771      -1.26855910
Cl       7.85234997       5.16031001      11.24664609       1.08515902       0.89545230       1.91638196
Cl       9.62203001       6.82298005       5.73136002      -0.00860123       0.77485336      -0.74846474
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.89063302 stress="-0.00890718338710638 0.007165685799526554 -0.0017052356741017803 0.007165685799526554 -0.009270084082605034 -0.000972014720338628 -0.0017052356741017803 -0.000972014720338628 -0.025292254464283844" free_energy=-222.89063302 pbc="T T T" config_type=melt 
Li       4.28165995       4.00506001       0.03338674      -0.66572479      -0.63430686      -0.09351433
Li      10.83650001       6.92237995       8.56894004      -0.38374378       0.74351591       0.81025861
Li       6.34475002       1.25737003       8.78055999       1.34299654      -1.17863738      -0.94174477
Li       0.54199700       1.91742996       5.63896996      -0.09283834      -0.17721412       1.14550083
Li       1.85800005      10.06409999       6.41502995       0.01021755      -0.66302994       0.54366889
Li       8.94567004       2.25858997       3.13106995      -0.24781232      -0.08057349      -0.08486244
Li       1.35256001       2.05937002       1.59514005      -0.12046094       1.65036789       0.12951280
Li       5.23398005       5.20973000       3.59701005      -0.36956955      -0.73589276      -0.92918602
Li       4.56684000       0.00634479       2.38141999      -0.05695028       1.25763549       0.76942158
Li       1.15660004       5.92189005       0.46993701       0.05662587       0.67622084      -0.02188296
Li       7.80425995       0.13735904       0.46333897      -2.31769507       1.57108482       0.13118402
Li       5.05458000       7.57509002       0.40343902       0.31815714       0.27952368       0.14428621
Li       6.19995994      11.28529998       5.70987997      -0.88339148       0.42474485      -1.23977371
Li       3.62460996       2.14423997       4.72703004       0.64000747      -0.07778158      -0.50526239
Li      10.90869998      10.79160004       2.91759004      -0.08346784       0.21614556      -0.54286387
Li       8.85581003       6.89111995       4.34213999      -0.23086706       0.06088906       0.41558881
Li       5.74372997       6.49181999       7.31302002      -0.11198187       0.38345884      -0.22463886
Li       2.96377997       7.29161002       8.20251001      -0.48029181      -0.00556634       0.64781161
Li       7.10807996       4.43600000       9.22016996      -0.44691380       0.02315526       0.67589867
Li       9.21096999       8.75440997      11.17550003       0.73336638       0.13245549       0.26105944
Li       2.16814999       9.49811994       1.93619000       0.13018799      -0.20748952      -0.20441916
Li       4.28472997       8.04867003       4.37087005       0.21737208       0.07067595      -0.22046275
Li       8.08850004       2.73510002       6.11289997       0.01947717      -0.17223018      -0.83938726
Li       3.68723004       2.30086003       8.25437005      -1.88005708       0.86009049      -0.20473915
Li       1.56869998       5.28161000       5.83069995       1.06862967      -0.39875188      -0.62853563
Li       9.35451997       9.90915004       5.91580996      -0.10487987       0.15209013       0.67820622
Li       7.57007004       9.31532005       2.41062994      -1.35997860       0.52390386      -0.46966248
Li       7.01034995       9.06738000       8.58025999       1.15540586       1.33992140      -0.85261951
Li       0.49284195      10.80250005      10.00549997       0.49553944      -0.18446961      -0.34625552
Li      11.41880003       3.35285998      10.11540000       0.03655436      -0.02271587      -0.29613189
Li       9.45363005       1.05202001       8.74103998      -0.15338744       0.15330594       2.90832523
Li       8.15429996       4.68902996       0.98989198      -0.11447867      -0.37866358       0.26350577
Cl       5.04736002       2.34448999       9.74468004      -0.30892465       1.84847358       3.15666809
Cl       6.35360996       1.59275995       3.20741999       1.50624665      -0.48058949       1.05672432
Cl       0.10403605       9.75035004       0.40418305      -0.56268212      -0.92973942       0.17083184
Cl       0.20229204       6.19554000       6.89299000      -0.63870307      -0.34491579      -0.67166906
Cl       8.83982997       2.22363997       0.90028900       0.32332822       2.52046764      -1.02605364
Cl       3.97719997       2.91449996       2.56987005      -1.38159855       1.04065975      -0.17957393
Cl       7.51372998       7.91366999       0.77497295       0.53085904      -0.42777792      -0.00558357
Cl       3.64885004       6.85429003       2.31723997      -0.54978928       0.32040814       0.07808542
Cl       9.03695999       9.47971003       3.79452997       1.07038894      -2.74155369       3.44423208
Cl       2.99647002       8.02577999       6.18226001       0.42253511      -0.06955369      -0.59968829
Cl       1.19143998       8.84161003       8.69509000      -0.21195187       0.72175717       0.13053455
Cl       6.02992002       6.57731005       5.03400998       0.20282211       0.29765023       0.58299364
Cl       4.97892996       1.41301001       6.98009996       0.21714852      -0.73522867      -2.24444316
Cl       8.50878994       3.15407005       8.15183995      -0.70151388       1.71121759       1.49932831
Cl      10.72629996       6.25789995      10.78580003      -0.63663537      -0.07362791       0.04919740
Cl       9.64889999       1.01927000       6.89113004       2.76849011      -0.40815691      -5.25269383
Cl       7.84719001       0.06973125      10.02009996       0.49756151      -0.74601451      -1.16154562
Cl       1.91476005       0.17920298       1.89816997       1.23401396      -0.74987014      -0.01853732
Cl       8.40862997       4.53615000       4.04919003       0.26199449      -0.10933490      -0.11689618
Cl       8.79828996       7.61520996       7.40949996      -0.36543557       0.51770408       0.06973114
Cl       5.89614001       7.58909994       9.32735995      -1.23562253      -1.27428836       0.14664348
Cl       5.90800004       5.32532995       0.46539898       0.78847431      -0.53363899      -0.20271598
Cl       0.04134742       2.15505996       3.66210997      -0.72045057       0.49701217      -0.85022313
Cl       8.89614997      11.06510005       1.83300999       1.86842555      -0.38044057       0.61466312
Cl       5.28873001      10.08639996       4.13845997      -0.31224651      -0.49894786       0.38252698
Cl       3.00400996       5.26740003       9.11032003       0.69039756       0.27824387      -0.16745573
Cl       5.03243995      10.02860004       1.04516001      -0.02396111      -1.03950833      -1.58531110
Cl       2.74702998       3.45234001       6.23595996      -0.74328076      -0.04628844      -0.16975056
Cl       7.38892995      11.13100005       7.30278001      -0.39664246      -2.39394829      -0.01138837
Cl       0.85397205      10.38289995       4.53013997       0.13048710      -0.24348152       0.76437604
Cl       1.58926002       3.92769996       0.01564095       0.18116205      -1.33384050       0.69486765
Cl       0.71839902       1.32298996       8.79848003      -0.02494382       0.20528931       0.54383940
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-230.00937878 stress="-0.004563806340120577 0.00024241847930976876 0.001843732489695808 0.00024241847930976876 -0.008131966857370835 -0.001660046985751148 0.001843732489695808 -0.001660046985751148 -0.0015941344149215538" free_energy=-230.00937878 pbc="T T T" config_type=melt 
Li       2.18594003       8.07483003       6.01936004       0.02982012       0.10780382      -0.07707288
Li       2.22009005       1.28924004       9.01462001      -0.38599425      -0.27238142       0.35255097
Li       8.78711997       9.98028005       6.57196001      -0.10224872      -0.12804900       0.16343223
Li       4.09330997       4.81387999       5.73347999       0.14443092       0.01151987       0.15982457
Li       1.03047003       4.06832002       7.22031996      -0.30595022      -0.30465300      -0.66692881
Li       9.99621998       1.67823005       7.62935000       1.22481148       0.26550897       1.25548996
Li       4.48532002       3.82256999       9.41561003       0.89842415       0.33098845       0.12475800
Li       4.88763004       5.60113004       1.30142003      -0.34066937      -0.15927662      -0.49499054
Li       5.26604002       0.00916042       9.73351004       0.70834506       0.73936805       0.53506231
Li       2.40326999       8.37561995       1.58579001      -0.54578942      -1.01901249       0.48760174
Li       4.73100998      10.38289995       6.64838996       0.08913473       0.07246164       0.12166919
Li       7.69200000      11.39269999       3.65118004      -2.06029612       0.34450072       0.46415811
Li       9.65083000       3.33186005      10.75439994       0.39389871       0.02562371      -0.42929466
Li       5.38576998       2.82835999       3.29495000       0.03191271      -0.29982545      -0.33815368
Li       8.89797004      10.28040000       0.37229401       0.10210048       0.57351633      -0.13139315
Li       0.58719997      10.41110001       7.33834003      -0.30328980      -0.55906838      -0.04128286
Li       3.91274997       7.56982998       9.11423004      -0.96821182       0.94702411      -0.96680726
Li       0.67400004       9.72755997      10.75370005      -0.02546554       0.47338740      -0.58971500
Li       1.75760002       4.30207004      11.40140000       0.35656264       1.04664185      -0.37568684
Li       2.40582996       1.59270996       1.34408997       0.03648552       0.07819411       0.24782159
Li      11.39419998       9.90655005       3.41110001       0.14840943      -0.22465182      -0.00121170
Li       7.09011005       6.17433005       8.72015997       0.73439416       1.20897589       0.87202134
Li       9.44314001       2.48002002       3.89211002      -0.55941585      -1.43054573       0.02809649
Li      10.35159994       6.73534996       1.33751004      -0.07130799       0.85439212       1.32724767
Li       6.63770995       1.91767003       6.86668005      -0.14472314       0.03798649       0.59288251
Li       6.68064001       2.14687996       0.12833700      -0.73777552      -0.46687128       1.97918298
Li       5.97919001       7.55593000       5.34993998       0.73078374      -0.39446410      -0.22739997
Li       1.63657001       5.41974999       3.16965998      -0.00764677      -0.09027115      -0.24859263
Li       2.56131999       0.98740503       5.17169003      -0.00257408       1.36531040       0.58471223
Li      11.26250005       6.43914999       8.75638996      -0.14473295      -0.08684802       0.11869471
Li      10.17379996       6.71120997       4.88218004       0.01961645      -0.08965916       0.32256263
Li       5.22890997      10.19770001       1.77441995      -1.44188900      -0.53279770       1.23059020
Cl       0.99509504       0.98307795       7.17251999       0.16662729       1.76421984      -0.94836024
Cl       5.19610997       6.61110995      10.31500000       1.23755199      -0.84001199       1.36640784
Cl      10.50769999       8.94199001       0.68007703       0.52268877      -0.43272602      -0.01265588
Cl       6.03775998       9.34593002       4.04037996       0.20121862       0.33374058      -0.36635547
Cl       7.54637005       2.03367994       2.54941996      -0.16300090       0.56583852      -0.45602940
Cl       2.51265000       2.40555998       3.62899998      -0.34707899       0.69722018      -0.94342398
Cl       9.54237000      11.07540002       3.11693002       1.93949658       0.00169163      -0.76259670
Cl       0.71928097       2.53494000      11.37440002      -0.13745976      -1.18708403       0.27668440
Cl       6.63646000      10.83339995       8.32987002       0.93961401      -0.58857324      -1.25851195
Cl       2.66766002      10.50220000       5.28456996       0.22070349      -2.59943371       0.11970861
Cl      10.86789999      11.36319999       9.50687005      -0.41113899      -0.52742199       0.41069399
Cl       9.94801005       4.41921996       3.84710997       0.59925755       1.88604131      -0.09884879
Cl       2.49058000       6.29564002       0.96545896       0.59044914      -0.63962327      -0.00051243
Cl       5.46252001       1.49210999       5.05516995      -0.41235065      -0.38303889       0.41164942
Cl       5.11943996       5.00761004       3.44582004      -0.02314129       0.99578187       0.88451619
Cl       4.53712000       3.15101998       0.81339904      -0.15723452      -0.22301092      -0.60597459
Cl      10.96219999       5.72613001      11.20250002       0.02152649      -1.00858713      -1.53738640
Cl      10.58550003       3.82674998       8.34549996      -0.30214478       0.41033922       0.00200439
Cl       4.68724004       7.97794001       6.96065998      -0.99455696       0.16612593       0.26768625
Cl      10.71129998       9.04888995       5.38897998      -0.54529410       0.55233303       1.29429661
Cl       8.67923994       1.06966995       6.23392998      -0.44125404      -0.47965562      -1.26363165
Cl       4.27720000       1.80341999       8.64993002       1.04450800       0.47143554      -0.44842660
Cl       8.46739002       7.04665997       6.97651004       0.52650490       0.60161671      -0.09133321
Cl       1.16275005       8.43001005       8.15636995       0.04401325      -1.05811938       0.62678134
Cl       6.16024997       5.02539997       7.46114001      -1.76686627      -2.25563119      -1.66137801
Cl       0.66407301       7.57641999       3.33764000       0.03757215       0.01747221      -1.22456642
Cl       7.50237003       2.61501994       9.87095002       1.13214413       0.60798564      -1.08123037
Cl       6.83509000      10.74739997       0.77447896       0.52516229       0.62182777      -1.22160551
Cl       3.49459998      10.58400004       9.47898996      -2.04656825      -1.76976313       0.39400104
Cl       2.75798995      10.36099996       1.62568995       0.25064900       1.30948291      -0.20301909
Cl       1.65030995       5.63121001       5.36636004       0.64599504      -0.46178055       1.25504111
Cl       2.60277999       4.38464003       8.57764005      -0.39874294       1.02647955       0.49654601
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.14256896 stress="-0.01913088858124474 1.1137723374773639e-05 -0.00025170194394587937 1.1137723374773639e-05 -0.012609886137217564 -0.0010823879199623383 -0.00025170194394587937 -0.0010823879199623383 -0.01745525928098726" free_energy=-223.14256896 pbc="T T T" config_type=melt 
Li       3.80093002       8.82751997       9.94886998       1.16286607       0.67093603       0.85926756
Li       8.05473005       2.55135994       8.97162001      -0.06110394       0.21314824      -0.91038280
Li       7.29240002       9.79459998       8.20058997       0.55284435       0.13784836      -1.72442088
Li       2.64243998       6.32419995       7.79869003       0.96888237       0.67444321      -0.34007834
Li      10.24409996       7.56529998       8.19790997      -0.20791030       0.92919013      -0.01162819
Li       8.01658002       1.35171005       1.32363001       0.05349653       0.32503702       0.74536112
Li      11.41055102      11.20189998       8.23294996      -0.37272749       1.88560091      -1.31614488
Li      10.06189999       4.55095005       6.82124000      -0.02181679      -0.77314129      -0.25951931
Li       0.64199304       0.32458805       3.69074006      -0.38017196      -0.33924433       0.05687530
Li       2.18350994       8.27611997       3.49765005      -0.99567014       0.43661924      -0.76457708
Li       6.60370999       2.86320005       4.51400996      -1.26007925      -0.70665764      -0.69012839
Li       2.87280999       3.33403999       9.39135001      -0.30051372       0.33804756       0.06703655
Li       5.32554995       6.23168997       3.49419999      -0.03578982       1.08143687      -1.04580634
Li       6.16838995       7.66453995       6.42952000      -1.20566848       0.55410731      -0.71667868
Li       9.00903002       0.44721595       5.49181996      -0.29296825       0.22800163       0.07795876
Li       6.71018999       8.44597005       0.54455502      -1.02142431      -0.10879517      -0.06719901
Li       8.31422999       9.25986996       2.96543002      -0.24966962       1.13851461       3.95344980
Li      11.19609997       2.74138004      10.46320001       0.01630563      -0.41619917       0.27973813
Li       5.86526006       0.53219905       9.86279995       1.64929138       0.45066822      -1.32154846
Li       1.96651004       4.00826003       5.17247006       0.29073098       0.41421547       0.82191489
Li       2.85584996       0.09269363       0.61578798      -2.68291815       0.45324424       1.24842624
Li       5.61270002       5.93233997      10.34019998       1.12816733       0.06727257      -0.16275460
Li       4.93618001       0.28801699       3.02453996      -0.30376650      -0.14686179      -0.01306737
Li      10.51520003       9.44282004      11.03670005      -0.57279397      -0.05575184       0.88730808
Li       9.19642996       6.00680001      11.39269999      -0.50559329      -0.29468526       0.49113055
Li       2.20257000       3.04348996       2.03335997       0.04924077      -0.62498890       0.34211996
Li       1.73414995       6.58999997      10.94870000       0.07952473      -0.11761813       0.07487112
Li      10.41379997       4.08881001       2.56491003      -0.55684153      -0.20239831       0.70922141
Li       2.49537000       9.52604005       6.41816004       0.65579777      -2.24171018       0.05906939
Li       5.73198998       4.06486996       6.99630002       0.31732476      -0.61610773       0.78132200
Li       4.29194995       0.73434297       6.91682000       0.90211271      -1.42055896      -0.54300099
Li       5.28930001       3.37861999       0.42640003      -0.09182755       0.95481211      -1.11771817
Cl       9.42959003      10.06199996       7.67608001      -0.34879968       0.82041695      -1.20013130
Cl       8.26899997       1.29885994      10.63239994      -0.29438233      -0.93226438       0.41088433
Cl       2.42111999       7.30389995       1.47636002       0.05383810       0.22193297      -0.53137789
Cl       4.98568002       9.81367998       7.05745003       0.86599892      -0.29021596      -0.76973663
Cl      10.25080003       1.68004003       3.93009003       0.09327757      -1.46288203      -0.14764746
Cl       6.92133005       0.49375003       3.90151004       0.86422415      -0.52078373       0.25862082
Cl      10.82660003       7.07302001      10.36520002      -0.14340032      -1.14251981       0.25003874
Cl       8.33009002       3.58942001       5.11898002       1.44914171       1.68880932       1.25120892
Cl       6.73036002       1.39324995       7.34438996       1.41315904      -0.55144198      -0.28390325
Cl       5.13269004       5.06727004       5.19909997       0.57949504      -1.85672114       0.78460194
Cl       7.91334005       7.33250001       7.45781995       0.91443599      -0.94877227       0.52152426
Cl       2.40063000       3.70971000       0.08531992       0.36222441       0.79989821      -0.85010866
Cl       1.20148006       4.98181999       7.42136996      -1.09411549      -0.76750700      -0.84162132
Cl       2.36361000      11.45004925       6.47714996      -1.77571692       2.26062710      -0.43901904
Cl       0.78594003       1.07287995       0.18142200      -0.81233369      -0.37391810      -0.40184336
Cl       4.33791999      11.38079995      10.93829995      -0.09089768      -0.13440518      -0.08572184
Cl       0.23325201       9.68783005       9.38059995       1.34335966      -0.65506353       1.41240970
Cl       3.74256995       5.95638996       9.66721005      -1.04539390      -0.44395241       0.04785518
Cl       3.41233999       7.17840999       4.72559998      -0.49424698       0.72501145       0.90610972
Cl      10.80260002       2.57667995       8.19495000      -0.69322100      -0.09963951       0.22968689
Cl       0.03021996       9.44073996       3.79329996       0.27659226       0.14700438       0.11779654
Cl       6.25529000       6.10287996       0.86324596       0.22424395      -0.19027787       0.38971321
Cl       6.25427002       9.59551003       9.86668004       0.00967688      -1.43575440       2.06772478
Cl       8.61754996       8.81216002       1.23966001       2.71969355      -0.55540582      -4.46332901
Cl       2.61218001       8.33919999       8.43042001      -1.16962647       0.17761290      -1.45413423
Cl       0.73991702       3.83304995       3.45832998       1.50503561       0.77870506       0.42348911
Cl       6.39016003       4.17261000       9.28248004       0.91302244       0.06967654       0.33295701
Cl       6.35006004       8.47131000       3.16474994      -1.04892949      -0.21417688       0.71189183
Cl       2.63831995       0.83971105       2.69330997       0.36784608      -0.43968742       0.95604541
Cl       9.08576996       3.85930005       1.06117997      -0.45019180       0.34651474      -1.19455638
Cl       5.32070996       2.36805000       2.17694997       0.31824622       0.44854351       0.39564404
Cl       4.21925999       2.38154002       8.04176005      -1.51958611       1.64221127       0.74451055
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.97759035 stress="-0.024636914905355734 0.006169860576959432 0.004716777315241673 0.006169860576959432 -0.014373982643998898 -0.001287639985016064 0.004716777315241673 -0.001287639985016064 -0.015602075629788145" free_energy=-226.97759035 pbc="T T T" config_type=melt 
Li       6.12767995       7.18829003       9.67724003       0.03842557      -0.02299461      -0.60886198
Li       8.88935005       1.00590998       0.26655001       0.12701188       0.73794823       1.38493362
Li       5.75406995       6.25238999       5.12168994      -0.64157725      -0.15775607       0.34775296
Li       3.68504999       9.10285002       7.98990000      -0.15548660      -0.20369209       0.18212778
Li       8.84571000       5.13818005       5.90731998      -0.30375798       0.82168343       0.41561672
Li      11.20149999       3.17577996       3.12413005      -0.50046389       0.17498338      -0.34437147
Li       2.92487995      10.93059997      11.29399999       0.08655570       1.47332294      -0.62715884
Li       9.45070001       2.97747004       9.41145996       0.86563248      -1.10499604       0.74899058
Li       8.11326999       1.40166003       5.75435002       0.10755944       0.60559148      -0.60064813
Li       0.85931601       6.66939000       5.09121995       0.92708036      -0.23280809      -0.47488805
Li      10.31810005       9.15530002       4.87950003       0.06385194      -0.05471410       0.25755903
Li      10.47979994      11.45777239       8.47162997       0.27045079      -0.98351846      -1.03362119
Li       8.93223998       5.82172995       2.27558004      -4.24411602      -0.36651464      -0.19287816
Li       5.08330994       6.29952997       1.84400996       0.32923999      -0.91324876       1.49772691
Li       7.26107995      11.17660003       8.63486000      -0.11957277       0.45122037      -0.66458709
Li       9.17351000       8.89816000      10.84890000      -2.37233488       1.60540567       0.04250844
Li       3.43713998       8.85125998       3.51790996       0.10769456       0.17842372      -0.08521414
Li       2.52400995       0.73770200       3.13127998       0.15301912      -0.13202544      -0.13896672
Li       1.71394002       2.73127004       9.98255995      -2.74339776       1.77251251      -1.01623298
Li       0.36687806       2.86247998       6.52351001       0.37186609       0.21150841      -0.73019153
Li       5.75122005       9.79248998       0.47487696      -1.01411898      -1.40708976       0.25780098
Li      10.48479997       6.66798001       8.31091005       0.49072770      -0.24365385       0.58283980
Li       6.30409997       2.50391995       2.73748998       0.62632933      -0.20523525       0.07063002
Li      11.08126514       8.95152003       1.81053002       2.09154917      -0.18623731       0.11298904
Li       6.57316995       3.47889999       8.70253995       0.30708897      -0.25229836      -0.76321537
Li       3.28612996       4.00059994       4.42760998       0.76704975      -0.16753639      -0.30397006
Li       2.71716003       6.69014997      10.63500004       0.43607799       0.07077185       0.37400052
Li       0.16837095       5.70079005       0.69707202      -0.32717464       0.23925135      -1.23715146
Li       7.44364999      10.41969994       2.87689998      -0.24201353      -0.13466444      -0.39965468
Li       3.07874996       5.51197004       7.39476996       0.95642714       0.51121042       0.99737741
Li       4.24069006       1.26425994       6.74225994       0.67365063       1.45497422       0.08286840
Li       4.27838002       3.41141001       0.07967801      -0.06119026      -0.14990450       0.47171201
Cl       9.16388000      11.16720001       6.50110996       0.84834761      -1.49962450      -0.09548317
Cl       1.69433003       4.53016003      11.41230001       1.15183744       0.00860848      -0.00396438
Cl       1.60253004       6.84849002       8.84043999      -0.82367214      -0.35768418      -1.11769040
Cl       4.66344994       7.15387002       7.14729995       0.48789737       0.38064556       0.43411434
Cl       9.00010004       0.55640599       9.73260998      -0.22218875       0.49704418      -0.04084073
Cl       9.11486998       9.08834003       1.77179004      -2.20501133       0.67323308       1.65753288
Cl       1.39036003       2.28965003       4.28792002      -0.91148842      -0.82685054      -0.27170059
Cl       7.37277998       9.41122999       9.84635995      -0.74994695      -2.39812013      -1.54974886
Cl       4.98054001       3.82620004       6.22077002      -0.04563887       0.36460866      -0.60496120
Cl      10.01599999       3.20139999       0.49825504       0.00028068      -0.37515113      -0.01618457
Cl       5.48964003       9.16200995       2.86182996       0.75898054       0.70366806       0.01804509
Cl       7.10528004      11.25195807       0.41345903      -0.51166039       2.01736740       1.36563396
Cl      10.52409998       6.93678000       6.14744001      -0.58257750       0.62618909       0.27192232
Cl       9.75471002       3.36180005       6.06755003       0.16192953      -1.29273790      -1.12413208
Cl       1.95579002       4.52212002       6.01575006      -1.84384611       0.80841584       0.23454641
Cl       5.30837004       7.37198998       0.19811996       0.24543257       0.10596653      -1.19636035
Cl       2.29828000      10.46560005       1.68736995      -0.53749468       0.44403331       1.28907028
Cl       6.72078998       4.41999999       1.73317995      -0.17229525       0.45472515      -0.28930695
Cl       1.27272001       8.69733000       3.87057001      -1.71431552      -0.29862521       0.80359945
Cl       8.52081001       4.61222995       8.66113005      -0.44991585       1.84814950      -0.11586481
Cl       3.86015999      10.75990005       6.44762003      -0.44076328      -0.98641553      -0.14270512
Cl      10.72849996       7.96879002      11.23952804       3.64855616      -2.45847066      -0.97695323
Cl       7.83202001       6.33073998       4.50432000      -0.22272646       0.43310941      -0.77598304
Cl       6.58059995       1.58386997       7.37114002      -0.10166557      -0.68636221       0.69315503
Cl      11.28207909       1.87775003       8.33694004       1.80465916       1.00181639       0.75583826
Cl       3.85606002       6.60247001       3.74042006      -0.25480106      -1.07096811      -0.01474135
Cl       4.85485997       4.15915002       9.60276004      -0.56532563       1.10878889       0.24145812
Cl       8.11242003       1.05870001       3.19097999       0.20338684       0.51633865       0.76182895
Cl       4.19343005       2.28188000       3.03944995       0.00990744      -0.00930128      -0.49393764
Cl       3.12784998       1.67266002      10.53310002       2.36204435      -2.68560732       0.94447547
Cl      10.75249997       5.94749001       2.46785000       3.31334496       0.10483740       2.27637366
Cl       3.11179001       9.08172995      10.53460000       0.28664507      -0.54154669      -1.52285812
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.68287151 stress="-0.0018357123938879036 0.0016275225378697524 -0.003379461446202124 0.0016275225378697524 -0.011762341589150219 0.005686873664059898 -0.003379461446202124 0.005686873664059898 0.0025814546825273462" free_energy=-229.68287151 pbc="T T T" config_type=melt 
Li       3.74629000       2.26663996       0.22706898       0.16266389       0.06549082      -0.37616363
Li       5.79133998       4.23234005       6.22319001       0.26113184       0.19838732       0.19872540
Li       5.60149001       7.91995001       3.76298004      -0.05467185      -0.25037573       0.32417246
Li       4.47791994       9.76258002       6.28338998       0.58622185       1.09691112       0.19898535
Li       7.52423000       3.91929997       2.44986002      -0.52558639       0.77488569      -0.01367118
Li       1.41803996       8.17987998       9.48452996       0.23483161       0.10304661       0.29878066
Li       5.02067003       6.98892998       7.88773997      -0.04432649       0.10692800       0.33637291
Li       0.82004798       1.01614999       1.71017000      -0.19104637      -0.12008310       0.12138099
Li      10.02290000       9.17340006      11.44610003      -0.44423461       0.43845359      -0.06783716
Li       1.60196003       8.69746998       5.23703000       0.16003585       0.40573772      -0.34867344
Li       7.99983999       9.63677995       7.13035001       0.71044233      -0.54093196       0.20574329
Li       2.40365003       4.75939003      10.08760004      -0.50151370      -0.35014946       0.50167749
Li       8.95738000       6.61237997       5.65284001       0.32830152      -0.11941835       0.38141824
Li       4.70981998       6.20644999       0.01781996      -0.00222919      -1.07263642       0.40977754
Li       5.83119005       1.30934001       7.53649002      -0.51982626      -0.58003773       0.32453701
Li       1.19882000       5.91482002       6.74202997      -0.07759948      -0.61534542       0.18128418
Li       2.74649001       9.75404005       1.17458004      -0.01211193      -0.02695327       0.03698875
Li       5.05217995       0.53064805       3.62652003      -0.95660912       2.03548335      -1.41372749
Li       2.97136003       2.67143005       5.63473998      -1.52842334       0.29165773       0.03020101
Li       9.36216000       3.78001997       7.84658997       0.13186510       0.40103534      -0.26820103
Li       8.30792005       1.79823997       5.14502996       0.16802331      -0.00662783      -0.04067568
Li      10.38469995       2.99379999       0.11007704      -0.05116462      -0.17643816      -0.17067508
Li       8.39423003       0.30907000       1.33858998      -0.18760041       0.41728704       0.32165822
Li       8.65124004       9.61268994       3.87526005       0.06388873       0.16864694       1.79550885
Li       5.41588997       9.99714997       9.85758004      -0.62340370       0.21817799       0.48610850
Li       1.67385001       0.71726601       9.13328000       0.10570622       0.20984869      -0.06539090
Li       6.50866996       3.51082996      10.49179995       0.12493096      -0.00051081      -0.82431431
Li      10.90329996       4.11129995       3.31917999       0.15906080      -0.47963847       0.80978158
Li      10.09149996       5.78275003      10.54739999       0.09497255       0.85868848       0.10438764
Li       0.29791800       0.34128302       4.86694997       0.07765147      -1.28256651       0.47390962
Li       0.52601797       6.79276996       2.29675995       0.41470922       0.20505418       0.00114397
Li       3.51680996       5.37719997       3.06216000      -0.69236148      -1.99343838       0.26463049
Cl       8.92884002       4.07066997       9.99490996      -0.90271435      -1.19196786       1.35646462
Cl       6.16866005      10.42230004       7.91538000      -0.24871341      -0.13085096      -0.48542060
Cl       0.75200301       9.74958996       3.26051004       0.35044364       0.28022355      -0.28170640
Cl       9.17579999      10.98599995       5.70332997       0.33269179       0.37358610      -0.08923522
Cl       7.25511004       2.84924997       7.67397998       0.61145539      -0.09362120      -0.47163949
Cl       7.19429995       8.08350998       5.57094997       0.48223672      -0.95181076      -0.37819055
Cl       3.20838999       0.69322404       1.65546004       0.35799219      -1.02486293       0.98305862
Cl       3.49302995       7.95833001       6.50962998      -0.71824711      -0.49741422      -0.08612081
Cl       7.44703000       1.84818995       2.80457998      -0.11353912      -0.94240463       0.29865096
Cl      11.00084310       5.53480998       8.58548002       1.42034808      -0.01335732      -0.99476910
Cl       1.27176996       2.53657996      11.45460000      -0.47684848      -0.80671707      -1.06107343
Cl       0.21361989       7.05460999       5.07392998      -1.20846332       0.41131780      -0.13607862
Cl       4.97650000       2.27527004       5.51726997       0.43373884      -0.65266873      -0.32277114
Cl      10.18839995       0.38255603       0.14528396       0.43957044       0.12586221      -0.44111197
Cl       9.21466000       4.30319996       5.51463995       0.01626156       0.01514133      -0.48216418
Cl       2.85725995      10.45990001       9.74006005      -1.47143466      -0.65069736       0.03087469
Cl       9.05784000       7.92716999       8.73240004      -0.33072016       0.92024878       0.20205438
Cl       5.49056003       5.18966006       9.01198001       1.26681947      -0.04104379       0.66327367
Cl       5.01315004       1.06094999       9.80752000       0.24467278       1.23931368       0.72163389
Cl       4.36626004       8.03043999      10.56740000       0.13790661       0.47648511      -0.17935182
Cl       5.43583999       5.27120995       4.09172996       1.15655221      -0.19098477       0.67936987
Cl       5.85313004      10.62330005       4.69649000       0.33068508      -1.60672910       0.30438193
Cl       0.16445796       7.65046996       0.08271994      -0.01531456       0.26794062      -0.11830163
Cl       1.89267996       0.33272700       6.33007998       0.46775737       0.20681098       0.55943002
Cl       8.44824995       9.67566003       1.88836996      -0.38297989      -0.85318047      -1.38066025
Cl       2.13187001       5.17649001       0.67164700       0.38834922       1.10804110       1.05239006
Cl       5.35235997       3.86138002       0.89885505       0.14854842       0.31699077       0.10904317
Cl       1.55325003       4.46616000       4.53193998       0.72126529      -0.80437502      -0.30503762
Cl       3.69208998       7.27832005       2.62488003      -0.12244796       3.02798668      -0.77519537
Cl       9.48738995       4.85255003       1.70243000       0.47515521       0.17252538       0.02389470
Cl      10.90829999       1.69643006       3.67228004      -0.42406955       1.24799854      -1.37113822
Cl       2.80993999       4.96435004       8.12512004      -0.73868605      -0.11835542      -1.84239842
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.71777315 stress="-0.01713181513427312 -0.0034188967301650446 -0.0008008809286951743 -0.0034188967301650446 -0.01702684751221655 -0.0033037096230732867 -0.0008008809286951743 -0.0033037096230732867 -0.018369204080199746" free_energy=-226.71777315 pbc="T T T" config_type=melt 
Li      10.67749996       2.69504005      10.62729994       1.11346568       1.31517041      -0.55577888
Li       9.93151994       0.18040294       8.58496000      -1.50939390      -0.07511606       0.22772114
Li       3.03798997      10.05160002       3.58767996      -0.62833085       0.53404403       0.98175421
Li       1.51231005       3.20104001       6.01202004       0.59705603      -1.59820881      -0.59256754
Li       4.33343001       3.14129001       4.38760996       0.70272979       0.61893827       0.25316235
Li       3.60283998       6.32840000       2.45392996       0.00538498      -0.43775097       0.20176512
Li       9.71331996       8.45411003       3.63076995       0.05128747      -0.32357784      -0.19643354
Li       7.59401995       4.32934001       9.62710995       1.33508805      -0.44382472       0.00051399
Li       1.60580997       0.55488205       9.95018998       0.34054254      -0.49013690       0.90560997
Li       3.12493003       8.47407003       9.49801000      -1.93159376      -0.27421560       0.65372957
Li       9.04002004       8.16658004       0.02450536      -1.01786571      -0.58465554       0.50925341
Li       1.80658001       7.84423005       0.56929700      -0.37390120      -0.43973442       0.16674626
Li       0.42741989       9.41180996       5.70255005      -0.58633418      -0.18374399       1.68481066
Li       0.81210197       1.88955996       2.72789002       0.39800244       0.39719705       0.01186880
Li       6.49638002      11.17759995       9.83687004      -0.30350648      -0.06950847       0.91694234
Li      10.68850005       4.84720997       2.14479003       0.69439907      -0.54032931      -0.07844041
Li       9.87640003       0.72893103       4.37450996      -0.16779536       2.62400673      -2.60709520
Li       4.55484996       9.78442005       0.60764296      -0.35967604      -0.95301743       0.20409955
Li       1.12495002       6.69207999       4.93784004      -1.01237236      -0.95007132      -0.93354403
Li       0.36964897      10.46879996       1.86703998       0.27045590       0.72534518      -1.16964737
Li       7.81382999      10.17040000       6.15515994       0.02845961      -1.01734540      -0.69592204
Li       4.76278002       9.85819005       6.42988995      -0.02584704      -0.65730366       0.44268355
Li       9.65114997       5.20858002       6.31728000       1.11900764       0.89151878      -0.73778906
Li       4.21852995       2.61886002       0.52141197       0.04939568      -0.20392370      -0.00809299
Li       7.11123000       2.25850995       6.59773997      -0.67726489       0.30582754      -0.20985937
Li       6.00756995       0.72486304       3.51735004       0.72124797       1.07888782      -0.80697350
Li       8.12659996      10.93300001       1.28090000      -0.07578844      -0.60205142      -2.03228666
Li       7.34891995       4.79137996       3.61396996       0.09860173       0.78003858      -0.29109662
Li      11.02920000       6.38291999       9.13403000       0.58588081       1.67372410      -1.13241803
Li       6.38675995       7.34660004       9.00205997       1.03823362       0.24440002       0.00615525
Li       5.47531002       6.56501999       5.79096006      -1.72635931      -1.96069339      -0.65782990
Li       3.03819002       4.88689002       9.74091001       0.53508270      -0.75061632       0.34750689
Cl       6.67673000       7.85176001       6.46967994       1.93959293       2.21759165       0.24266033
Cl       0.92752801       5.03894994       6.41989998      -0.67381138       1.14062951       1.00774658
Cl      10.24079997       4.95680998      10.15559996      -0.84699168      -2.15077911       1.51301834
Cl       2.50333997       2.09427004       4.07770995       0.22514903      -0.77769132      -0.06681901
Cl       6.80593003       2.87614999       4.10988996       0.11047738      -2.03489844       0.11862618
Cl       4.67825996       3.17088998       6.57011999      -0.10306931      -0.39837025       0.60184144
Cl       4.85897003      10.82249995       4.45972006      -0.44017228      -0.66684671       0.92438500
Cl       3.14015998       8.52354000       2.28508003       1.00158147      -0.64477052      -0.97051754
Cl       9.83793003      10.93999999       5.73484997       0.46619106      -1.90956986       2.84231761
Cl       2.34838005      10.01829996      11.11330001      -0.25053517       0.15418010      -0.29998210
Cl       7.49222999      11.14073713       7.97262998      -0.17400462       0.79397692       0.08386973
Cl       4.83594001       8.81133000       8.65561000       0.86231729       1.43884218      -0.39282209
Cl       5.77751005      11.44689405       0.70805297      -0.46778883       3.34483500      -0.46407180
Cl       5.89324001       5.29127003       8.97307002      -1.40312982      -0.06974644       0.24548017
Cl       8.90845000       7.76559001       9.49902998      -0.05608691       0.15691784      -1.30948851
Cl      10.08049998       9.48671998       1.20853999       0.09426636       0.28820432       0.09675421
Cl       8.97035000       1.73698002      10.45889999      -2.34316205      -1.28487336      -0.56087366
Cl      10.19580003       7.54696998       5.72089003       0.00561941      -0.09892739       0.07303567
Cl       1.03698002       6.14603999       2.47164995       0.09747347       0.32808061       0.04575925
Cl       0.11371305       1.68955997       0.75521404       0.36580473      -1.27525284       0.77759152
Cl       8.40241002       3.92092996       7.25859002      -0.36458663      -0.75880263       0.49156086
Cl       5.19852997       5.39971995       3.94721996      -0.72967759       0.87264642      -0.25196010
Cl       1.77712999       6.67992005       9.89743996      -0.08243063       0.52684011       0.07725530
Cl       6.67510998       8.88942995       0.81611986       0.84546469      -1.82558790      -0.32768604
Cl       2.22575994       8.12646996       5.82505001       1.87013388       1.21189583       1.14180178
Cl       0.51200105       9.60584004       3.72552005       0.30110796       0.76560286      -1.12491063
Cl       2.65654999       2.29287000      10.47749998       0.80673959       0.66892147      -0.60342828
Cl       9.02490003       5.91422996       2.79345000      -0.71883769       0.92346220       0.03217243
Cl       0.39139098       0.71079098       8.32131996       0.59285556       0.29925012      -1.14115619
Cl       3.62318002       4.69116003       0.92335903       0.38388249       0.19851605      -0.32822739
Cl       7.97389002      11.32428312       3.17702005       0.62293854       0.19732913       2.12971023
Cl      11.05009995       3.19757997       3.84278003      -1.22560345      -0.26487876       0.58780875
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.36662083 stress="-0.0007038311290779759 -3.9121123842578045e-05 -0.0011624164625932856 -3.9121123842578045e-05 -0.018827408575552724 -0.0013392911256741265 -0.0011624164625932856 -0.0013392911256741265 -0.023016203408078095" free_energy=-225.36662083 pbc="T T T" config_type=melt 
Li       8.41273005       8.45816001       5.66461005       0.13812551       2.16053562       1.47258783
Li       7.71805005      10.64780002       0.52024502      -1.12410130       0.78295403      -0.16397543
Li       2.37276996       1.37325005       0.74899398      -0.15694776       1.55981324      -0.23902301
Li       4.89790995       0.39837502      10.49740002       0.83459930       1.00071148       1.90415014
Li      11.20400000      10.63220000       6.48131997       0.15594467      -0.23017404       2.27970650
Li       4.02677003       8.81419997       9.47628003      -0.07024209      -1.52930457       0.41020539
Li       4.21759996       2.58576001       8.38721997      -0.77366859       0.04409703       0.18846179
Li       9.65839000       1.10561999       9.56489995       0.22215906      -2.79388908       1.79429429
Li       1.44169994       8.01655996       4.74691002       0.06047904      -0.39949514       0.39410987
Li       5.82180000       2.11701001       4.94604995       0.36508869      -0.56895598      -1.58909051
Li       7.99192001       3.32134995       7.71487995      -0.32930494       0.01551749      -0.48074056
Li       2.16138996       0.29291992       8.99830003      -0.26964299      -1.13528942       0.25057361
Li       1.29471996       6.60756004       0.74227706      -0.56669295       0.69941399      -1.15946404
Li       1.94870005       0.57221799       4.12069997       0.07008318       0.37076636       0.38660579
Li      10.86579996       3.58571005       1.48445001       0.37566072       0.13783997      -0.30023347
Li       5.08091998      10.06409999       4.94267005       0.48479509      -0.38571144       0.18270542
Li       1.41451997       4.66403004       6.87712997       0.28981732       0.01754463      -0.28255508
Li       8.90599996       7.51758003       2.10193001      -0.04540837      -1.34706899       0.28703665
Li       5.07933000       6.95061005       6.63499005      -0.44157293      -0.03640500       0.14210955
Li       7.01930998       6.13306002      10.21590001       0.04390306      -0.18997087       0.99626236
Li       5.91393005       5.84335996       3.46928995       0.20572717       0.12356148      -0.38489658
Li       0.42628298       3.13310005       9.66093003       1.22915771       1.04689733      -1.13836927
Li       6.64736001       3.13475996       1.49204006       0.41612273      -0.69798723      -0.23612303
Li       8.23170999      10.52290002       3.41676004      -0.85882712       0.90529430       1.53550360
Li      10.87680005       7.80824000       8.69697003       0.19065973      -0.12572489       1.16397087
Li       2.16650005       4.52054001       3.32594999       0.58773856      -0.80695055      -1.01239528
Li       3.53254996       9.49827998       1.92431002       0.21173559      -0.25233813      -0.32516221
Li       0.03143311       9.67700994       1.98446001       0.24340607       0.08639044       0.15526258
Li       7.23664005      10.96980001       8.07801996       0.13002151       0.26954400      -0.17320311
Li       4.22027997       4.87432999       0.43463803      -0.30531890       0.15133020      -0.32847057
Li      10.01910005       5.30753005       5.63856997       0.51177947       1.23783134      -0.26281892
Li       9.75441000       1.87898003       4.22919998       0.34147612      -0.47697261      -0.21215737
Cl       8.38220996       6.84804005       4.63876001       2.74763112      -5.37498935      -0.92289406
Cl       8.03624997      10.13669995      10.00659997       0.46106651      -0.17139880      -1.05460275
Cl       7.69420997      10.83809997       5.67008000       0.49890319       0.80573406       0.93834765
Cl       6.63764002       6.91282000       8.34932995       0.05451532       0.32399190      -0.84160196
Cl       5.48305999       9.94460000       0.63832401      -0.41473676       0.19348265       0.50962354
Cl      10.34709998       6.31253000       0.76061990      -0.32511794      -0.10376545       0.05862825
Cl       2.14022999      11.31407005       1.98324995      -0.32696546      -2.20464343       0.45968837
Cl       2.94525002       1.87704004      10.23969997      -0.04349450       0.86088658       0.72222953
Cl       1.86755003       4.68070999       0.72029705       0.29276865      -1.73397671      -0.01271302
Cl       4.72736995       3.73824001       2.30752995      -1.46156572      -0.53332992       2.38121203
Cl       5.55417005       2.72548998       6.78318994       1.35180718       0.69022046       1.40869879
Cl       1.01421001       5.58790003       4.62354003      -1.14197954       0.44454630       1.31780993
Cl       3.60938001       5.21905997       6.90216005       0.01810171       0.11858458       0.16522273
Cl       6.03978996       2.39526001      10.91190001       0.32145955      -0.33506465      -0.64148766
Cl       0.93623800       2.53571005       3.00481005      -0.59497123       0.05534747       0.19936765
Cl       3.13460003       7.31273994      10.70980000      -0.03058351      -0.27091817       0.20416647
Cl       8.84822997       1.36623999       7.99055003      -1.98951147       0.14341165      -3.25713694
Cl       6.50626006       5.25057001       0.87070405       1.41649869       2.16484133      -0.79520847
Cl       3.59562998       8.53063994       5.58857000      -0.24255314      -0.11839274       0.07000290
Cl      11.21080004       8.31752001       6.76246000      -0.24430898      -0.10731256      -1.78109289
Cl      10.69770002       2.03278000      10.79439996       0.86709544       1.02153141       3.65204342
Cl       8.20488002       1.62055005       2.55749998      -0.01970879      -0.03964910       0.05081091
Cl       1.69346001       7.69138001       2.43748995       0.26986915       1.89979749       0.78021145
Cl       8.92036998       9.56593999       1.79724006       1.95974762      -0.31825380      -0.60160282
Cl       2.03639996       1.52754998       7.38258000      -0.45753534       1.09761966      -1.63928031
Cl       6.73124999       8.63592996       4.23693000      -3.46080465       1.19615735      -1.81297291
Cl      11.18610002       4.99919996       8.34217005      -0.16660218       0.21214025       0.22368877
Cl       9.53340000       3.32723995       5.78857996      -0.46855785      -0.24423707      -0.09570639
Cl       4.37168998       0.55632506       4.63391005      -0.82975541       0.13618266      -0.59688593
Cl       0.36349002      10.38789998       9.11236996      -0.28308425      -0.08141659       0.23565585
Cl       4.30732997      10.71180005       9.03853002       0.04692126       0.28378760      -2.55500550
Cl      11.15010000      10.96049996       4.52824997       0.02869897       0.35527997      -2.02408447
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.55940978 stress="-0.009112451786189489 0.0012975768357935086 -0.004794486694085207 0.0012975768357935086 -0.007382937053527627 -0.000529845142526249 -0.004794486694085207 -0.000529845142526249 -0.003497804041855109" free_energy=-228.55940978 pbc="T T T" config_type=melt 
Li       4.63700999       2.36198001       1.34403001      -0.71843936       0.48797395      -0.82122493
Li       3.26348995       5.63447997       9.78225995       0.24135554       0.09996144       0.05699776
Li       2.47654004       0.50171003       3.19550998      -0.75536731      -0.45822055       0.06742625
Li       6.64311994       8.30543001       9.07604997      -0.07792424       0.82074568       0.00981640
Li       3.67215004       1.32411002       8.39020997      -0.64282007      -1.62674567      -0.65751021
Li       1.82795997       9.44117996       9.38909005       0.73935907      -1.51405261       0.18900330
Li       7.02872995       0.75669706       9.53715994      -0.14793639      -0.11572919      -0.36692043
Li       1.20747003       1.39841999      11.25960004      -1.61440903       1.01293184      -0.39415830
Li       1.03843002       9.55701000       5.74067004       0.50706171      -0.10374845      -0.19556159
Li       8.34865000       5.59090000       2.46605997      -0.08996297       0.32681954       0.28667488
Li       8.81712004       2.76126999       5.57889002       0.46042738      -1.32485247      -0.29791242
Li       4.40847002      10.36709999       0.43147801       0.14642124      -0.35745816       0.02453379
Li       2.23172997       8.05250002       1.82404996       0.70148073       0.19589620      -0.32015364
Li       5.03699998       3.10089001       4.84847001      -0.48431275       0.08571588       0.00362790
Li       6.60892005       7.92558000       1.33871001       0.39388676       0.01447692      -0.16051806
Li       4.13624003       9.77754996       6.43378001       0.98450482       0.33951139       0.03142833
Li      10.31699994       5.64260998       5.99692995      -0.41873365      -0.07960632       0.04586680
Li       6.71457004       4.74683997      10.51179996       1.36820104      -2.25164102       1.49372897
Li       2.45062996       6.26755001       6.32449000      -0.35221865       0.46283184      -0.24268859
Li       9.70050002       6.51687999       9.41452000       0.45511080       0.91426153       0.91369615
Li       5.66862002       7.51544000       4.22242998      -0.95017719       0.77458198       0.17693750
Li      10.97469996       2.93907995       8.06723001      -0.46423941      -0.48344696       1.43404226
Li       8.00396003       1.37903997       1.70771996       0.05355030       0.00502656      -0.06646849
Li      10.94959995       7.54894000       3.40955004      -0.50431300       0.64789647       0.17217178
Li      10.22350002      10.39790004       8.08310999       0.16518341       0.58211889       0.60078845
Li      10.11439997       9.00411999       0.04630285       0.13384325      -0.19488655       0.01362398
Li       5.68173000      11.32829997       3.98038005       0.13431436      -0.45712229       0.26655718
Li      10.53869997       0.27893396       3.65972998      -0.42008359      -2.14470138       0.89890781
Li       8.31822999       8.97888000       5.52812000       0.19933114       0.38793746       0.20347232
Li       0.10741801       4.63920001       1.02778005       0.83875169      -1.15212175      -1.48774913
Li       6.47483004       4.98147996       7.45288997      -0.00098711      -0.30693134       0.14857839
Li       0.69325705       3.59673995       4.13453999       0.21678980      -0.12981079      -0.66625965
Cl       7.02109004       3.59858994       5.75704998      -1.16666312       0.57802922       0.01782430
Cl      11.46372625       7.89107000       9.75486995      -0.54301890      -0.02447142       0.25446227
Cl       7.83750005       0.58621198       3.77420999       0.04969680       0.09888407       0.11001783
Cl       5.36193001      10.74440000       8.27060004       0.01230250      -0.15326165       0.54954707
Cl       9.23439003       1.15098002       8.63024998      -0.46073382       0.29991083       0.14679336
Cl       8.42484000       7.25912999       4.11025005       1.65059172      -0.05437324       0.12776270
Cl      10.62420000       2.06398003       2.86331000       0.17004038       1.63635233      -1.06149392
Cl       3.34864995       0.18969898       5.78041005      -0.68382388       0.62029805       0.15563580
Cl       8.51357995       9.11314999       7.83142995      -0.78098898      -1.04911036       0.39642783
Cl      10.85809997       3.14969998       5.97922004       0.90404106       0.67890596      -0.51249527
Cl       6.56098996      10.01560000       0.12319401       1.50936877       0.50192802      -1.08181917
Cl       3.32638001       4.39326999       6.15191005       0.20470706      -0.57956592      -0.20807166
Cl       0.44065196       7.09742999       5.53415995      -0.14466302       0.10102982      -0.12797935
Cl       6.50172994       2.55486996       0.16983895       0.81191023       0.11983124       0.25984598
Cl       2.90846997       8.22107996       7.18847999      -0.13370549      -0.09572835       0.68735546
Cl       6.14643998       9.26328001       4.91744004      -0.14271439       2.04873674       1.44093446
Cl       2.29177001       3.22314004       1.92367995      -0.44798161       0.63120704      -0.07338492
Cl       4.99026997       2.76314005       8.74959004       0.92937766       1.46039161       0.36006005
Cl       2.96424003       7.39721002      11.10039994      -0.26963612      -0.03158937      -0.01660424
Cl       9.05392999       5.28060000       7.93996997      -0.54463250      -0.68002865      -0.67060235
Cl       8.62101000       6.71723995       0.30401700      -0.25876566      -0.17097484      -0.04434462
Cl      10.72769998      10.82260003       6.04976996       0.05952088       0.15688173      -1.49221570
Cl       0.74018402      11.09510001       9.09425995      -0.22266070       1.50611773       0.04188567
Cl       4.35101999       1.38808002       3.13750004       1.60507836       0.25311919       0.74809405
Cl       1.97932997       9.72037003       3.29460997       0.16439767      -0.06943291       0.81532779
Cl       5.95750005       5.87785999       3.35926003      -0.10850788      -3.43683171      -2.06226155
Cl       5.79102999       6.10282998       9.55976005      -1.30182054       2.02126144      -1.70670798
Cl      11.46339998       3.34283997      10.56169996       0.13282446       0.17867709      -0.35536319
Cl       4.75786001       8.76235999       1.97971998      -1.16298122      -0.40321737       1.05510599
Cl       2.84478005       0.38712398       0.19536796       1.51590222      -0.79542204       0.24909564
Cl      10.71000005       9.73466003       2.14251001      -0.87821212      -0.35832758      -0.51899128
Cl      11.05830001       5.39658997       2.79182998      -0.56589818       0.55316126       1.15540419
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.58864511 stress="-0.014611426509463643 0.0009081818890063785 2.843785723027822e-05 0.0009081818890063785 -0.010871068622448845 0.00028154782946137474 2.843785723027822e-05 0.00028154782946137474 -0.01321141581720926" free_energy=-226.58864511 pbc="T T T" config_type=melt 
Li       0.70908303       3.77799997      10.90429999       0.34932908       0.39102760      -0.17907462
Li      10.98749994       6.65061002       1.46449999       0.90820072      -0.61531707       0.42407064
Li       9.43893995       3.97041002       8.93478998       1.22636618      -0.35024190      -0.03698056
Li       8.08579997       1.65380002       5.61830995      -0.52093029       0.03861504       0.06029662
Li      10.71890000       2.96224994       2.99199998      -1.07818320      -0.22515808       1.07454781
Li      10.27420000       0.68363405       0.31224400       0.23859925      -0.26902382       0.83584636
Li       0.43568896       2.45515996       6.58604995      -0.42715231      -0.16120635      -0.08920540
Li       4.64607995      11.43723860       9.68838996       0.90366663      -0.64758046      -0.72529363
Li       2.25922005       9.35716994       6.92921002      -0.36763768       0.25080276       0.13600651
Li      10.21040002      11.16090004       3.87770997      -0.03183809      -0.35398110      -0.83590272
Li      11.17499996       8.71040994       9.08293003      -0.70226569       1.72319413       1.74126886
Li       5.90971005       6.80875999       8.23031994       0.09823654      -0.31045738      -0.00229379
Li       6.60187995      11.08300003       2.66054999      -1.13769013       0.37552932      -2.27233838
Li       8.27040996       0.40181900       8.96801003       0.51226753      -0.06288738       0.35278600
Li       7.50466002       8.61964999      11.30230002      -0.14606197       0.07087135      -0.00956966
Li       5.55234001       2.73898997       2.36797996       0.78873530       1.28264109       0.26158280
Li       5.86915997       3.56115999       9.01615003      -0.01900063      -0.20148727       0.25566280
Li       2.26656005       9.06589996       2.03821005      -0.18294074       0.16007033       0.19802515
Li       2.56958001       3.54667005       3.96492998      -1.48363870       0.16992543       0.48191631
Li       0.13221995       7.48203996       5.25919997       0.20013214      -1.83830594       0.64403312
Li       7.74160995       5.38866998       0.85143695      -0.15644280      -0.11173016      -1.35682740
Li       7.97983998       8.19206995       3.78154999       1.49024153      -0.49298102       1.45156185
Li       0.87867298       0.19846297       9.58397995       0.35985418      -0.12017695      -0.09516306
Li       3.63268001       8.34908003      10.71749998      -0.45814949       1.06043159      -2.24174921
Li       3.08467000       0.19590597       4.73791996       0.63165902      -1.24151722      -0.91375377
Li       6.25868996       9.97551996       6.21637003       0.83432148      -0.85372567      -0.18856340
Li       4.01292003       5.40356999       0.99265705      -0.38444055       0.08778763      -0.11963059
Li       9.72654996       9.83355996       6.61056001       0.24594009       0.71275481       1.12218075
Li       5.56541995       6.38413005       3.89233002       0.28014007      -0.17471988      -0.22962946
Li       2.12014996       5.64004003       7.65732995      -0.14738505      -0.20354709       0.51338281
Li       8.39960001       4.62503005       5.19693999      -0.13314996       0.16932844      -0.31332884
Li       2.52554995       1.65965001       1.28660004      -0.10637960      -0.47349587       0.12850828
Cl       5.69671003       9.22401004       9.71395003       0.09562638      -0.51831581      -0.01088109
Cl       7.67378005       4.70444002       9.57939997      -0.59665854       1.22541546       0.54165640
Cl       1.86114001       5.78597000       0.27139299      -1.39853059      -0.44238248      -0.81995576
Cl       0.68701602       3.14002000       1.59162005       0.92769409      -0.46445445      -1.32639706
Cl       6.63966002       7.44082003       6.16252998      -0.18241792       0.20025079      -0.31615103
Cl       6.26082002       1.31682997       8.84924994       0.24286227      -0.17238840      -0.25640251
Cl      10.40590004       1.34495002       9.79820997      -0.37706715       0.56124183      -0.57723938
Cl       0.54521904      11.26030005       1.50783004       0.41677368      -0.81198375       0.26912591
Cl       4.65920999       0.91537095       2.63856001      -0.81262142      -1.12061574      -0.15563375
Cl      10.14770004       1.27543005       5.31652997       1.04042915      -0.46318521      -0.40028758
Cl       0.45246097       3.99375004       8.51539004       0.68490271       0.13002247       0.00544315
Cl       9.27955998       9.63945996       9.14212000      -1.46127934       0.32972367      -0.08037185
Cl       2.03805001       9.75836002       9.58356001       0.70683539      -1.08331033       0.63356747
Cl       7.90557999       5.44009003       2.85670004       0.50199715       0.66126845       1.96441671
Cl       3.87797995       7.68171000       1.03329001       0.71297257       0.42569347       2.46294894
Cl       6.95370999       3.08638998       4.52708004      -0.93949530      -0.31270589      -0.17526190
Cl       4.51367004      10.95590003       5.93134005      -0.49349803      -0.39441470       1.29919317
Cl       3.13546994       0.70044195      10.77020001      -0.91839953       1.79837498       1.00745266
Cl       9.21513003       7.23648999       0.45903803      -0.07796880       0.26992532      -0.58404668
Cl       0.31170701      10.62969999       7.32484003      -0.04269608       0.97042409      -0.66016817
Cl       1.91467005       1.70336996       4.58314002      -1.92544398       1.19718989       0.59994694
Cl       1.36500001       8.78938003       4.38149996       2.14377090       1.21244508      -0.97017491
Cl       0.38811403       5.20173997       3.90376002      -0.38559177       0.32017507       0.60746767
Cl       4.46815994       4.81831001       7.84006003      -0.58917907       0.78577244      -0.12885407
Cl       8.89635999       1.15775002       1.89148997      -0.44545514       0.10298075       0.27893783
Cl       7.45863002      10.79869999       4.32345998       1.75115137      -0.01276577       3.55634786
Cl       9.17919995       3.45863997       6.92091000      -0.28233761       0.33629119      -0.26230857
Cl       6.57435994       8.54684000       2.50848996      -1.69635105       0.30530024      -2.04104962
Cl       9.89002005       8.57036998       5.01395002      -1.47756070      -0.08105897      -0.98092850
Cl       5.81204000       4.20937996       0.58605102      -0.10956478      -0.48482543      -0.57107297
Cl       0.78150702       7.63749996       7.99564005       1.88207961      -3.54451493      -2.95395753
Cl       3.94181994       4.57740995       3.07283003       1.52061869       1.28898772      -0.02773395
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.06363255 stress="-0.014925438968182953 -0.002518659077664654 -0.0035472087323070744 -0.002518659077664654 -0.0022299958716261903 0.001185822970660589 -0.0035472087323070744 0.001185822970660589 -0.003703120431901886" free_energy=-228.06363255 pbc="T T T" config_type=melt 
Li       8.48454998       3.67296996       0.56329603       0.13576393       0.31531764       1.54632276
Li       6.65139005       7.02755004       6.67324005       0.06560915       0.11187928      -0.19466268
Li       4.18980998       5.55042994       4.10599004      -0.83534313      -0.27322805      -0.07814183
Li       7.18646996       2.20929999       9.36330998      -1.05854810      -0.47528406       0.23202684
Li       9.23614005       7.75341999      10.19959998      -0.53299648      -0.20514611       0.01980456
Li      11.10930001      10.07249998       2.64686003       0.62066277      -0.02945413      -0.18000970
Li       0.90955202       9.85010005       9.26579000      -0.30887161       0.08951987       0.41076441
Li       9.71801997      11.24440001       5.59415001      -0.12532375      -0.40145488      -0.03476583
Li       3.45806997       1.12367004       9.80823995       0.94486939       0.45285920      -1.06234833
Li      10.19409999       7.57721000       6.44243004       0.93245849       1.45766576       0.71032394
Li       6.31477998       6.01054997       9.92986003       0.11488438       0.32098191       0.64719177
Li       5.24723998       0.74480000       0.61535796       1.35195831       0.40961459       0.07701802
Li       4.15301995       8.73007004       8.18720003       0.67492295      -0.05454340       0.68011324
Li       1.77264998       2.08483998       6.30210003      -0.09657591       0.03061173      -0.17136040
Li       3.55825001       4.07574004       8.27923000      -0.56943450      -1.45923798      -0.46004673
Li       2.51973997       1.11665000       2.24228994      -0.00166529       0.57949032       0.57905094
Li       4.68434004       2.16863997       5.10682994       0.32040815       0.24528989      -0.01176523
Li       7.43526994       2.09256003       3.34120998       0.00895005       0.08158069      -0.31112687
Li       3.33497994       9.41620995       1.18302004       3.46910759       0.35694191      -0.80245992
Li       7.29549996      10.53939998       8.26158005       0.39597907      -0.59995862      -0.00301759
Li       2.63007002       5.95681999      10.59940001       0.51895380       0.35590639       0.25657207
Li       6.92463004       9.36369002       0.76001505       0.03910029      -0.36087131       0.09386427
Li      11.23780003       3.69814002       9.51435004      -0.06293595      -0.16166684       0.17481959
Li       2.46284997       9.74534003       4.77716998      -0.41722722       0.14706574      -0.13915462
Li      11.01539999       2.15527996       2.98808000      -0.46274047       0.47708030      -0.15691800
Li       4.29303000       3.81288004       1.32762004       0.90134686       0.29854746      -0.94279944
Li       6.55241995       9.71138994       4.51148999       0.15264542      -0.02650969       0.70749479
Li       8.88106000       3.41788996       6.17688005      -0.03988908      -0.10129616      -0.45290153
Li       8.48479005       5.92679997       3.54201005      -0.74829806      -0.11096110      -1.18216237
Li       1.75246001       6.50267999       7.25832004       0.50142792       0.42962963      -1.08097052
Li       2.03250004       6.60252997       2.37249998      -0.94434452      -0.03715139       0.47174964
Li       9.49308002       0.60590898      11.22189999      -0.32318187       0.21171466       0.30606028
Cl       6.08285003       6.07028002       4.72792001       0.56883855       0.12656465      -0.12252917
Cl       2.19777002       2.45809000       8.68225998      -1.37587998      -0.63413733      -0.57819369
Cl       2.75568001       4.42478003       5.62867996       0.17967810      -0.50057997       0.37115984
Cl       7.38657002       1.68607999       0.33954504      -0.04882609      -1.20411826       1.51158820
Cl       6.01044003       0.17820902       9.42899996      -0.45686615      -0.14501771      -0.40613717
Cl       3.79927996       6.88128004       1.24805002       0.89940228      -0.32363543      -0.41252743
Cl      10.62600001       2.20849004       0.79148599       0.76928623      -0.17051513      -0.69722452
Cl       9.21478003      10.81760000       3.34436002      -0.74856772       0.00385600       0.15294817
Cl       3.18030995       0.63028801       4.87656002       0.99252837      -0.06388130       1.15981570
Cl       7.64478000       9.49360004       6.39408998       0.35829959      -0.11659003      -0.12521537
Cl       1.57080998       8.99949002       1.56509996      -3.82654000      -0.21841012       0.83672049
Cl       4.53618004       5.71710006       8.57685005       0.86754135       2.05992221       0.15315158
Cl       3.95010999       8.95482003       6.08875998       0.69431952      -0.33193562      -0.31615330
Cl       2.29546999       4.01382995       1.61550003      -1.50363341       0.12859635       0.12648687
Cl       9.18391005       6.19961005       5.45022996      -0.23981989      -1.21280590       0.59778993
Cl       7.66192999       6.36387003       0.87589897       0.47185995      -0.12919020      -0.04478674
Cl       9.68011000       9.96016001      10.48930005      -0.00011009      -0.02492285       0.22250294
Cl      10.42539998       1.63424998       6.56928001       0.21384034       0.73958643       0.21944925
Cl       4.99870000       2.84128998      10.22050005      -0.35724804       1.36229408       0.32235608
Cl       6.96302002       1.76231997       5.54636998       0.24002826       0.25955461       0.46547892
Cl       2.23154998       8.18339997       8.92725004       0.58008374       0.60258723       0.84004469
Cl       7.83722996       6.85128995       8.53277001       0.89804556      -0.13794869       0.15776608
Cl       5.83745000       8.57734003      10.46570002      -0.44712707       0.10993406      -0.29042488
Cl       5.73470999       9.98860999       2.65804000      -0.76913398       0.33789974      -1.47320560
Cl       0.89236099       7.14912999       4.53690997       0.36572934       0.40880973       0.08354566
Cl       0.80041999       0.50834704       3.57257004      -1.11842546      -0.57194587      -0.65324346
Cl       5.00503998       2.52688004       2.85873999       0.59835962      -0.28257600      -0.00685483
Cl       1.04067003       5.61837999       9.04569004      -1.46611899      -1.56989895       0.67998757
Cl      11.25729996       9.50184996       7.51210997      -0.89325223      -0.00058927      -1.27413977
Cl       3.21507997       0.50258395       0.24981297      -1.26094075      -1.34068212       1.06457838
Cl       9.22907003       3.81765995       3.10560996      -0.38639939      -0.51660616       0.33638823
Cl       8.66727995       3.54360003      10.00750003       1.57937586       1.28144861      -2.54968819
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.22839465 stress="-0.0076409669202932365 0.004609315636070478 0.0022753272533584585 0.004609315636070478 -0.0030277583488752904 0.0005570776769631915 0.0022753272533584585 0.0005570776769631915 0.0005427959306794549" free_energy=-229.22839465 pbc="T T T" config_type=melt 
Li       0.70829704       6.39430001      11.22180002      -0.29027852       0.97406495       0.55108208
Li       8.43182003       0.19542803       7.42214002      -2.22451284      -0.79457565       0.34035133
Li       6.32427997       8.18717000       1.25474001      -0.29091214       0.21215292       0.04274774
Li       9.12264001       6.76545998       6.70944997       0.20068698      -0.10801374      -0.51351898
Li       9.91066000       8.54649000       9.41635005       0.38294204      -0.33533043       0.01911215
Li       4.14394999       5.03753995       0.14304200       0.00420722      -0.03585344       0.13802157
Li       0.41932198      11.31659999       8.74676994       0.42992379       0.74631461      -1.38539046
Li       9.11249997       1.61863999       2.71392997       0.37923854      -0.26586234      -0.06933493
Li       2.03412006      10.14099997       0.34548204       0.51867464       0.10279138      -0.02079393
Li       1.08082000       8.39345000       5.21675003      -1.64155260       1.30737004       0.54668254
Li       7.98311005       5.08066995      11.26810000       0.04179503       0.31101317       0.34743590
Li       3.00849995       0.24022103       6.15505997       0.06888741       0.30658349      -0.46279855
Li       6.31744004       4.22489996       8.48404005      -0.78179461      -0.27901175      -0.12689095
Li      10.97689995       1.98550004       5.53950001       0.24735877       0.36634135      -0.91277532
Li       2.56460004       4.32591998       8.59989004       1.07584997      -0.18557149      -1.62449605
Li       2.45060004       8.18959997       8.40092001      -0.72816672      -0.52346745      -0.60904334
Li       5.74566996       0.27778295       2.59645996       0.14711905      -0.08374194       0.08540097
Li       3.41137997       2.69989998       3.01647003      -0.10432586      -0.72140276       0.70316763
Li       0.99765605       2.81788004       0.94259105       0.01721090      -0.04591121      -0.07319155
Li       4.67151002       0.03006450       8.85829996       0.32439381       0.42227367       0.38310578
Li       1.94858002       5.14540002       5.05735000      -0.26636529      -0.22606918      -0.10274101
Li       8.35432000       9.44088005       4.61704002       0.58857712       0.51914029      -0.81409573
Li       5.10609004       1.76349999       0.05171995      -1.21133517       0.59435412      -0.44193063
Li       5.71801995       8.33348998       9.29684995       2.30140745      -1.18355734       0.12154041
Li      10.04699998       9.07221001       1.45336003       0.06147720       0.17982314       0.18338960
Li       3.55500000       8.14523997       2.95993003      -0.00498344       0.27280838      -0.19055665
Li       5.47096999       6.85764998       5.84942995       0.05516555       0.06964560       0.75843119
Li      10.90539999       4.58476004       8.64287995      -0.03949690      -0.10677734      -0.36756227
Li       6.32994997       2.34166003       5.23746003      -0.90554125       0.82024733       0.79855346
Li      10.00399999       5.65482998       3.20428004      -0.13144585       0.39066229      -0.34014518
Li       6.18121000       5.17064999       3.37593001       0.15623961      -0.80142331      -0.20766848
Li       9.03497999       0.51772597      11.06389997      -0.31005488      -0.77857524      -0.13272306
Cl       7.44795998       8.43992997       6.21286001      -0.86199211      -0.62060470       0.82811002
Cl       2.95976999       1.37880002      10.60190003      -1.17064563      -2.25396431       0.41383518
Cl       1.01123996       3.44720997       6.46435995       1.13452342      -0.10995594       0.91512764
Cl       6.40481998       1.21187002       7.39312003      -0.81477685       0.02878341       0.65704346
Cl       8.56623997      10.46820004       2.29815997      -0.24426157      -0.76683999      -0.32405171
Cl       2.27417004       4.38114996       2.48804995      -1.37763874       0.58057838      -0.08966862
Cl      10.36099996       8.32377996       4.83125995       0.15435060       0.22941728      -0.32744342
Cl      11.11889997      10.34370002      10.35009995      -0.10285619      -0.81584201       1.41141540
Cl       2.46771002       7.88275003       0.99880695      -1.18698817      -0.72457968      -0.91039651
Cl       5.54816999       4.53113003       5.42304998       0.09837430      -1.00050424       0.56389607
Cl      10.30529996       2.03544005       0.28221985       0.47822495       0.98867677       0.22949782
Cl       8.34686994       4.98767996       8.31027000       0.55385232       0.03053064       0.51786234
Cl       3.72933994       0.68686698       4.13247000       0.32668454       0.41643426       0.10141564
Cl       8.11727996       4.70355005       2.38528999      -0.02542706      -0.36041091      -0.59720816
Cl      11.26639997       0.84556300       3.49154005       0.06886628       0.52943697       0.03813183
Cl       9.92241994       6.95203999       0.82592595       0.39517651      -0.18318342      -0.41069522
Cl       7.92848998       9.38501003       9.46262000      -0.36070412       0.29657901       0.04623000
Cl       5.37450002       7.07381002       3.74303999       0.80145056       1.32840061      -2.01457437
Cl      10.25209996       0.71801703       7.06730003       1.70445593       0.07318267       0.71907382
Cl       2.62931005       7.28827001       4.80046001       0.20253319      -0.64041308      -0.75331588
Cl       0.03521987       6.77049004       8.60826000      -0.54020925       1.41976304      -0.24848272
Cl       1.45566997       4.72546001      10.20240002      -0.95087694      -0.96509890       1.68669072
Cl       4.09245004       9.32170003       9.02737998      -1.19884091       2.18575647       0.41146499
Cl       1.63772996      10.26310006       6.93617996      -0.23617395      -0.44011271       0.38777782
Cl       6.07925001       6.59263997      10.76370000       0.02532557      -0.20669018       0.82894554
Cl       4.36314003      10.06880000       1.65376998       0.85103920       0.19375146      -0.00852215
Cl       4.33536999       3.58243998       9.87787995       1.93928779       1.33354008      -1.17356681
Cl       3.74755004       6.60048004       7.41268004       0.19027990      -0.79200474       1.06119823
Cl      10.29120004       5.11484004       5.22638003      -0.32652082      -0.13777935       0.36823868
Cl       6.86809005       0.78208298       0.01667606       0.64532231      -0.45167727      -0.12722996
Cl       7.62864999       1.04937004       4.42245003       0.59329709      -0.61038911      -0.84937462
Cl       4.97522001       3.20719999       1.69721995       1.16447882       0.32477736       0.02520963
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.77700399 stress="-0.011445441627305514 0.002537709717652622 0.004248032234175015 0.002537709717652622 -0.01409391616183044 -0.0016065131313143177 0.004248032234175015 -0.0016065131313143177 -0.014131160738505268" free_energy=-225.77700399 pbc="T T T" config_type=melt 
Li       3.61382998      10.94890005       9.14554002       0.31732560       0.26870036       0.84334279
Li       7.61115000       6.51652999       8.40264000       1.11981896      -0.28674329       0.03116463
Li       8.53668002      10.91419997       8.57115001      -0.17741824       0.39684410       0.05804170
Li       0.62108597       2.06352995      11.27030000       0.66082553      -0.84365117      -0.92672225
Li       6.19611998       9.52944001       6.49765004      -0.21873055       0.02644424       0.20142268
Li       3.42533005       1.70924001       1.48356004       0.33522478       0.04817699       0.08749672
Li       2.89817001      10.98809998       5.28274004      -2.40934881       0.74304901       0.89706474
Li      10.48299997       4.85725004       2.97352002      -0.76355074      -1.32027157       0.32199352
Li       0.59695905       9.83201997      10.36679997       0.64624154       0.10746881       0.22612276
Li       9.65956005       0.40523800       5.31537001      -0.86109418       0.36250515      -0.55499480
Li       9.43900003       3.75739006       9.74171996      -0.06131856      -0.36186190      -0.24596792
Li       7.05614001       0.99396397       3.43725003      -0.47851345       0.21299575       0.35146214
Li       4.19581004       5.90347004       0.38997698      -0.32986737      -0.20710269       0.14245897
Li       0.88455301       1.21188997       7.54073994       0.72275689       0.57488926       1.83645549
Li       3.62257001       7.78375998       8.52257998       0.20145039      -0.08134263      -0.36834540
Li       6.36577000      10.05679999      11.05619998      -0.23395619      -1.24134452      -0.25183992
Li       7.10383004       4.33923001       3.86965998      -0.17017728       0.61480785      -0.07055741
Li       6.57248003       2.26457994       7.07329000      -2.93943165       2.62838281       2.63574798
Li       0.54349102       6.05062004      11.22009998       0.01356523       0.08464495      -0.36930731
Li       8.60557002      10.93700002       0.91160596       0.32762300      -0.31241477      -0.77705988
Li      10.82410002       8.54662998       6.27392003       0.16949346      -0.11211278      -0.31114877
Li       1.90826003       5.35550004       4.15374003       1.03952260       1.24529534      -0.90896446
Li       0.45985096       1.60525005       3.02132997       0.41981152      -0.23754191       0.13270650
Li       1.33660998       8.20633999       2.59894003      -0.73237208       0.93473432      -0.24803691
Li       4.56260005       8.39324995       3.27843995      -0.40895490      -0.57877024      -0.09248656
Li       9.20645994       7.56295004       2.73458998      -0.33187469       0.15496585       0.10095582
Li       5.26438997       5.23782001       6.66495000       0.39189689       0.97699457      -1.12259539
Li       3.55303995       2.78888997       5.26956001      -0.28577735       0.82365246       0.73644188
Li       8.12939003       6.43621995       0.24341005       0.37235118      -0.05517748      -1.94911657
Li      10.43690003       4.27602996       6.17374996      -0.71127167       0.05633894       0.32929623
Li       6.64067003       2.91302003      11.36850004      -0.12091665      -0.02851439      -0.39342792
Li       2.98648004       3.48257005       9.05431003      -0.12940614       0.48914213       0.12240087
Cl       9.08685999       3.50633000       4.41684995       0.87233317      -0.22780808      -0.64823927
Cl      11.33870002       6.65351002       2.40716005      -0.65403528      -0.27943721      -1.18878456
Cl       4.52340998      10.19760004       4.67031005       3.07852437      -1.31441262      -0.95759089
Cl       7.67239998       1.29034003       6.09386995       3.17862389      -3.38551219      -2.04591290
Cl       4.56732998       3.53047997       0.76837297       0.20205961       0.05784317      -0.00928971
Cl       5.61486998       3.00113002       4.91262997       1.18316997       0.11269597      -2.13012867
Cl       6.51767997       0.11602195       0.81221604      -0.89143626       2.27650214       1.40050602
Cl       0.19776697       0.43559002       5.89200003       0.86323656      -0.27852204      -1.90141242
Cl       2.26403000       8.58505997       9.91695996      -0.66875552       0.27218975       1.49837535
Cl       1.01442003       4.20835998       5.54478000       0.24445242      -0.53229446       0.11241388
Cl       2.90185004       9.92407997       7.51575996      -0.24500836       0.31777185      -2.17147699
Cl       2.58715005       5.61436004      10.06529995       0.13503097      -0.82836437       0.03867952
Cl       4.59321002       3.48981995       7.38513000      -1.44070479      -0.96464598       2.23202351
Cl       7.24781005       4.99165004      10.01419999      -2.42358605      -0.81250181       0.49762713
Cl       9.28302999      10.12990002       6.50641001      -0.85851363      -1.55706047       0.73190824
Cl       0.16751996       3.06285003       8.46550002      -1.04976972       0.70075213       0.39846322
Cl       7.58658995       6.07220006       2.12119000      -0.23717557      -1.27025795       2.12499426
Cl       7.63700000       8.57995997       0.52567198       0.58127528       0.34882480      -0.04181583
Cl       2.88947997       1.56368997       3.75838997      -0.85114049      -0.52097325      -0.46175035
Cl       2.92459001       7.64170001       1.63582999       1.85194213      -0.06070094      -1.45904876
Cl       8.79308002      11.23109996       3.02118001       1.07262906      -0.17337987       0.83223842
Cl       1.99742003       0.15404702       0.96653603      -1.01867778      -0.34563407       0.14047807
Cl       8.11497003       1.86575002       9.90380000       0.10712225      -0.09676781      -0.27963487
Cl       5.74621004       7.12019002       7.67125997      -1.09443071       0.82724651      -0.34081950
Cl       5.95118999      10.24180000       9.05643001       0.10800944       0.25281318      -1.41480111
Cl       0.97379097       8.41200998       4.54793001      -0.18195922       0.59049777       2.22381117
Cl      10.16539997      10.64249997      10.12920001      -0.51284160       0.19481740       0.33931182
Cl       9.72962996       5.94996996       9.86641005       2.71595478       1.38537638       0.36414533
Cl       4.20240005       5.88599000       3.73305001       0.16001047      -0.13121568       0.94706892
Cl      11.20599995       3.11505000       1.39652999      -0.29087399       0.55105762       0.55900857
Cl       2.47462000       1.42774000       9.63316996       0.29922032      -0.42276226      -0.27344072
Cl       8.50881001       6.33483995       5.84652994       0.39138721       0.23067880       0.41908914
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.86633326 stress="-0.005262133731417385 0.002818633227680662 -0.0013040338579879995 0.002818633227680662 -0.003962953177303035 -0.0003624685770973397 -0.0013040338579879995 -0.0003624685770973397 -0.0034436778869267595" free_energy=-229.86633326 pbc="T T T" config_type=melt 
Li       5.89403001       9.08298999       6.92583001       0.89407031      -0.88853814      -0.37472065
Li       0.08974892       8.05253005       1.81233003       0.14419577       0.12327718       0.29274117
Li      10.34450000       2.38862002       1.73924994       0.54691343      -0.00610205      -0.23121280
Li       6.62875004       5.12789006       7.17555997       0.53279898      -0.35493640      -0.14039552
Li       7.12803996       0.08581988       0.94410995       0.42431328      -0.01248616      -0.29766526
Li       8.66138994       8.06463003      10.49840005      -0.09148632      -0.19417414       0.20226620
Li      10.62729994       4.95183999       9.62273002       0.38754687       0.87700048       0.17649857
Li       3.00651995       6.59259996       6.87237001       0.23997923      -1.74823700      -0.24114012
Li       3.16865995       9.55633005       1.66453998       0.08215778      -0.06685935      -0.26077964
Li       0.33777495       0.04965054       3.82754996       0.12931333       0.69207786       1.42475594
Li       8.19227000       1.81546001       8.26982998      -0.05850936       0.10103067       0.94778227
Li       2.26685996      10.19730002       6.27152995      -0.07459357       0.19894498      -0.19183230
Li       4.03297003      10.02510000       9.46298995      -0.26092940       0.25325565       0.63542828
Li       2.96578003       3.23165995       4.44526005      -0.08646628       0.85107325       0.18099482
Li       4.84938005       5.79820995       1.27531999       0.65475787       0.10918035      -0.48741985
Li       1.35106999       2.40181001       8.44287996       0.35875746       0.00759952       0.04415354
Li      10.37420005       2.91247995       6.26557002      -0.35056808      -0.42123414      -0.70109378
Li       8.02123005       0.76720006       4.55905999      -0.06157308       0.36161325      -0.05287707
Li       0.21297996      10.93660003      11.18769998       0.06597440       0.16697353       0.29671803
Li       9.42881997       5.73680005       2.49616001      -0.18778923      -0.33043542      -0.35897146
Li       7.54766001       8.82574003       2.73612997      -0.58749899      -0.50251306       0.79718766
Li       1.88396997       5.18182995       0.92994400       1.18416520      -0.29707488      -1.00287582
Li       4.23766005       3.88683003       9.81812996      -0.06376434       0.04289088      -0.26686890
Li       7.53455003       3.57125004      11.20360002      -0.51492216       0.57182399       0.04726797
Li       6.28805995       3.35003999       2.82923999      -0.43992570       0.22933747       0.09136437
Li       4.46157005      11.35880000       4.03407002       0.85931194      -0.28637367      -0.11184440
Li      11.31333209       6.23840999       5.50859002       1.47929548      -0.23310653       0.81445735
Li       3.54242002       7.08956996       3.87092999       1.51944851       0.94376185      -0.80451184
Li       2.88455996       1.49096998       0.92091897       1.12901229      -0.08577069       0.11655235
Li       1.24519003       7.79966002       9.71497998      -0.89841933      -2.14268122      -0.65629209
Li       4.41287999       1.48031003       7.15335000      -0.21732843       0.60478307       0.18864348
Li       9.96208005       9.08115995       7.69186999       1.22157822      -0.31445195      -0.73581276
Cl       5.75911997       1.59076998       4.38730994       1.10988792       1.29063452       0.42187700
Cl       7.27341001       6.09789002       0.12292597       0.42546983       0.30894117       0.04961469
Cl       0.02531989       5.22193006       1.51348995      -1.87358002      -1.09788943       1.26106481
Cl       1.88500004       5.43967995       9.49907996       0.14782549      -0.16942926       0.24905354
Cl       9.84911000       6.98448000       4.40791997      -1.27083817       0.61710310      -1.05507092
Cl       0.24121992      11.33970005       6.43958002       0.12729615      -0.22474258      -0.07632513
Cl       5.10413997       3.57875995       0.42089201      -0.69831018      -0.19034493       1.20658860
Cl       0.90104805       1.79669000       0.40721994      -1.43507161       0.34836177      -0.24419602
Cl      10.73239999       3.12249994       8.39067003      -0.49279040      -0.29586925       0.24716698
Cl      10.80700001       7.51175996      11.34099999      -0.01991226       0.87151884      -0.20786674
Cl       2.35701999       3.16851997       6.51661998       0.28995166      -0.21648772       0.24533743
Cl       4.58135997      10.66500000       7.35985997      -0.54445522       0.65988482       0.00773790
Cl       0.37739195      10.57200004       2.03978995       0.27307557      -1.57521590      -0.91137722
Cl       8.48440003       9.65539003       1.13154004       0.48120037       0.46107874      -0.76841195
Cl       1.89272994       9.52855004      10.37540002       1.04872025       2.17686319       0.62385689
Cl       5.64871001       6.08589001       3.30459994       0.04482856      -0.21297170       0.50859365
Cl       8.13463001       1.46085997      10.78980004       0.34291811      -0.37834775      -0.48789773
Cl       9.97375997       7.01085003       8.56989994       0.22244882      -0.97574863      -1.12137357
Cl       6.41403004       3.88537006       8.92943995      -0.81465381      -0.08143408       1.34323802
Cl       6.88034995      10.25749998       4.37770998       0.33780858      -0.82524636       0.34612607
Cl       5.10662003       6.59487000       7.23688997       0.27234540       1.10261163      -0.12562836
Cl       3.07957000       1.39868998       3.45731000      -1.92521167      -0.20594949      -1.36265335
Cl       3.16323001       1.77944004       9.61786997       0.54639298      -0.34762682      -0.40179444
Cl       5.13675000      10.70109998       0.68157598      -1.16993282      -0.15445778      -0.09224973
Cl       3.47314997       9.47066998       3.97701998      -0.57691885      -0.64124821       0.23553392
Cl      10.28900004       1.74891995       3.95336998       0.03825293      -0.05785257       0.71670396
Cl       8.28771999       9.62778003       8.62684004      -1.78804611       1.02167230       0.41219986
Cl       8.33344000       3.22047001       2.08561004      -0.22771394       0.68874150      -0.13707303
Cl       1.98032002       8.24545004       7.15305995      -1.30221401       1.03034238       0.52969650
Cl       2.02930001       5.97110998       4.46148005      -1.38730931      -1.29087581       0.92466706
Cl       2.88860994       7.06886994       1.23253003       0.43616876       0.67716537       0.18573060
Cl       7.69094001       3.11563995       6.59090003       1.42255092      -0.56283026      -1.86336705
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.49256781 stress="-0.012593901164232993 -0.0004516748968903691 -0.0005727713836828944 -0.0004516748968903691 -0.019892210419401972 -0.002188679209567455 -0.0005727713836828944 -0.002188679209567455 -0.00841716862231223" free_energy=-227.49256781 pbc="T T T" config_type=melt 
Li       7.37017003       8.12953001      11.04400004      -0.01651395      -0.20758209      -0.35753299
Li       2.93365998       6.37359002       8.49299996       0.00148811       0.59235652      -0.64636976
Li       6.97599999       4.38478001       5.40542996      -0.60399818      -0.09329698      -0.40847480
Li       8.29585000       9.56245003       6.16054999      -2.46947230       1.32172246      -1.17172543
Li       3.81899004       9.89477005       2.28567995      -0.07075764      -3.46287331      -1.34145012
Li      10.51520003       9.69434004       2.07297995       0.22905160      -0.34646283       2.35698654
Li       0.11527299       8.88919000       9.36981000      -0.75285041       0.15415728      -0.10861140
Li      10.00210001       5.89336004       8.00630000       0.36926535      -0.16125600      -0.69821181
Li       3.55413995       3.32017004       7.41251002      -1.28103238      -0.30625618       0.97144338
Li       9.47513005       1.91077002       3.89012005      -1.35937779       0.20987601      -0.08293534
Li       2.26874996       0.74172700       8.42966004       0.23632940      -0.54078721       0.40003868
Li       6.75047995       7.01522995       7.66061997       0.42075352      -0.02076753       0.30379042
Li       0.09487208       2.78716998       6.21927003      -1.17201177       1.72119164       1.28280980
Li       0.91006597       2.41341003       2.11014004      -0.16779038       0.19296609       0.14152720
Li       6.82695002       4.13344000       2.26706999       0.73372221      -0.90465225      -0.92097733
Li      11.17639998      11.04939995       5.44340997      -0.19474850      -0.25339909      -0.01806971
Li       6.96065001      11.33580002       3.27548996      -0.29859798       0.54946028      -0.79806316
Li       8.64873005       2.63240002       7.99438002       1.20166668       0.28008968       1.72298770
Li      10.60270000       0.24267898      10.14110005      -0.08117150       0.52775161       0.46398261
Li       1.96715995       6.92059003       0.55395298       0.76155209       1.11625396      -0.82045435
Li       3.90479995       5.21944001       3.04382002      -0.33890604       0.00849965      -0.34775200
Li       1.22629002       4.06133999      10.09460002      -0.91162503      -0.51165217       0.29413240
Li      10.67169995       6.00076005       0.87195595      -2.17524809       0.73519312      -0.12083830
Li       9.11135996       2.78856002       0.72938501       0.41099722       0.18200440      -0.45371650
Li       6.25850000       0.00606311       9.88994003      -0.33338296       0.15098690      -0.03742997
Li       3.41013999       1.15789997       5.06802003       0.39179167      -0.17043276       0.25276048
Li       1.13009003       7.81805996       4.96963003      -0.44436064      -0.81116710       0.17683508
Li       9.81977004       6.04653004       4.14029002       0.21583222      -0.71822752       0.95066981
Li       5.56519995       4.12618999      10.58700002      -1.23764268      -1.85945525      -0.62587134
Li       4.59758995       1.54200999       1.31725002       0.05308112      -3.21722681      -0.53310516
Li       6.24803999       7.99371004       2.81090001      -0.14314644       0.31141491      -0.00811681
Li       4.74841998       9.45686000       7.24237002       0.35707448      -0.74890192       0.05917196
Cl       9.36554999       4.34099001       2.73414998       0.22416705       0.62348310      -0.41137547
Cl       9.03563999      11.15829994       3.82018003       1.65106277      -0.37383033       0.59122297
Cl       0.12991987       2.14489997       0.00171987      -0.26559799       0.03720694       0.26114817
Cl      11.44292397       2.37733997       4.32239002       0.70925289      -0.59752283      -2.76346665
Cl       9.89619001       8.72460995       6.66170996       2.35886851      -1.21156918       0.71405999
Cl       0.93297102       9.70583997       4.04982997       0.23932660       0.78606772      -0.26039481
Cl      10.04110000       7.56613997       2.78657006      -0.12002714       0.85111774      -1.08855247
Cl      10.17129995      10.13189997       0.20487998      -0.33890169       0.24565160      -2.08600202
Cl       3.17533996       4.52871003       9.33851997       0.76669701      -1.23344183       0.44909425
Cl       0.11386896      11.04819998       8.34864003       0.40505822      -0.33560972      -0.14849244
Cl       4.34794000       0.00731994       7.39756003      -0.26740899       0.78138119      -0.20707047
Cl       1.73748995       1.74432002       6.53678003       2.53263438      -0.79021529       0.07876641
Cl       0.26752001       5.68077996       5.65806005       0.19979506       0.33444452       0.11484919
Cl       3.85176997       0.13218796       2.98359999      -0.75024519       4.06557021       2.14589912
Cl       4.19772996       0.88138199      10.71389997      -0.27030594       0.04202238      -0.50486019
Cl       6.43320003       9.63803999       4.40862995      -0.53955921      -1.31516395       1.69935519
Cl       5.89407002      10.16600001       1.37331998       1.00911303      -0.96948351      -1.09302969
Cl       6.61530003       9.13819004       8.88528997       0.55735179       0.31430533       0.33290460
Cl       5.98869997       5.73764003       3.14733994       0.53736252       1.44818686       1.69446743
Cl       7.76458001       2.02346000       2.18889002      -1.28695776      -1.12413259      -0.12661570
Cl       6.62403994       5.58504003      11.25034504       1.35102476       2.03496330       0.63310059
Cl       1.89886998       7.70039002       9.75146998      -0.25153776       0.35758241       0.73308593
Cl       9.67215998       6.74558997       9.93680005       0.34525664       0.33023758       0.94031107
Cl       4.66896002       3.37694998       1.61203003      -0.62567318       3.10611189       0.41738301
Cl       1.00512995       5.36720002       1.37600996       0.91098552      -2.14473213       0.47392895
Cl       8.15594004       5.41627001       6.84669999       0.00323596       1.91170352       0.57176883
Cl       4.60067006       7.17830005       7.41027999      -0.39451769      -0.06459329      -0.85852231
Cl       3.37425003       7.41809003       2.13975996       0.32885303       0.58859233       0.45109170
Cl       8.15296001       2.71564995       6.16686004       0.16047031      -2.03712831      -3.19336897
Cl      11.24330002       3.08944006       8.32964005      -0.87780103       0.89069622       1.00335381
Cl       4.96726999       3.47687001       6.08638997       0.69438767       0.12973462      -1.57978380
Cl       7.54297995       2.12982994       9.68130997      -0.32634114      -0.40116398       1.13831397
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.49478463 stress="-0.013692201487153294 -0.0025356575781086323 0.005056399603406322 -0.0025356575781086323 -0.01786532619962195 -0.003000856052686199 0.005056399603406322 -0.003000856052686199 -0.012507655816369282" free_energy=-225.49478463 pbc="T T T" config_type=melt 
Li       9.29349997       4.68580002       8.72877996       0.76071752       3.02993164       3.62349908
Li       2.87742000       4.12693000       7.32960998      -0.73646043      -0.87840050       0.43677650
Li      10.11380005       8.78833002       4.37490995      -0.15541653       2.57763998       0.21998834
Li       5.82301006       4.60438999       8.88488998      -0.18058523       1.57813857       0.67088423
Li       7.10383004      10.04290001       2.80952005      -0.35228770       0.49321645       0.18009441
Li       0.20833497       2.28932995       9.59728000       3.74173886      -1.27155718      -2.83384421
Li      10.18399996       0.68146295       1.13595000       0.50680408       0.02901690      -0.23961301
Li       7.88693002       2.71075001       3.25252999      -0.69761706       0.12570119       0.02295463
Li       0.19889597       8.33854997       0.68081602      -0.71301573      -0.32169434      -0.79532502
Li       8.18831998       5.73308998       4.32590004      -0.10169331       0.28706227      -0.28530462
Li       4.86025002       7.77452997       8.54071005       0.23452459       0.73382872      -1.09554018
Li       3.94654999       8.26618996       5.37009005       0.16918031       0.02638244      -0.52130619
Li       1.31985998       9.18912996       8.26107001       1.32784873       2.18018389      -0.49977484
Li      10.54370000       3.94061998       1.25737003       0.46322791       0.31378160      -0.22906769
Li       4.65788002       2.34651997       0.64453604       0.24154690       0.13653185       0.14939535
Li      10.89430004       0.55840605       6.57688999       0.55016208       1.21514282      -0.34457468
Li       7.30990001       2.14418999       9.94433999       0.27006518      -0.90694331       0.26468764
Li       1.56067005      10.22210001       3.59741004      -0.14952025       0.03085833      -0.16700217
Li       1.25572995       2.40902999       3.99332001       0.80441170      -1.08013973       0.54022409
Li       1.06969999       6.01537001       2.85297002      -0.21955735      -0.06685279       0.02229385
Li       4.55211000       1.14042004       4.14824004       0.12281129      -0.09733368       0.22277170
Li       4.19135995       7.57706004       1.20962004       0.23878753       0.27714365       0.19002891
Li       9.45721998       9.05585003       8.71157002       0.08419946      -0.92766649       0.41518911
Li       7.20848000       2.53501004       6.60603999       0.15381669      -0.01664837      -0.96421006
Li       4.32947999       0.79065299       8.45328999       0.22649371       0.52689923       0.53849477
Li       2.45289003      11.21279999       0.38408399       0.25224888      -0.47735784       0.46983260
Li       7.20078001      10.38730005       6.65650999      -0.01989812       0.02612966      -0.74608797
Li      10.33430000       4.46119001       6.01168001       0.47502389       0.48457966      -0.62296666
Li       7.23231997       6.80953004      11.33017908       0.06563677      -0.13292242      -0.18964263
Li       6.30000998      10.27440005      10.74229997       0.26291662      -0.64801259       0.30001416
Li       4.76827003       4.95174999       5.15823004      -0.53594634      -0.00071045      -0.31656463
Li       1.11009002       6.15237000       9.73023997       0.53694128      -0.43175385       1.05672495
Cl       8.86153002       4.71600003       2.40696000      -0.59991915      -0.20037656      -0.23792740
Cl       0.22732498       4.08371999       3.85928997      -0.76066778       2.70886693      -1.70533927
Cl       2.20278002       8.62079000       0.53269098       1.94225024       1.03750472      -0.26135903
Cl       5.58225994       0.81748801      10.88670003      -0.42713869      -0.26373314      -0.38074341
Cl       6.56751004       8.64000998       1.27675005       0.34282180      -0.27448344       0.62432130
Cl       3.33008000       3.04004999       4.57004002       0.42498652       0.25230959       0.75230594
Cl       8.42394006      11.12170000       0.41687802       0.27695738      -0.20185952      -0.07957723
Cl       8.98362999       3.50199994       7.41357998      -0.96346288      -2.43156807      -2.41852835
Cl       0.12791500       2.71572998       6.26039000       1.01467365      -2.16372672       0.84523055
Cl       6.01017005       2.73727996       8.26785996      -0.88328542      -1.98481177      -1.30714827
Cl       9.79236995      10.33409995       6.99502003      -0.73523812      -0.53828721      -0.22240693
Cl      11.11589999       8.83247999       2.60190997       0.29416593       0.66083841       0.14464153
Cl       0.65723594       4.25899003       8.98279000      -0.03178606       1.03470053      -1.01768771
Cl       6.95172002       0.77021700       5.31101003       0.52084724      -0.02480550       0.27064853
Cl      10.37589997       2.53512996      10.79090003      -4.13051096       0.55987376       4.09895024
Cl       6.72870997       4.15493002       4.95257003       0.59345173      -0.05994538       0.15652086
Cl       4.49117999       6.49375998       3.53311996      -0.80009225       0.26774299      -0.10857178
Cl       5.25097997       7.65976003      10.48100002      -0.79336089      -0.59617077       0.54746150
Cl       8.07770997       7.01472002       8.96422005       0.47205407       0.14338454      -0.04016129
Cl       9.97849002       7.00633998       4.89374005      -0.51313749      -3.29651871       1.59631972
Cl       5.98077999       9.22939997       4.76472998       0.32474746      -0.18158551       0.38192196
Cl       5.89983999       1.56613003       2.52444995       0.85716717       0.83782209      -0.81094224
Cl       5.57011996      10.35449995       8.12364000      -0.32195264      -0.61341178       0.40454397
Cl       3.42293998      11.19330005       2.72227000      -0.44230387      -0.43067716      -0.20492121
Cl       7.08111999       4.06297996      10.69529998       0.16509411       1.68230066       1.16242451
Cl       0.23751994       0.71959303       3.06463995      -0.72520882      -0.35829236      -0.32012081
Cl       0.23300301       7.73678005       8.79866002      -2.21562834      -0.76997839       0.39941129
Cl       4.10911004       5.93038003       7.69480003       0.03990900      -0.18991635      -0.70970224
Cl       1.81533000       9.13727003       6.08205005       0.46168781       0.21234710      -0.58565283
Cl       0.99784704       0.08315902      10.25440004      -0.24613694      -0.55484445      -0.53525354
Cl       3.20702998       2.53022004       9.52002004      -0.25635931       0.15635401      -0.09664869
Cl       0.58154498       6.11652005       0.58643897      -0.51173042      -1.23322792       0.18496063
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.86383426 stress="-0.01854810360118819 0.0015803300879123651 -0.002215216964174541 0.0015803300879123651 -0.007882081854180555 0.0028669833277846822 -0.002215216964174541 0.0028669833277846822 -0.013750883232211498" free_energy=-225.86383426 pbc="T T T" config_type=melt 
Li       1.38866997       9.26195004       9.09750996       1.14870856      -0.29921539       1.68071944
Li      10.45309998       0.57432294       8.71689001       1.17011589       0.89230843       0.82050074
Li       4.62961003       4.51136996       6.07430994      -0.19130286       1.50200087      -0.22518939
Li       3.82297995      11.25509997       4.38741003      -0.03514937       0.20567342       0.00418523
Li       8.87840005       3.56607002       1.04287002      -0.05565474      -0.65259421       0.12202668
Li       4.76662995       8.28163005       0.17914898      -0.66993134      -0.12194028       0.06908507
Li       1.14312996       6.60186000       5.85183000      -3.16675531       2.67462722      -1.54879409
Li       7.85281003       4.88883998       8.60497995      -1.77769814      -0.24733329      -1.46947633
Li       3.92729997       2.91079997       1.69454006       0.78837626      -0.14120675      -0.01036437
Li       1.91996002      11.09309995       1.69120005       1.92534829       0.24069510      -0.34705816
Li       9.28831995       7.63054997       7.32128003      -0.08051339       0.27209714       0.44103193
Li       7.59642000       6.95740000      11.06400005       0.47370521       0.28795232      -0.63363988
Li      11.21579996       6.86591000      11.10679999      -0.69412036       0.07173008      -1.10862835
Li       0.42943600       1.96129001       0.30555195      -0.69186927       0.74388011       0.39471425
Li      10.48409996      10.57769996       0.07717295      -0.20729092      -0.20693982      -0.71012056
Li       7.59308997      10.81030000       9.91420005       2.39856669      -1.09736395       0.72132345
Li       6.95158004       1.79590997       4.55954998      -0.23169552       0.33706304       0.47965672
Li       6.96316997       0.44565704       1.52213001      -0.12313935      -0.57348893      -0.00928355
Li       2.07533999       1.87697000       7.40747995       0.67868395      -0.49255801      -0.77157647
Li       6.91356999      10.52070002       6.31745001      -0.23347113      -0.39557410       0.93524541
Li       5.00734006       1.97703001       9.37219996       0.48092046      -0.14337297      -0.59793348
Li       3.05574998       5.17323002       9.98094005      -0.38460195      -1.35731151       0.45527657
Li       9.30135002       5.08711998       3.88077999       0.20353113      -1.34273797       0.76143474
Li      11.41230001      10.65650004       5.75295998      -0.14803323      -0.00058213      -0.22586519
Li       3.34770002       8.10345003       4.05418995      -0.05077255      -0.02719431       0.20419127
Li       1.69064002       5.15748005       1.66404003       1.64094336      -1.36586007       0.08871444
Li       5.99815995       5.64682001       3.03499000       0.42107518      -0.18228194       0.26449036
Li      11.23619996       4.49768998       8.42950000       0.06385843       0.11204083       0.03034966
Li       8.15309002       8.59767996       2.47639994      -0.64727130       0.33421712       0.28557260
Li       4.96295002       7.74604995       7.88799001       0.39395592       0.11297753      -0.59842396
Li      11.41410002       8.36518000       2.73871998       0.23791733      -0.05679693       0.01781694
Li       0.21305803       2.51985002       3.83726995       2.42426805      -1.77675247       1.48557634
Cl       0.80110899       5.11643999      10.69159999       1.82344021      -2.33229801      -2.29245326
Cl      11.45359997      10.68420003       1.92339999      -1.54213320      -0.56701120       1.30412779
Cl      10.37589997       3.41865004       2.82396000      -2.14298308       1.38788057      -1.45619714
Cl      11.19160001       8.59169996      10.05139997      -1.13606727       0.69332062       0.11083595
Cl       1.24296000       8.97228999       4.60231002      -0.25130670      -1.12303077      -0.92183507
Cl       9.34484997       1.35736996      11.46140003      -0.24411530      -0.04799488      -0.48414914
Cl       1.10942005       0.47735405      10.55670004       0.49613778      -0.97065633      -1.16784949
Cl       3.84400006       6.96637997       9.54500002       0.21615871       1.64868921       0.50021355
Cl       4.55879001       2.54847003       5.82602998      -0.52996235      -2.75380030      -0.63103351
Cl       3.11333001       8.56601997       1.86321000       0.11710479       0.36679146      -0.53061418
Cl       8.37660003       9.18463998       0.43428401       0.52275975       1.40333319      -0.86600869
Cl      10.76390005       6.12299003       6.54122003      -1.28069000      -0.54345755       0.60776742
Cl       4.45885003       3.28979004      10.88539998      -0.42227234       0.57236630       0.34008831
Cl       0.18671105       6.37320998       1.47007002      -1.49009904       2.03267764       3.59103714
Cl       7.20589996       7.90633996       8.92830005       0.15622154      -0.07103003      -0.50801932
Cl       0.03851574       2.28192001       7.54023001      -0.98711023       0.89587174       0.51585111
Cl       6.35275002       7.23261002       1.34169003      -0.36992941      -0.69161055       0.62969521
Cl       9.37332999       5.22546002       9.75670996       0.73862561       0.28239424       1.62524287
Cl       4.66155994       0.32137106       2.07590002      -0.71557063      -0.35615708       0.10551816
Cl       4.95257003       9.08275004       5.74896995      -0.16206948       0.00089493       0.12602298
Cl       7.54672005       4.70615003       5.11611005      -0.51685241      -0.17289329      -0.50935734
Cl       1.83875004       2.43484995       1.92162004      -0.38122145       0.04888429       0.37369154
Cl       9.13509996       6.97719996       3.35913002       0.25822521       1.83547282      -0.13612991
Cl       9.36107995      10.76790005       7.60438000      -1.39766092      -0.98153145      -0.77671189
Cl       7.38165999      10.97490001       4.35603000       0.52028601       0.18821023      -0.82185391
Cl       3.92430000       5.18894996       2.46116002      -0.34483548      -0.25538773       0.26590465
Cl       2.71326997       5.91114996       6.27418004       4.62747087      -2.00019239       0.98542505
Cl       5.92414002       4.39084002       7.74617996       0.27597957       0.23024246       1.69670034
Cl       7.02365998       2.30150994       2.48380002       0.45480533       1.79847813      -0.64066369
Cl       1.12764000       9.84607999       7.31457996       0.36231262       0.74505688      -0.50928123
Cl       5.90996995      11.37059995       9.22020997      -2.16048190       0.72554276      -0.90915820
Cl       1.44471000       0.74828399       5.13361004       0.44512924       0.70478590      -0.62236418
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.48605756 stress="-0.009720766673167024 -3.7301698966346574e-05 -0.00033769846780677736 -3.7301698966346574e-05 -0.013733823296593195 0.0020787126068142416 -0.00033769846780677736 0.0020787126068142416 -0.014106931724365354" free_energy=-226.48605756 pbc="T T T" config_type=melt 
Li       8.30081999      10.80609995       5.30952002       1.37090878       0.08738267      -0.13210232
Li       7.74920997      10.93789996      11.12549995       0.26136657      -0.02584437       0.65714179
Li       4.74626997       9.14084998       9.24275998       0.11698669      -0.54416762       0.23734220
Li      10.72889995       1.51258003       9.65188999       0.50438297      -0.73535362       1.01687985
Li       1.35857004       7.75006004       3.54110002       0.04737660       0.29768945       0.77548240
Li       5.96697998      10.65569994       3.01837000       0.06820168      -0.49100640      -0.08808900
Li       8.03685999       6.82789995      10.71979994      -0.45368967       0.49964415      -0.46842641
Li       1.37573000       3.92377998       4.18374996      -0.62085818      -0.49631796      -0.15861781
Li       1.55687996       9.84172001       9.27761002      -0.18985528      -0.21057122       0.45910814
Li       6.42965000       3.58580005       1.22550001      -0.63456976      -1.54057917       0.11214724
Li       8.51150996       3.81689999       5.66065006       0.25656796      -0.25829838      -0.16910305
Li       1.62580998       2.81094999       0.21971797       0.46869778      -0.18577716      -0.30014015
Li      10.16440006       9.27921995       1.71944999       0.07184926       0.30722186      -0.16827353
Li       6.16985004       6.23638001       7.06402995      -0.70526020       3.60684615       2.03513434
Li       9.52053995       3.79035995      11.38050005      -0.32796228       0.75499696      -0.45905204
Li       4.15690004       0.84716203      10.15949999      -0.29047146       0.83166536       1.08575163
Li       4.27913999       2.72086001       6.89891004      -0.32809484       0.23899420      -0.70101025
Li       9.60452004       1.33673001       2.13372998       1.04956479       1.27740546      -0.13534527
Li      11.25600003       4.33061002       7.73650995       0.56361445      -0.37804952       0.07259639
Li       1.97735995       6.91730998       7.30152994       0.34516210      -0.03783063      -0.02016716
Li       0.73859897       6.23259003      11.33860005       0.10812481      -0.37218608      -0.20817597
Li       9.40017005       7.30437996       5.65311000       0.01280358       0.29563293       0.25112978
Li      11.37019997       0.28338795       6.72663000      -1.04352371      -0.27189126      -1.65554382
Li       2.52595005      10.81579999       1.29770996      -1.83935023      -0.32583124      -1.96262039
Li       4.83127004       8.36074998       5.49619003       0.59724598       0.92218697      -2.81975269
Li       4.95640999       7.49108998       0.78192294      -0.04239448       0.21886580       0.17820569
Li       3.72162001       4.40128995       9.92811001       1.69128431      -0.04003358       0.22486819
Li       7.96493000       6.00135998       2.52390999       0.05780635       0.79270508       1.08518045
Li       9.00482997       9.33556000       8.65310998       0.40672564       0.28161087       0.05968087
Li       7.78696001       2.15290995       9.14994001      -1.01739375      -0.19843541      -0.54154650
Li       3.69761003       2.57384999       3.03014004       0.11479863      -0.46286035      -0.11303396
Li       2.83837003      11.22110001       4.92439003      -0.05295915      -2.47573692       0.02407023
Cl       5.67979999       7.96998001       3.32707005      -0.19119246      -0.83827414      -0.17005607
Cl       2.01880997       3.79257003       2.08808002      -0.15557185       0.89736111       1.16091685
Cl       6.48254000       9.20894999       0.53885900      -0.58257584       0.02962109      -0.86401247
Cl       9.67166002       2.99349997       8.71859005       0.50808003       2.56860715      -1.34920491
Cl      10.96930005       2.46350997       0.48291801       0.64031480       0.18553726       0.29203271
Cl       9.45640005       8.40155995      11.08099997       0.62684473       0.01736180      -0.41604881
Cl       4.13854997       2.36709996       0.52506598       0.64076125      -0.01537186      -0.14473611
Cl      10.42750001       5.20076000       5.93989000      -0.99435817       0.74606681      -0.48080322
Cl       0.78625701       0.40994397       8.48824997       1.48206771      -0.18419983       1.42442185
Cl       3.49903998      10.58340000      10.79750002      -0.44833804      -2.19678445      -0.59908959
Cl       3.49018004      11.00790005       2.90006998       2.07583406       0.13644422       1.61715789
Cl       1.46465006       7.42337999       1.46987995       0.34054297       0.26953277       0.27629927
Cl       1.75216996       4.25180995       9.83081003      -2.04548447      -0.50623002      -0.06179222
Cl       8.13363995       2.25197004      11.20910000      -2.38678851      -0.52949799       1.87421123
Cl       2.38340996       8.71688004       5.53647001      -1.54252704       0.39078948      -1.28913624
Cl       1.96402000       4.47160003       6.10761998       0.80837127       1.11408705       1.41832007
Cl       9.56835998       7.63305996       3.34206005      -0.03158366      -0.37791699      -0.07807323
Cl      10.66069998       1.83440003       5.30885005      -0.51586293       0.03170317      -0.37523260
Cl       8.89948000       0.22074196       9.34363006      -0.36285745      -2.30473329      -0.83047427
Cl       8.56921002      11.11950001       2.25067996      -1.16402419      -1.42389714       0.39010652
Cl       4.36513000       7.97825000       7.30167004       0.30601840      -0.36665451       2.49132665
Cl       6.44477999       4.60384004       6.30616996       0.37103205      -3.61526747      -1.30827458
Cl       5.00081000       1.98744003       8.83630001       1.25787687       1.24545529      -1.57584537
Cl       2.81874995       1.65742995       5.20133001       0.47638288       2.24639394       0.51907495
Cl       7.76765003       7.78969997       7.70246001      -0.17145852      -0.68781758       0.19110834
Cl       7.65396003       5.13235000       0.62024197       0.52429004       1.30309812      -0.78099574
Cl       1.41986003       7.41417005       9.67029004      -0.15983362       1.13196404      -1.43075533
Cl       0.32520597      11.14439996       1.06513996       0.07953428      -0.87730361       0.16131703
Cl      10.02860004       9.63075994       6.43159996       0.33926942       0.33136840      -0.08938014
Cl       4.62530003       6.41866997       9.63969004       0.81928792      -0.49049192       1.69527979
Cl       6.95338005       3.04199995       3.35197001       0.09022314       0.17188984      -0.09179602
Cl       6.30333003      10.47920002       5.33367996      -1.20136103       0.23508224       0.25041488
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.49436047 stress="-0.011407734729566715 -0.003441437759369407 0.004867958893386944 -0.003441437759369407 -0.0075082469958857615 -0.00275812675246347 0.004867958893386944 -0.00275812675246347 -0.006402892107411783" free_energy=-228.49436047 pbc="T T T" config_type=melt 
Li      11.27179999       3.09589995      10.18860000      -0.40864819       0.03625795      -0.19400266
Li       7.42491002       8.31554001       7.90521004       0.44589288      -0.16865568      -0.07049864
Li       3.68636001      10.39750005       9.25497001      -0.68867637       0.29817068      -1.50085855
Li       9.39129005       4.25789003       6.52093995       0.61399658       0.07604788      -0.30106719
Li       2.35023004       8.53608995       0.71562902       0.28540407      -0.01676754      -0.15408575
Li       1.04091995       6.46857995       4.06229004       0.25305200       0.07143513       0.48564491
Li       1.95571997       9.09798997       6.73312004      -1.04776598       0.04922059       0.13100680
Li       4.43064997       5.71629996       1.91297002       1.40965075      -0.80298296      -0.79545601
Li       6.74751998       4.83456006       4.19926996       0.01423305      -0.37803295      -0.06291464
Li      11.23879994      10.55420002       3.69397998       0.70634036      -1.89028640      -0.32630225
Li       9.35990005       8.82839997       1.15784999      -0.51318593       0.58713718       0.22037856
Li       6.67161005       7.67117995      11.25020002      -0.73264991      -0.11047485      -0.43871655
Li       6.78122004       2.88659005       0.88677502       0.59285729      -0.61802316      -0.51095545
Li       4.32415999       7.41612001       6.86046997       0.77965985       0.14482575      -0.22444548
Li       7.97878997       0.32637900       4.33088998      -0.16758582       0.19698668      -0.39083288
Li      11.03839997       9.25694004       9.55718002      -1.17054811       0.09845549      -0.57059045
Li       5.92828001       1.87581004       7.94599995      -1.11488375      -0.18188470      -0.97234376
Li       8.61948995       0.92124295      10.63170005       0.32333297       0.00684690       0.06989463
Li       7.44232999       4.54381995       8.95732004       0.70683912       1.30717042      -0.57876967
Li       0.34030695       5.98763998       8.28493004       0.46746843       0.06661140      -2.18420928
Li       4.44917005       0.25716501       5.20102001       0.56173369      -0.15513888       0.64237911
Li       2.31155999       3.04482005       6.68214997      -2.04736880      -0.77860964      -1.46507698
Li       9.54056002       8.15245994       5.44023001       0.08679314      -0.08046361       0.42696623
Li      10.06440001       2.46842998       2.93137996       0.86908332      -0.70936621      -0.42288074
Li       6.41202998       8.74419002       3.71902003      -0.08690286       0.25325618       0.32934730
Li       5.51105003      11.00620002       1.23848996       0.44685091      -0.26138822      -0.18828631
Li       9.75866004       5.61736002       2.58504005       0.09166442      -0.27674037       0.28024468
Li       3.73088005       5.01550996       9.07904995       0.15206548       0.47212377       0.11146381
Li      10.67910003       0.44776899       7.18755001       0.07777105       0.22429080      -0.12302608
Li       2.31248000       1.90689005       2.76022995       0.17391189      -0.25005671       1.29742545
Li       1.77435999       4.78951999       0.81090797      -1.77201041      -0.85356718       1.12084304
Li       1.10583001       0.20298001       0.03281994       0.63847523       0.58955717      -1.25550244
Cl       1.49984001       9.57705002      10.15640005       0.56611700      -0.68482702       0.29739203
Cl       8.19936994       8.81366998      10.31329996       1.30877946       0.66325192      -0.84763316
Cl       9.16076997       2.25516995       0.91104502       0.03563654       0.68204703      -0.59645324
Cl       9.32238995       3.12525000       8.48748003       0.66665567       0.20536200      -0.65521034
Cl       0.11616996      10.78030005       1.57580004      -0.35655688      -1.05908671       0.49282701
Cl       5.87943002       6.88258995       8.69806005      -0.34492099      -0.46649203       0.38690134
Cl       7.29113998       7.84930001       1.82131997       0.21545003      -0.76209858       0.60752246
Cl      11.15150002       5.60804999      10.09050004      -0.33963089      -0.50600153       2.07518447
Cl       3.87456004       3.50044997       7.64936996       2.73652036       1.69301531       0.44949566
Cl       5.05560995      10.92900001       3.31878997      -0.37720569      -0.93028278      -0.21564492
Cl       7.82037999      10.92930003       1.67767002       0.23520823       0.42121634      -0.35195060
Cl       6.74367005       2.78861998       9.66104995      -1.29655872      -1.24268461       2.18140458
Cl      10.54889997       7.67625003       3.50756998      -0.02246407       0.44756924      -0.29562872
Cl       6.34150998       4.67002998       1.86329999      -0.11357966       0.23081858       0.21749325
Cl       2.88649994       1.60730995       4.88572995      -1.13908959       0.59191034      -0.25637297
Cl       3.83663999       9.95316003       6.81499002       1.14185683      -0.15112265      -0.12388329
Cl       5.71141996       6.62541004       5.03932001       0.01346462       0.38861075      -0.02992015
Cl       1.95408001       2.35562994       0.82412101      -0.35207315       0.06770562      -1.32846437
Cl       3.18623997       5.41957000      11.16409995       2.22411842       0.97931994      -1.70244924
Cl       6.39061998       1.76029997       5.22392003       0.12542298       0.16233814       0.88020022
Cl       3.33153000       1.01224996       8.84562001      -0.07261392      -0.51850750       0.48533241
Cl       4.36490003       9.99260002      11.08304910       1.12567419      -0.81668146       1.97910289
Cl       0.38757097       4.21314999       6.21242998      -0.21452925       0.20697980       0.21504205
Cl      10.38689995       0.67874201       4.37049001      -0.90312284       2.18410628       1.13096759
Cl       2.25166004       6.93871999       7.11435000      -0.70173588      -0.39395296       0.16872641
Cl       9.13841004       6.64568003       7.19260002      -0.02999430      -0.07221266      -0.09953965
Cl       2.85456997       6.64944995       2.50749004      -0.92909057       2.60154679       1.00322215
Cl      11.06639998       9.73247000       6.60800004       0.73649362      -0.33414942       0.38715929
Cl       8.86061999       3.71222996       3.99326005      -0.72055831       1.68051863       0.97677934
Cl       8.11266995       9.81894002       5.33831004      -0.98688477      -0.49554304       0.26836309
Cl      11.05360000       0.62768298       9.53024996      -0.46045534      -0.03169386       0.18865992
Cl       0.56706101       4.99554996       2.61398999      -1.71718351      -1.68693482      -0.27339831
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.32841546 stress="-0.009050773579981077 0.0019498620310912478 0.00038753108236592245 0.0019498620310912478 -0.007643138079174748 -0.002632839061085368 0.00038753108236592245 -0.002632839061085368 -0.004848776220514927" free_energy=-228.32841546 pbc="T T T" config_type=melt 
Li       6.21541998       0.57213395       7.10541004       0.24367605       0.35763494       0.53463714
Li       3.34695003       7.79738000       7.07844996       0.57164300      -2.19053197      -2.25989836
Li      10.14289994       0.33496402       7.31319003      -0.02675245      -0.04357339      -0.01738095
Li       0.01661988       4.34586004       2.35692999       0.11928039       1.19771622       0.69450263
Li       1.70911998       7.36472002      10.01380000      -2.06712461       1.36115468      -0.75798083
Li       3.72690000       1.90946997       5.01590995      -0.20940670       0.39989025      -0.27034886
Li       0.11225605       8.17201995       5.46882995      -0.88153571      -0.28835280       0.69054565
Li       3.47612999      10.39419994       4.99887002      -0.83162374      -0.56674195      -0.53560608
Li       5.79471002       3.91044003       2.90930996      -0.02205991       0.18161962      -0.36725768
Li      11.11189999      10.98140003      10.90160004       0.40331250      -0.17385047      -0.54017242
Li       8.55630996       5.72045003       2.34088998      -0.49071785       0.78513816      -0.13101247
Li       8.76175995       6.11226003       8.08459003      -0.36367186      -0.23595356      -0.18882618
Li       6.92315000       1.59199998      10.41330001       0.37983877       0.06098121      -0.21941676
Li       5.79512996       5.18778003       6.27253996      -0.58642221       0.04067197      -0.06416047
Li       0.81474002       1.28223995       4.03346998       0.28545540       0.39070024       0.26629223
Li       8.11621000       9.34558001       8.87213001       0.06294458      -0.34159953      -0.31339383
Li       9.89416003       2.79379003       9.66436003       0.65719903       0.12793435       0.45169305
Li       8.07888999       9.13148000       1.55492003       0.56757845       0.09032432      -1.33183732
Li       1.20144004       4.80476004       8.09098996       0.77872525      -0.00070904      -0.90560510
Li       2.79670001       5.06060001       1.25538006      -0.27818530       1.26875721       0.98455086
Li       2.13825997      11.10240000       8.08455002       0.51157220      -0.10961316       0.26012417
Li       5.64748001       6.86692998      10.25670001       0.23368514       0.21125517       0.28547451
Li       0.05277524       8.56967995       2.28564006       0.36474728      -0.10776618       0.01908182
Li       9.31717004       1.67671000       2.18405003      -1.23882796      -0.13273596      -0.54768224
Li       7.41005002       8.77919001       4.86425999       0.82908208      -0.42747599       1.24903400
Li       4.16383994      10.34340000      10.87779996      -0.18620819      -0.04933836      -0.24973711
Li       4.68429006       8.11133998       2.82784995       0.36222270      -0.70378790      -0.11995518
Li       4.03843998       3.36502003       9.22899001       0.01119179       0.27154064      -0.07866591
Li       6.32813999       0.32638301       3.05680996      -0.73871733       0.16365199      -0.12576387
Li       8.92199000       3.61143005       6.01243000       0.11288424      -0.46326190      -0.31905714
Li       2.39881004       5.92378005       4.92770997      -0.78470160      -0.91019596      -0.27724115
Li       2.31977999       1.72753999       0.72395897      -0.13933508      -0.41353871       0.24591983
Cl       2.29370002       0.36169299       6.00068003      -0.53186443       0.43791708       0.16792085
Cl       6.73761003       2.19059005       1.04098002       0.11991465      -0.19154358       1.21974495
Cl       6.09662000       9.35323001       0.05191989      -0.06934750       0.07964306      -0.84526137
Cl      11.32670002       4.33070999       9.57089003       0.02472395       0.67924985       0.68442266
Cl       0.18831995      10.35420004       8.35283997      -1.63243278      -0.21175952       0.11713541
Cl       8.80192998       7.47257001       6.28945000       0.35833472      -0.34582092      -0.55160080
Cl       3.44872005       1.12131000       2.63551005       0.41218980      -1.13094056      -0.16806595
Cl       7.85264999      10.54080000       6.67550997       0.57996594       0.16970030       0.70433459
Cl       3.29817995       3.60992995      11.45190004       0.33997928      -1.55122451      -1.05211193
Cl       5.08233995       1.23342000       9.09809005      -0.03223184      -0.28271023      -0.05685981
Cl       4.36646995       6.59767003       4.84456000       1.05635284       1.28695487      -0.06579269
Cl       6.02516005       6.15500999       1.80835995       0.01894921      -0.34093307       0.04946764
Cl      11.22500004       1.99751002       6.29267994      -0.76131162       0.55327178      -0.59923354
Cl      10.44570001      10.27770004       1.36060002      -0.28921829       0.55466409       0.31657588
Cl       9.44223995       7.90051003       2.63768998      -0.30189806      -1.87523505       0.93365713
Cl       3.18973004       8.93246995       8.54667996       0.27598226       2.80485545       1.87629313
Cl       1.07791999       6.35819005       2.34382999       0.21816510      -0.16910160      -0.42962280
Cl       9.09900995       4.02560996       3.52875998       0.43267721       0.04121484       0.13110125
Cl       6.16929001       5.92820996       8.28314001       0.34394298      -0.07919820       0.01658486
Cl       6.65958999       9.42366002       3.04018997      -1.43204710       0.98135996       0.65385424
Cl       2.53713999       3.67175005       3.79940997      -0.19274100       0.91286425       0.38713438
Cl       1.89548000      10.72339996      11.15630000       0.77674544       0.48107737       0.26584451
Cl       5.18415995       0.09043437       5.30133005       1.21338175       0.25251269      -0.77440083
Cl       1.36253003       6.82023000       6.79386995      -0.99147264      -0.05613396      -0.01127184
Cl      11.19349998       2.38208996       2.05606005       2.17612693      -1.41010018      -0.20108035
Cl       8.49260995       2.76484994       8.21432005      -1.41448173      -0.02596941      -1.08068099
Cl       3.39141997       6.60471002      10.39860005       1.93547077      -1.34512361       1.39744907
Cl       8.66039003       7.34806999       9.76896998       0.27731291       0.82298842       1.13819243
Cl       1.45457995       9.07545005       4.14926001       0.83582349       0.64007858      -0.47868939
Cl       3.37642996       4.49562996       7.32530995       0.02000387      -0.87533108       0.19712841
Cl       9.75426005       1.20875999      11.03570002      -0.98330905      -0.08272744      -0.32978099
Cl       6.51815998       3.47542998       5.04178999      -0.43343540      -0.47444379       0.32675591
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.19691125 stress="-0.011690532034256981 0.0017327653605466967 -0.003448166056275036 0.0017327653605466967 -0.011103046186704163 0.0004930218989249652 -0.003448166056275036 0.0004930218989249652 -0.012247616932646232" free_energy=-226.19691125 pbc="T T T" config_type=melt 
Li       0.09811991       0.26818104       8.00496006      -0.38630904       0.41074827      -0.06770835
Li       1.85807996       3.59192003       2.34656995       1.57098705      -2.50446703      -0.65320571
Li       9.19316000       6.70697002       6.30747999       0.13358606       0.11262922       0.33486017
Li       5.95321000      10.35820004       5.02393999      -0.21546712       0.49425152       1.19601568
Li       0.41597601       6.84963003       8.79463996       0.04592255       0.16421280       0.39242832
Li       4.27025001       2.32686996       5.09515999       0.47331867       0.92192960       0.10279647
Li       2.18520998       9.88393000      11.35030004      -2.80699978      -0.24007654      -0.51550707
Li       1.49360997      11.38469999       4.13418002      -0.31358789       0.17238222      -0.12351887
Li       3.74237001       1.05141997       1.18941998       0.37730756      -0.46634710       0.39929132
Li       7.65629003       8.06165000       2.48617003       0.24909368       1.06701069       0.24740281
Li       7.95873000       6.46250995      10.28840000       1.92497928      -0.31065135       1.22111494
Li       6.93726998       8.81681004       8.17222000       0.51006766      -0.19991333       0.57085236
Li       6.90908998       1.91248003       3.17445996      -0.10265683       0.15007631      -0.58071436
Li       4.90992004       4.84636998       8.33933000       0.14902504       0.63450218       2.41827537
Li       1.72472000       5.75022999       0.16098394       0.45154489       0.29411891       0.34124242
Li      11.20819994       2.69343000       4.81901002       0.29341637       0.02324917       0.26146324
Li      10.97420000       0.50786096       1.01180996       0.54352568      -0.02453727       0.10676537
Li      10.13600005       4.46361998       0.39232394       0.07165629       1.90117120      -1.76027368
Li      10.38010003       3.92905000       8.74840005       0.42956397      -0.16767065       0.41638616
Li       4.46809001       7.27824003      11.07809997       0.33448756       0.06665792      -0.60347798
Li       2.41606997       5.09752003       5.80166001      -0.12562476      -0.26239647      -0.20127471
Li       5.29110999       6.59438999       4.96216002      -0.19435629       0.05479432      -0.07051109
Li       9.52721995       9.11529003      10.07200002       0.57610774       0.39642207       0.33387712
Li       7.88931000       2.50345003       7.10143996       0.38504496      -0.44778514       0.13361825
Li       9.20050001      10.69649994       4.87459000      -0.22053883      -0.18752782      -0.43017093
Li       6.33753004      10.55549996       0.55079400      -0.24161845      -0.37319721       0.12552135
Li       0.77131699       7.27489005       3.56405002       0.61028582      -0.22530163      -0.23076539
Li       8.47121003       1.93557998      11.02059995      -0.29368713      -2.08615647       0.99010249
Li       3.88306998       8.82989996       2.43858995       0.04613915       1.20840159       0.43610845
Li       5.29370000       4.85483005       1.15367997      -0.10092159      -0.24162825       0.29529008
Li       3.01749000       8.39998005       7.13601004       0.04230087      -0.10027419      -0.06268570
Li       1.87865995       2.59854004       9.90794996      -0.07179522       0.32655283      -0.30517791
Cl       7.61273000       8.58363003       4.63348002       1.92688071      -1.17958341       1.14445932
Cl       6.20138002       1.30240000       0.99840294       0.47982663       0.06917865      -0.62385149
Cl      10.07139998      10.85049996       2.73313000      -1.58527651      -0.43913293      -0.65486350
Cl       5.41487997       8.88496003       6.77175994      -1.47197235      -0.02061245      -0.37316511
Cl       1.36650997       2.27229002       7.28938996       0.13654392      -0.09834091       1.29017072
Cl       9.62889998       3.97727999       6.73793000      -0.31748508       0.61447725      -1.01067394
Cl      10.92259996       0.49228994       5.34134005       0.53440602       0.02817566       0.95615042
Cl       9.20428998       0.63154495       8.58579998      -0.65690738       0.42445218      -0.15823572
Cl       9.11072999       8.18968996       8.14843999       1.06338109      -0.62115906      -2.02422749
Cl       6.71450996       6.49105005       1.62325998      -0.01485622      -0.56186729      -0.56428566
Cl       7.37558002       8.59023999      10.34990002      -0.38994435       2.87148606       2.61734158
Cl       6.31314999       6.38365004       9.26430996      -2.75003740      -1.59690823      -2.09124764
Cl       1.48573998      10.33750002       2.11702996       0.46793047      -0.64624795       0.15762558
Cl       0.01761991      10.73789998      10.28089995       0.07629792       0.00891759       0.40549324
Cl       1.81747004       2.05400004       0.71584203       0.02459789      -0.33089847      -0.58174522
Cl       3.57759999       0.57046602       4.30388999       0.80353548      -2.46904156      -0.07134591
Cl       3.33009994       7.12033998       1.44471000      -0.52001229      -0.77908202      -0.25791063
Cl      10.14389997       3.07311997       1.64153003      -0.55840550      -3.18064531       2.10829283
Cl       6.79458005       1.53704997       5.30495999       0.30448865      -0.67036957       0.77585190
Cl       4.74423001       4.31256995       6.47467000      -0.34257828      -0.00840109      -1.80279841
Cl       4.04615005      10.03520003       0.25309405       3.14478105       0.80357841      -0.02277071
Cl       2.34625996       8.53985998       9.34984003      -0.03090760      -0.75715704      -0.38294037
Cl       5.82387997      10.02839999       3.04580001      -0.48344637      -0.06439537      -2.48861863
Cl      10.30610005       6.37906994      10.80889999      -1.08019592       2.10524284       0.35478432
Cl       8.62568995       3.64644999      10.18029998      -0.33299985       2.16815597      -1.19690408
Cl       0.84015197       4.73297003       9.92328997       0.53230899      -1.40024038      -1.31317532
Cl       3.84110005       4.72730002      10.89089997       0.36851800      -0.33627636      -0.52878029
Cl       0.94628805       5.17649998       2.20978997      -2.24942687       3.86102568       0.15254649
Cl       2.16211003       2.90920002       4.21977004      -1.17972454       1.40250851       1.31469409
Cl       5.47874999       3.67436998       3.11918998      -0.31424515       0.38272109       0.11056310
Cl       2.91549001       7.27596999       4.67566995       1.19985097       0.20777116      -0.23102660
Cl       0.78510497       6.82923003       6.56056004      -0.92972406      -0.34851201       0.27217250
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.54199157 stress="-0.025133642594218537 0.004145868010908376 0.0037567191730675893 0.004145868010908376 -0.011345299241056058 -0.001417871151350157 0.0037567191730675893 -0.001417871151350157 -0.009351264551918745" free_energy=-226.54199157 pbc="T T T" config_type=melt 
Li       3.45871999       4.70348997       5.32112004      -0.45268053      -0.04494493      -0.17627015
Li       4.64048997       8.00866004       6.99178000       0.05781937       0.63937224       0.01276387
Li       0.95604002       0.67342695       9.85195004       0.69388441      -0.57178265       0.07468246
Li       2.92394996       9.73168997       2.08122999      -2.97781566      -4.01090279      -0.37784420
Li       6.39803003       6.68661003       9.94416997      -0.67559473       0.17306518       1.19820799
Li       1.96573998       7.62834000       9.87553000       1.10934644      -0.42904880      -0.87263960
Li       8.23065000       8.93412998       5.44243001       3.51988789      -0.72497590       1.64352172
Li      10.34899996       6.27699004       3.40275000       0.71754872       0.87048640       0.58373810
Li       7.64579001       4.46224999       1.07583006       0.42609832      -0.29799215       0.24984835
Li       4.97334996       6.25388998       2.27976003       1.16666663       0.96183014       0.26053076
Li       2.14528998       5.13116001       2.20723000       0.30015592      -0.16898292      -0.95122884
Li       3.13791000       2.31538000       0.93661999       0.05546844       0.74512617       1.30657836
Li      10.64340003       9.73633003       2.93911996       0.29178942       0.49256797      -0.07152766
Li       1.80050004       4.76279997       8.64787998      -0.33757430       0.11184974      -0.37881762
Li      10.20740005       8.23605999      11.32260005       0.12629655      -0.20598424       0.21016420
Li      11.04099995       4.61037996      11.45895115      -0.68560894      -0.58836591       0.02048924
Li      11.09999995       4.26432000       5.32953998      -0.20123059      -0.16373131       0.69447969
Li       7.24198997       5.10935002       6.06198997       1.36345516       0.03539179       0.62820566
Li       9.33491995       3.01226997       8.81250005      -0.15008524       0.40736557      -0.64075518
Li       5.84070001       3.02146994       3.25948995      -0.69410475       0.09340340       0.82895052
Li       8.09981001       0.95884797       5.46863999       0.06814356      -0.04401718       0.20315389
Li       3.30334999       1.79103994       6.12905004       0.42729042      -0.59951232      -0.30087545
Li       2.12889996       7.38892995       4.82992000       1.95008345      -0.74028002       0.90956444
Li       8.55145002       1.29416005       0.87396002       1.15943203      -0.95937564      -0.76462945
Li       9.94666002       6.55380999       7.55849995      -0.08576230      -0.61518439      -0.06361361
Li       7.74972999      10.84909994       9.31108996       1.71261750      -1.35569688      -0.46265154
Li       4.92655999      10.73429997       3.93190002       0.22742418      -0.81737180       1.48410839
Li       0.95748704      10.09390001       5.70547000       0.57443120       0.45735862      -0.15098026
Li       0.43870796       1.40008002       2.98415004       0.31019266       0.08500944       0.14428730
Li       5.32773000       2.55137003       8.93349005      -0.05681097      -0.26229903      -0.01872428
Li       7.23925001       8.89169999       2.00480005      -1.13987517       0.20062542      -1.15514524
Li       3.93345996      10.40410004      10.24509999      -0.19225510       0.68081729       0.15387911
Cl       3.23130995       9.89329998       6.26923996       0.36682396       0.74911331      -0.75428961
Cl       1.10473001       3.48905001       1.19380999      -0.06968708      -1.25945533       0.13053505
Cl       2.58408003       7.36768996       7.47934998      -0.80189724      -1.81071942       0.18729774
Cl       8.58206997      10.73679998       7.06453003       0.32983257      -0.06149096      -0.03964573
Cl       1.38695995       4.72330999       4.08095996      -0.45831390      -0.22593304       1.64114213
Cl       7.29809994       2.42006998       1.95439997      -0.27315338       0.40601208       0.46002525
Cl       9.42752004       6.25370002       5.26636996      -0.65773252      -0.61902567       1.21461075
Cl       8.07290999       3.19071000       6.86438995      -0.44396966      -0.58591573      -0.33834741
Cl       7.77289001       7.00932000       8.47479996       1.04490719       0.08130437      -1.10794556
Cl      11.16820004       4.29364999       7.61910002       0.00446957       0.69848996       0.09486849
Cl       4.50616999       4.34005005       2.10618005      -1.04477739      -2.75564482      -0.66010093
Cl       3.05889004       1.45844994      10.58660003       0.14057090      -0.75171301      -1.55629675
Cl       8.39613000       3.83254999      10.64359997      -0.07697777       0.19697495      -0.47966608
Cl       5.48551002       5.39515005       5.11634002      -0.54214592       0.55619008      -0.58675889
Cl       3.26241002       3.68444995       7.28248995       0.82124543      -0.12323346       0.80741810
Cl       6.26183002       0.58465501       9.63384005      -1.67382808       1.40117452       0.37400593
Cl       8.73985996       8.67719002       3.27125001       2.70559214      -0.75016378      -0.06454878
Cl       1.40187005       9.49198999      10.36800005      -0.68164277       1.61575738       0.51928031
Cl       1.26697996       1.34604004       5.91580996      -1.15556018      -0.45992662      -0.46795326
Cl       9.84322997       0.60832095       3.06702005      -0.38897007       0.11147095       0.25278979
Cl       1.02322002       5.85178001      10.48580000       0.12032841       0.17079772      -0.14808204
Cl       8.82756996       9.93678996       0.25997800      -0.26947541       0.20312220      -0.52951106
Cl      10.67590001       1.76552997       9.82976999      -0.05971398      -0.59608718       0.61331678
Cl       6.65898995       6.30765997       0.96046099       0.04443586       1.62748220      -0.62898557
Cl       4.42351001      10.63580002       1.98267995       4.91394796       2.16789146      -2.21920113
Cl       3.13789005       6.92762004       2.76575001      -0.75707528       2.45164646       0.22768342
Cl       4.95995005       1.28824998       4.45106005       0.11329242       1.36018522       0.77715424
Cl       1.48051994      10.83170003       2.71264998      -2.18081842       1.37047448       0.60719964
Cl       4.78196996       8.49323005       9.83719999       0.41512265      -0.80864281      -0.12509168
Cl       0.46611298       8.15319996       4.25244003      -2.20694268       1.13691738      -0.24467479
Cl       9.98821998       5.97321998       1.46861005      -0.16996161       0.01670356      -1.53007170
Cl       6.60708003       9.33988995       4.77523000      -5.71655973       1.13242302      -0.64760764
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.01617069 stress="-0.020085141720475166 0.005535762115647019 0.005436483379498332 0.005535762115647019 -0.01384985884946949 -0.0010451999537752837 0.005436483379498332 -0.0010451999537752837 -0.011780351420042393" free_energy=-225.01617069 pbc="T T T" config_type=melt 
Li       2.13032004       6.72679004       2.31119004      -1.22184762      -0.57796102      -0.03206968
Li       2.54893995       0.38461995       6.30392996      -0.68723565       1.06213070      -0.01592779
Li       5.26898003      10.01389997       1.30363000      -0.04596182      -0.26333616      -2.18737207
Li      10.98220000       6.37264995       3.62811001       0.09279002      -1.27906657       0.05485732
Li       5.72543000       6.82542997       8.36421001       0.84783529      -0.54776160      -0.24074643
Li       1.74494999       3.54818001       9.25330001      -4.16886024      -0.71487052      -0.46642121
Li       0.27652405       9.22521000       5.22520999      -0.59967979       1.59463814      -0.70488604
Li       8.27930005       5.52059003       1.01645001       0.39629036      -0.32302396      -0.34268175
Li       8.68736995       3.07580994       5.28007998      -0.32702722       0.46899225      -0.40817907
Li       3.90204004      10.01670000       9.03736995       0.38273748       0.00025074      -0.95047330
Li      10.78119999       6.21611999      10.42570000      -0.08688715       0.44045771       0.69555961
Li       2.65232001       2.84621997       2.80232003      -0.37144160       0.04613040      -0.37880505
Li       9.48271000       9.64068996       9.21725998      -1.10339988       0.20945523      -0.25917452
Li       1.17559004       9.77810002      10.90869998      -0.64435945       0.04974717      -0.63625836
Li       1.44966005       7.28585999       7.98876997       0.52723891       0.39187541       0.98339568
Li       6.03691002       1.22523003       3.37831997      -0.96838247      -2.24235565      -1.49287910
Li       4.95807999       5.77203998       1.09207998      -1.28372228       0.24544279      -0.63545620
Li       5.98688999       4.79685003       4.85366001      -0.11910568       0.46518505      -0.11107846
Li      10.98110001       3.54819996       1.11299003      -0.15216010       0.08467864       0.44615748
Li       9.21992004       7.41101003       6.17641999       0.02941510      -0.22199806      -0.16145209
Li       7.56686004       0.29996805       7.32019001      -0.00424999      -0.07443558       0.01327435
Li      10.76030004       0.81486796       4.40560006       0.54256643       0.04609613      -0.27119693
Li       2.34105999      10.39140002       2.88591996       0.53956901      -0.07908108      -1.22635326
Li       9.54053996       9.73142996       1.91112002      -0.95360493       0.22371527       0.82456297
Li      10.76009998       0.83979600       8.13661000       0.52088221       0.80177012      -1.01661473
Li       9.02911005       0.94910998       0.11926703      -0.84777391       0.37662389       1.52649691
Li       5.10733002       9.57688000       5.26187000       0.30601841      -0.54446019      -0.40478980
Li       0.73332001       4.40575998       6.31701001      -0.49443315       0.89504752      -0.24406732
Li       2.29647999       1.15194003      11.04150002       0.07880682       0.14922114      -0.00551189
Li       8.61195001       3.71869994       9.30333999       0.14991643       0.23377108      -0.76842262
Li       5.39401005       2.70893005      11.12590005      -0.30838757      -0.00786156      -0.40628284
Li       4.22542995       3.00179999       7.18807003       0.18677897       0.16888444       0.22621892
Cl       9.62329005       0.43403501       6.10018998      -0.59750567      -1.79589823       0.13972837
Cl       1.32498004      11.24940004       4.42757995      -0.55836343       0.08912765       0.96322494
Cl       9.84119999       1.28348004       2.57464997      -0.20618715       0.01342541      -0.51935456
Cl       6.42102004       5.03909004       6.90640000      -0.20765467       0.24585469       0.62210825
Cl       3.61312000       1.08131995       1.45618002       0.40006765       0.07598356      -0.28098824
Cl       0.83055797       7.53746999       6.03889002       0.55800864      -1.46151095      -0.49814835
Cl       1.04970995       4.61317002       3.35235005       0.37552925       0.34800823       0.56728358
Cl       6.95101004      11.28499996       0.84588102       0.75475909       0.14780820      -0.11318384
Cl      11.29219998       8.77014996       9.23431998       1.17182663      -0.53869287       0.15943313
Cl       9.07781994       3.13127000      11.39159999      -0.09950145       0.09406548       0.06690118
Cl       8.79814998       5.94546003       9.64019000      -1.34956100       0.58319854       0.18277186
Cl       4.16391996       6.74044996       2.54064004       0.04605977       1.17686012       1.87972707
Cl       4.13836001      10.60120002       6.74963996       0.59801530      -0.56693988       0.32461990
Cl       3.56575005       2.58454995       4.75347997      -0.19224919      -0.18948036       0.81600438
Cl       4.69715000      10.26000000       3.14770004      -0.33476383      -0.28654378       2.60644003
Cl      11.45134276       9.54468005       1.32091997       1.85754461       0.08314306      -0.42913323
Cl      10.20509997       8.23547004       3.90218002      -0.94905608       2.60947196      -0.03866427
Cl       7.93513995       9.09629005       7.37251997      -0.20910432       0.10335985       0.13967377
Cl      10.07020001       0.26146698      10.02020005       0.24109519      -0.76270731      -0.53705002
Cl       6.32860006       4.82102005       0.23245995       1.25717368      -1.49936862      -1.07254117
Cl       0.15483003       5.70973999       8.58569004       0.93726424      -1.74244867      -0.64892325
Cl       3.44731005       4.05179002       9.52062994       4.86462948       0.56235155       0.48789964
Cl       1.19777996       2.60337006       7.23957995       1.07707718      -1.42375266       0.25176874
Cl      10.40319998       5.96544995       1.44062998       0.24952422       0.22568964      -0.98620614
Cl       6.51137003       2.83382994       4.25904001       1.84148815       1.36439144       0.66007726
Cl       9.71654004       3.01088004       7.15182995      -0.61001213       1.40644794       1.37458139
Cl       9.00922996       5.63355996       4.46979005      -0.73771564      -1.10646371       0.60697713
Cl       2.18159002      11.32099998       9.14023997      -1.19149915       1.50520916      -0.26930485
Cl       3.24544002       9.27373005      10.85589998       1.28232011      -1.34375732       2.26415734
Cl       3.67488003       6.99299005       8.15283998      -0.28754798       0.73928256      -0.15119210
Cl       1.58973005       3.18654996       0.44028201      -0.53919914       0.04545523      -0.34131461
Cl       5.82407004       1.46449002       8.26326003       0.34521273       0.22052818       0.36920394
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.58814242 stress="-0.01577812788041901 -0.0017970415075476303 0.006948926488791766 -0.0017970415075476303 -0.0106939904175139 -0.0020808473527315127 0.006948926488791766 -0.0020808473527315127 -0.017503387738860707" free_energy=-224.58814242 pbc="T T T" config_type=melt 
Li      10.54739999       5.42832997       3.83455005      -0.32637208      -0.03569727      -0.09304096
Li       4.01824003       6.67195994       8.02625003      -0.08777138      -0.82750185      -0.36742670
Li       9.07621999       3.74168995       1.35392999      -0.13623998       0.36979132      -1.46524087
Li       6.75169997       2.65852001       3.33570999       0.66359550       0.64528951       0.12311748
Li       6.30851005       8.80020002       0.31427696      -0.87963101       0.36407281       2.65931352
Li       8.22445998       8.10007999       8.47473003       0.77833459       0.32741472      -0.59154569
Li       1.65214996       9.10764003       2.96540996       0.57791402      -0.36498342      -0.41492270
Li       1.97931002       3.12441998       6.03039006       3.71399569       3.34798828      -0.68078590
Li       3.58053003       2.28230005      10.03370004      -0.37111255       0.82638414      -0.12254388
Li       1.01749005       0.83423594       8.20223005       0.91746634      -0.15113683      -0.67054687
Li       1.56680000       0.93489198       2.28776003       3.85095837       0.35964114      -0.80038297
Li      10.45559999       1.50766002       4.53471995      -0.48736611       0.15895006       0.86479916
Li       8.59064995       0.58724101       8.25763004       0.01087972       0.77561607       0.22404148
Li       2.23466001       8.10982004      10.30299999      -0.50320392       0.24697456      -0.02624661
Li      10.63769999       6.91189002       0.52123198       0.19811111      -0.53366885      -0.40993940
Li       7.02027000      11.29500002       4.83704998      -0.16451980      -0.04024575       0.31087800
Li       0.85720795       6.82405001       6.82717002      -0.00026815      -0.00166374      -0.44056078
Li       5.08727005       9.46350997       8.79783998      -0.12767211       0.03392444       0.06760734
Li       6.48046004       7.87871001       3.22582005      -0.83933592       2.19827457      -0.21094993
Li       9.60852004       8.43125002       3.53100996       0.03676449       1.22663598       1.12690500
Li       9.27612000       0.17055295       1.78203005      -0.22687950       0.12445291       0.53563118
Li       5.17313005       2.80091004       6.83961002       0.46659672       0.10849307      -0.00656503
Li      10.72250001       9.85177005       6.33007001       1.04449894      -0.10834400      -1.38303176
Li       6.65540002       5.26534001       6.13284002       0.19913661      -0.27009112      -0.52061754
Li       3.49327001       9.94701002       5.33811996      -0.47808429       0.66094900       0.28703769
Li      10.05869997       3.99027005       8.87348004      -0.46313254      -0.55317714       0.44291165
Li       6.88863002       5.66246004      10.40010004      -0.46519902      -0.29859164      -0.51613218
Li       6.56082005       2.00525002      11.03780004      -0.03516977       1.10303283      -1.69791140
Li       2.48038000       5.05322996      11.22159997       0.44891465      -0.56353918      -0.13085029
Li      11.34579997      10.54840001      10.64670003       0.48861050       2.92479535      -1.12939415
Li       4.62697003       0.19914498       1.38215000      -0.41783892      -0.58406247       2.53968555
Li       2.28613004       5.87848995       3.40868999       1.59383077       0.33294038      -1.87566277
Cl      10.98170005       1.34701003       9.50063005      -1.02624415      -0.07258922       1.07517607
Cl       5.28228995      10.07160003       6.60739002       0.51963746       0.14749966       0.58444096
Cl       0.58344301       2.05136004       6.22499999      -4.83608599      -3.69080130      -0.69115776
Cl       1.47306002       6.45932002       8.85248998       0.00378056      -0.40150136       0.14146313
Cl       9.40529000       6.89625996       2.24049005       0.20655528      -0.75502198      -0.30000778
Cl       4.44308997       4.81208995       6.06407005      -0.45815522       0.19469651       0.26531029
Cl       1.87997994       9.81477998       8.79475999       0.30590756       0.93730821      -0.42629153
Cl       5.21636999       3.93873995      10.22890004      -0.48700001       0.68191866       0.34440914
Cl       1.14093994       5.41483995       4.88940001      -0.88505899      -1.26029957       1.69551993
Cl       9.28914996      10.04290001       7.74000002      -0.84257557      -0.09322118       1.09663186
Cl       7.29328999       2.66574996       5.90041000       0.26454597       0.47131416       0.13873300
Cl       4.83348998       0.86104505      11.05109998      -0.38078708      -1.02517348      -2.10884875
Cl       9.10681999       3.03869995       3.21885000       0.72252905       1.35207101       2.58475318
Cl       4.37216001       7.28507996      10.12059997      -0.29076795       0.30694299       0.64988331
Cl       1.17665003       5.95773002       1.25971000      -0.21181405       0.90411544       0.34817118
Cl      11.27320000       1.12654998       2.68453005      -2.96735604      -0.30217544      -0.87051071
Cl       7.08784998       6.35192001       8.09610005      -0.13670374      -0.72722135      -0.57984093
Cl      11.30139995       8.71950995      11.04010001      -0.38568934      -2.27766309       0.76352295
Cl       5.48353002       1.16940999       4.06353999      -1.72485050      -1.01573280      -0.73340715
Cl       1.26677005      10.19580003       4.69064998      -0.42605329       0.69554125       1.20254564
Cl       2.17012998       3.27381996       8.22093001       1.18454578      -0.32217731       1.55728109
Cl       3.86921998       8.33632005       4.10275000       0.25707371      -1.37394551      -1.28453424
Cl       7.00144003       8.73880995      10.04900004       1.20263334       1.02362528      -1.63461450
Cl       2.39325995      10.57949997       1.44265996       0.58446840      -0.32080641      -0.60575046
Cl       7.63791003       2.56693004       8.96797002       0.74523146      -0.65808726       0.20083345
Cl       2.64691002       3.23640995       1.54601996       0.24565529      -0.60585772      -0.18445798
Cl       6.93377005       6.09234004       3.72035997       0.00974392      -2.27916927       1.10969303
Cl       9.14928999      10.80700001       4.40219998       0.52366439      -0.05360894       0.40094385
Cl       7.67165996       1.76165000       1.20357997       0.37834315      -0.56722578       0.19458488
Cl      10.71080003       7.66500999       5.53256000      -0.89171798       0.20942523       0.03783715
Cl       7.39374001       9.96465997       2.08198996      -0.86765828      -0.90874714      -0.52902482
Cl       9.02130999       5.13252999      10.88839995       0.68439190      -0.01635016      -0.07091714
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.08331573 stress="-0.010358727243013332 -0.001251180552740219 0.0008427489906361267 -0.001251180552740219 -0.012552834199988348 0.0005310913097553047 0.0008427489906361267 0.0005310913097553047 -0.015559852806709986" free_energy=-228.08331573 pbc="T T T" config_type=melt 
Li      10.73960002       9.43190994      10.16240000       0.30461332       0.09039461      -0.27036380
Li       7.63659004       3.70367004       7.59580999      -0.00112681       0.26829061       0.41528657
Li       0.07381988       1.75413998       5.16056004      -0.34112688      -1.72922661       1.62712873
Li       9.05788001      10.38410003       3.91902001      -0.76774891      -1.38609880      -0.70198546
Li       1.98388003       4.42671004       3.70809996      -0.08628916      -0.53505226      -0.10425780
Li       8.42254004       7.48765998       9.11086000      -0.10136418      -0.00399782      -0.42421443
Li       5.09674998       9.56237998       4.34238005       0.12933321       0.12925534       0.22393576
Li       3.46557002       1.19432004       2.80700995      -0.05369046      -0.23621235      -1.41405286
Li       0.80565698      10.71309999       1.31818001       0.76363341      -0.69654745       0.23366408
Li       0.38349805       5.02090998       9.72547003       0.09284032       0.70307134       0.82297501
Li       2.88659005      10.98800001       9.06672000       0.10092244      -0.13684381      -0.09304696
Li       5.93931999       5.97831998       5.88054997      -0.02745859       0.26109741       1.87850176
Li       8.98050999       0.26713997       7.04445997      -0.33785002       0.35071989      -0.22219506
Li       4.85791004       5.43716997       1.17370004      -0.00998886      -0.48855825       0.14014837
Li       8.26180005       7.12144995       4.61862002      -0.23027764       0.61780348       0.02997663
Li       7.27376002       9.13086998       0.50681301      -0.38236011       0.00437581      -0.72873016
Li      10.27920003       6.52297005       2.13799996      -2.58019385      -0.89760121       1.17463173
Li       6.65351999       0.98297798       2.19941996       2.12900346       0.33667808       1.26615696
Li       4.95061996       1.72340998       6.14841000      -0.87042398      -0.68694979       0.46156480
Li       7.33268997       3.79114995       4.14852997       0.54895496       0.61990681      -0.58509277
Li       6.88497005       1.18414996      10.07750001      -2.00391342      -0.82216108       1.09187573
Li       4.15516997       4.82658000       9.33389998      -1.16362024      -0.20872151       2.54292883
Li      10.44689998       9.15373996       6.86617998       0.13174719       0.23097074       0.06368229
Li      10.87000001       5.23200005       6.31120003      -0.05000194       0.49522355      -0.62992619
Li       0.90046601       8.16646998       3.56815996       1.84953914       1.15409730       4.05024775
Li       5.60290998       9.96197996       8.01275003       0.96531114      -2.22518825      -0.64780579
Li      10.79769996       2.99559999       1.65454004       0.06351770      -0.51859167      -0.07801060
Li       3.68397005       2.46631998      11.02499995       0.56713756       0.11936608       1.09806313
Li       0.45970296       1.88597003       9.19543005      -1.80369890      -0.14192199      -0.33928721
Li       2.60929996       7.81417002      11.20589998      -0.11831690      -0.92508761       0.18343432
Li       7.96049997       4.61251999       0.66873095       0.57244375       1.68254157      -1.04536324
Li       2.89923997       6.51300999       6.99754997       0.43167085       0.18238436       0.11674066
Cl       2.26401006       5.90362997       8.99196005      -0.72783380       0.17386609       1.03192605
Cl       2.42674001       1.74916001       9.49470003       0.83800618       0.02881429      -0.14785981
Cl       5.09545004       0.79795001       1.11770999      -2.65541827       0.02583090      -1.70724563
Cl       1.64162999       5.71087002       5.35112000      -0.29156292       0.77380934       0.14055701
Cl       5.59173999       3.77552001      10.70659997       0.06872608      -0.15395722       0.27196557
Cl       6.31273005       6.03145004       3.93977999      -0.80033972       0.08677198      -1.84586333
Cl       5.09259005       0.35169694       8.27966003      -0.62226893       2.10822095       0.64943124
Cl      11.26209994      11.38680001       7.64645001      -0.23484917      -0.12574943      -0.02874195
Cl       0.19961994       2.97310994       3.69186998      -0.10616966       1.30073236      -1.14446779
Cl       5.01905999       5.17384004       7.73026994       1.80620686       0.19392102      -3.14287901
Cl       6.73299004       2.71216000       5.89188000       0.57296844       0.08409239      -0.19722788
Cl      10.67550002       7.69217001       8.45956003       0.38185827       0.09482495       1.08818212
Cl      11.10770005       0.70518197       0.37913704      -0.60131868       0.72844937      -0.36903948
Cl       4.03597997       8.48454001       7.24733004      -0.21446524       0.28848969      -0.34858592
Cl       7.36298995      10.32370001       2.22860996       0.22512648       0.40275602       0.99120210
Cl       0.17981804       7.80551001       1.97018996       0.46011326       1.06983809      -4.56994093
Cl       9.24825000       5.26487995       4.64314005       1.18165306      -1.36800470      -0.72525492
Cl       7.66385003       9.52846004       9.73076997       0.13995464       0.31079007       0.00521729
Cl       3.17989999       1.48111001       4.78121000      -0.04693902       0.21758073       1.37903098
Cl       1.79272004       9.58122004      10.65009999      -0.91578706       1.28371262      -0.52251248
Cl       4.53694001       7.03046002      11.23630004       0.74419587       0.12057296       0.14468211
Cl      10.39970005       5.01870998       0.81400103       0.09277958      -1.46728932      -1.81482446
Cl      11.21670002       4.01004995       8.04379003      -0.64049027      -1.39114076      -0.23662720
Cl       9.34139005       0.74123805       4.57277998       0.64329724       1.82630393       1.04936890
Cl      10.10059996       8.63573002       4.76902003       0.52634731      -0.06989896      -0.23815526
Cl       6.83988998      10.18539998       5.85160002      -0.05221408      -0.04923907      -0.20621334
Cl       7.98809002       7.31047999       1.25069002       0.50888400      -1.33858768      -0.02728011
Cl       2.56946995       9.97026004       2.67597002       0.20794726       0.11130414       0.52315921
Cl       2.43303997       3.73277006       1.72569997       1.17199175      -0.01905864      -1.18018067
Cl       7.47806002       3.15743997       1.88541997      -0.21731957      -1.48176370       1.50329607
Cl       8.30156001       1.91667000       8.99860005       1.86573336       0.83666399      -1.38717395
Cl       8.12781999       6.86859000       6.88443994      -1.03003085      -0.21007293       0.92544469
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.5738772 stress="0.0018817075476326912 0.0024667071212327607 -0.0014820450062580268 0.0024667071212327607 -0.008465254581750042 -0.002110847434729963 -0.0014820450062580268 -0.002110847434729963 -0.010047484984496912" free_energy=-227.5738772 pbc="T T T" config_type=melt 
Li       4.24865005       3.14174996       6.89120994       0.02085109       0.26251771       0.07678340
Li       7.34590003       9.12598998       5.43038002      -0.49444115       0.38730852      -0.21779230
Li       8.20611002       1.02560997       1.57116996      -0.40418137      -0.37166131      -0.09097311
Li       5.42969995       6.96727006       0.61439095       0.19407924       0.13167032      -0.64002069
Li      10.25179994       6.53009005       4.33954998       1.78810499      -1.48017055       0.16612857
Li       4.75618003      10.25099997      11.22629998      -0.95157820       2.95585930       2.13747744
Li      10.17189999       6.16330004      11.35470003      -0.01780939      -0.12799672       0.26072850
Li       8.40219002       4.29002005       9.25717001      -0.17554137       0.29132123      -0.16715633
Li       9.87298000      10.81390002       9.37507004      -0.04317725       0.31328112       0.73511750
Li       7.04313000       8.02138000       9.07212999      -1.00261703      -2.59966935       0.90113211
Li       4.99984001       3.01533999      10.55240002       0.49845612      -0.15166531       0.58771682
Li       1.67412997       4.68526005      11.22970005       0.37968335       0.12529200       0.06377375
Li       1.36821998      10.09619997       0.15368395      -0.69546549      -0.30113097      -0.24960102
Li       7.42046004       5.19886003       2.07652001      -0.02174604      -0.60846514      -0.04195083
Li       0.25070902      10.08089997       3.29191999      -0.08011727       0.78350371       0.44183475
Li      11.30730005       2.22569001       0.91414198      -0.14335773      -0.19134093       0.28261372
Li       7.13676004       5.86801997       5.01052999      -0.56557304       1.69190358       1.47051077
Li       6.56812005       0.53203500       8.58249002      -0.08276695      -0.64007850       0.93900072
Li       4.45665004      10.03260004       2.94051997       1.43048328       0.18286212       0.14930324
Li       0.68579897       3.83313994       3.56415996      -0.11388694      -0.40835473      -0.22928748
Li      11.09180001       8.31493997       7.89253995       0.01711805      -0.92010794      -1.04578195
Li       2.53785995       7.18711001       2.36743001      -0.01837081      -0.47784469      -0.26465097
Li       2.69847004      10.48420005       7.98827999      -0.29134036      -1.40970619       0.77187363
Li       0.80398297       0.59963401       5.71776005      -0.28662968       0.16026823      -0.40674677
Li       4.90237999       3.72413998       3.06628003      -0.46007410       0.13758030       0.12324313
Li       4.29899005       6.21115000       9.57398000       0.42377968      -0.02440205      -1.99087969
Li       3.31601997       1.24268004       1.43234005      -0.64509406       0.41684836      -0.83333773
Li       8.90751004       8.85454999       1.94678001      -0.45923691       0.41721501      -0.23801944
Li       8.53916994       3.19343002       5.32518997       1.49356782      -0.65550485       1.58988914
Li       4.84267000       0.62860700       5.36184999       0.37794684      -0.29720948       0.02456518
Li      11.31449996       4.19097005       7.81962999      -0.34378698      -0.50252255      -0.15991958
Li       2.68765006       6.67497001       5.82633997       0.54422994      -0.14998911       0.13018280
Cl       6.26461997       3.16484005       1.28957995       0.05980588      -0.30192063      -0.63860483
Cl       3.30938995       4.02591995       9.79234003      -0.31485808      -1.27141960      -1.73912166
Cl       3.97273005       1.03398004       3.41189999       0.63515541       1.29762611       0.79337493
Cl       4.67896994       6.37259996       2.49717998       0.61586620       0.20798851       0.90633099
Cl       6.36924001       5.66921995       9.16757998       0.63835881      -0.34511443      -0.61799495
Cl       3.24580000       6.44767999      11.17024504      -2.15910814       1.57363642       2.70407345
Cl      11.33199995       9.88349997       5.73958002      -0.05646985      -0.20038842      -0.07092042
Cl       2.87041006      10.40179996       1.74811000      -0.95415381      -1.30053261      -1.06290591
Cl       2.96144997       0.44329505       6.55186003      -0.37461933       1.26929402      -0.16512808
Cl       5.09628006       9.82966004       4.91289995       0.81820506      -0.78558189       1.63503577
Cl       8.99867996       5.49998998       6.48751000      -0.16999783       0.22438886       0.91281857
Cl       9.50121002      11.06169997       0.37284602      -0.23340095       0.07849941      -0.43313901
Cl       4.80258996       0.70962896      10.34800004       0.17668941       0.58244009      -0.49255338
Cl       5.30046003       8.67983998      10.52699999       1.14499890      -3.34630234      -1.49242059
Cl       0.46005801       9.61816999       9.18722002       0.22304692       0.95154546       0.99110087
Cl      11.19319996       3.47915003       5.73953003       0.29891369      -0.90017170      -0.14035062
Cl       1.58189995       5.77441997       4.15661997      -0.85804062       1.37298030      -0.10146219
Cl       9.64239000       2.46794997       9.56884996      -0.08375038      -0.01842740      -0.26132505
Cl       7.91890000       6.32023996       0.36556803      -0.05812169       1.39914957      -0.52949417
Cl       2.99463000       7.97034997       7.58437999       0.03124374       0.06865671       0.08023193
Cl      10.10669999       4.65598005       1.69636998       0.96529888      -0.53791045       0.28735025
Cl      11.02779998       1.08649000       3.34301996       0.14955071      -0.09641627      -0.13315541
Cl       6.26901996       1.88709995       7.02918003      -0.04567078       0.56306031      -0.89444241
Cl       2.38304001       3.76021004       1.84477004      -0.29098727      -0.67653097      -0.37502042
Cl      11.27339994       5.70750996       9.31156997      -0.06908490       0.76496102       0.78497048
Cl      11.24119999       8.64967998       1.73860003       0.27040730      -0.84073924      -0.16957467
Cl       7.48074003       4.23112999       4.06085001      -0.71850274      -1.42072232      -2.38485994
Cl       6.78404999      10.30690002       2.15345003       0.17210371       0.00987168      -0.19107291
Cl       8.63895997       7.64662999       4.31514001      -1.76847651       1.63874502      -0.73906147
Cl       1.14266004       0.77309602      11.28870005       0.40637841       0.81757475      -0.26480058
Cl       7.51188997       9.82933996       8.69112003       1.60087715       2.66901460      -1.34109836
Cl       4.45922996       4.84077003       5.27444999       0.07683443      -0.38686573       0.86746251
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.28490157 stress="-0.011874835179220212 -0.0005579874018843254 0.0004659435734539961 -0.0005579874018843254 -0.014113737197531326 -0.00538505351906331 0.0004659435734539961 -0.00538505351906331 -0.013172041774933883" free_energy=-225.28490157 pbc="T T T" config_type=melt 
Li       7.75806005      10.91290004       6.42487995      -0.12152731      -0.80301007       0.67121462
Li       8.03056002       7.65503996       6.38495995       0.29633439       1.68754973      -0.60331032
Li       7.95339005       2.78332005       1.46273999      -0.11820428      -0.16585894       0.27248856
Li       5.19841005       1.57515998      11.00409999       0.45511706      -0.38704439       1.09885982
Li      11.25909997       3.58051995       3.17339000       0.55257580       0.92920963       0.62974801
Li       4.80641995       6.61292005       0.41717999       0.22104485       0.02850603      -0.62080220
Li       8.14092997       2.59621004       9.07279997      -0.54769033      -0.34884119       0.64063476
Li       0.00281987       8.30460997       5.85476004      -0.33056153       0.10818566      -0.33125501
Li       7.76713001       7.30449999      10.19730002      -0.46918294       0.21059857      -0.38497293
Li       6.66544995       9.54517004       1.06581004      -1.48348632       4.15162851       0.51330923
Li       2.79467003       9.96139001       1.32118995       0.37301091      -0.28543155      -0.40295743
Li       3.29011001       4.51431995       9.94301999       0.50617404      -0.10479526      -0.92269693
Li      10.79919994       9.42269002       9.20126995       0.13210721       0.08732450       0.11444309
Li       9.70078996       0.44958195       4.37811995       1.78495805      -0.43334494      -0.51727038
Li       3.20318004      10.15819994       5.67852998      -1.07384321      -1.48507524       0.11799409
Li       9.06606000       6.98464004       2.80632003      -0.24207397       0.16535461      -0.25516085
Li       5.33828998       5.46202005       7.75793004      -0.73783974      -0.69997868      -1.16984638
Li       6.89185000       3.31253002       5.17363001       0.18502269      -0.17593252       0.17666859
Li       5.28104000       9.89761995       9.13764996      -0.11158773       0.52725111       0.09620867
Li       2.53761003       1.17965000       3.44245998      -0.12026222       0.31093130       0.02772228
Li       1.01978004       7.11737004       3.31323003      -0.67478367      -0.37425938      -0.24721460
Li      10.88460000       6.96619998      11.12979997      -0.02876639      -0.04461692       0.60168564
Li       0.96594997       1.95127997       0.18994696      -0.15368513       0.62901958      -0.36231718
Li      11.46156432       1.50756005       7.60841003       2.64702775      -2.43537945      -0.53385507
Li       5.53493998      11.44760002       3.86241994       1.46940055       0.04656342      -0.57578919
Li       2.76739994       8.26987996       8.53044998      -0.05376804      -0.12890047       0.48956643
Li       9.96425000      10.73179995       0.86189295       0.36001772       1.02933826       0.14857300
Li       4.96889001       7.80579994       3.80066003      -0.08302861       1.09360813       0.95789433
Li       1.95759003       4.12887996       5.51439003       0.22036556      -0.15395456       0.46501044
Li       3.84522994       1.42787998       7.57667003       0.10062059      -0.10525015       0.02508010
Li      10.20780004       5.29252996       7.15247000       0.25565861      -0.69026976      -0.34098346
Li       4.16140997       4.34278004       2.18952995       1.44373152      -0.30969203      -0.96213407
Cl       6.83191004       8.93989995       7.85950001       0.09568607       0.86856891       0.26378993
Cl       3.00725997       4.04402996       0.43179695      -0.76476087       0.06244081       0.24135094
Cl       6.79571994       0.58385905       1.61691003      -0.09912470      -1.11586911       0.34658748
Cl       4.40816003       0.25993696       5.64933997       1.55008049       2.98919517       1.67412857
Cl       0.90741095       1.98006001       5.48554006       0.09154757      -0.23646005      -0.17441349
Cl       7.26277999       7.83774998       0.94903397       0.78993168      -4.36504603      -0.02873909
Cl       6.96224996       4.06568002       3.20135000       0.35680832       0.03978538      -0.23272683
Cl       2.87658999       3.78299002       3.53124005      -1.35223885      -1.22461923       1.62967046
Cl       2.12717997       7.82190004       5.03920995       1.26036169       1.10085612       0.74733505
Cl       6.52207996       0.98312198       9.39668995       1.08020180      -2.60400853      -2.42109523
Cl      10.76030004       5.88389994       1.73272001       0.22940440      -0.56703731      -0.41054619
Cl       2.09015998       0.51909504       1.18396997       0.14817053      -0.00478641       0.66696677
Cl      10.05689996       2.63456001       7.97482998      -2.96802198       3.17411195       0.35887844
Cl       0.86193296       7.45147000       9.62141002       0.75113646       0.22116958      -0.40260163
Cl       3.18036005      10.42860001       8.16079998      -0.42176683      -0.89200679      -0.25937271
Cl       3.43203000       4.41907001       7.72492002      -0.75797074      -0.34001313      -1.19842227
Cl       9.64763995       8.97667003      11.23700005       0.56262683      -0.27469690      -1.06984041
Cl       7.94203996       1.05937996       5.03000001      -1.87147628       1.35420333       0.29347146
Cl       0.05289378       0.63034498      10.14380000      -0.63383276      -0.73413040      -0.58321680
Cl       4.75776004       6.29081998       2.54250000      -0.29672030       0.16320901      -0.31956359
Cl       7.10353002       6.01545003       6.92706001      -0.03561221      -2.74683925      -1.08321076
Cl      10.44310003       2.09167005       1.95738000      -0.58517112      -0.83105661      -0.31776636
Cl       5.39931996       6.11873999       9.58211998       0.19167961       0.78924655       2.55162761
Cl       3.68227002       1.67801005       9.70622999      -2.17404765       0.61207546      -0.42980657
Cl       9.68506005       7.26396001       7.86349004       0.74478342       0.66194532       0.26708041
Cl       3.69823999      10.56209994       3.32182996      -0.89110437      -1.73207993      -1.32820170
Cl       6.73249994       3.01055996      11.09220000       1.21535981       3.09672837       0.88497988
Cl       0.23807997       5.51224002       5.11199002      -1.20061552      -0.52505580       0.27212981
Cl      10.43129996      10.53719999       6.07550005       0.01388304      -0.22343341       0.77532393
Cl      10.55670004       8.56876005       3.45682002       0.00724771       0.36630803       0.05782600
Cl       6.73493003       9.00129003       4.28845002       0.45876501       0.19557289       0.22305865
Cl       4.01448995       8.60456999      11.13929996      -0.14808616       0.84828850       0.18878257
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.73285118 stress="-0.004366779585453304 -0.002525563041844631 0.005502242265648719 -0.002525563041844631 -0.01090801438687427 0.00354429777983189 0.005502242265648719 0.00354429777983189 -0.0029546643850265827" free_energy=-228.73285118 pbc="T T T" config_type=melt 
Li       8.14482003      10.62120003       9.14461004       0.08997945      -0.11977715       0.00666154
Li       7.90338000       8.70194999       1.04877997      -0.93689024      -1.22559830       0.64648047
Li       0.83974602       2.34017999       8.92757001       0.28213273      -0.28678383      -0.23796700
Li       6.12348998       5.91078001       1.10345003       1.04288739      -1.26717673       0.63892439
Li       9.92900995       4.32191001       5.97405997       0.16804774      -0.64582522       1.17887600
Li       4.59476996       8.94224004       3.22514996      -0.41804196      -0.21683938       0.20406077
Li       7.42399998       2.24284997       8.10809994      -0.92287351      -0.51705827      -1.20168586
Li       8.31834005       7.76420994       6.41678995       0.12194692      -0.27069227       0.30084851
Li       9.73071998       5.27119998       2.24139997       0.20240976       0.27386863      -0.22642164
Li       8.29404999       2.50909997       0.81204201      -0.40974896      -0.02686197      -0.28172223
Li       4.20673997       2.09367000       0.85456899       0.39052745       0.25648342       0.54452823
Li       4.08740999       4.15520998       9.10519997       0.19273827      -1.38988484       0.21023632
Li       1.21820002       6.44575995      10.11479996      -0.07286317      -0.40158212       0.42244103
Li       0.09651915       7.90104002       4.41551998       0.06399644      -0.14301293      -0.76118366
Li       3.34691999       8.04441999       6.38712005       1.47870782      -0.09916276      -0.30106713
Li       8.85024997      11.31110000       2.56444997       0.31926257      -0.13279024      -0.30822819
Li       5.11985004       7.20373998       9.88313999       0.07189605      -0.09889952      -0.05683104
Li       5.66584005       5.66164997       6.04443999      -0.17722600      -0.08288743       0.15814429
Li       0.99074905       9.34189001       7.64544998      -0.47527124       0.83297165       0.70250872
Li       1.49790002      10.97520003       3.32729005       0.37741787      -0.18330058      -0.41879956
Li       3.51018005       9.75260002       0.21741996       1.10257025      -1.47977472      -0.74901405
Li       2.32057997       1.22118004       5.79099995      -0.08948740       0.30312036       0.30988727
Li      11.37629999       9.48933005       0.25725099       0.26163958      -0.02685168       0.10960254
Li      10.09490004       0.41078098       6.88891995       0.27841907       0.60617859       0.00133041
Li       7.02905003       3.74526005       4.18276999      -0.50485628      -2.13779535       0.73684232
Li       1.79880998       5.30101995       6.55922996      -0.97986488      -0.46607832       0.81124210
Li       5.77150999       0.13612698       5.32044995      -0.26360532      -0.00527492       0.14750783
Li       2.87286995       6.29863999       1.86585996       0.07935487      -0.23023766      -0.15890420
Li       3.62812995       3.75596000       3.98044001       0.23857254      -0.01771567      -0.30130149
Li       4.26265997      11.31320002       8.81414001       0.59535812      -2.29173592       0.42541953
Li       9.52941995       5.25517005       9.62745995      -0.40483961      -0.21392744       0.01462622
Li       0.88293196       2.01160994       1.07246999       0.74278215      -0.04473460       0.56927121
Cl       1.36433004       8.62389005       9.84524000      -0.71926005       0.33529959       0.01780027
Cl       2.23997003      10.93720913       1.09475999      -1.56120336       0.28150366       0.80068396
Cl       8.93135998       9.94604003      11.32029997       1.05654413       1.05337048      -1.01841959
Cl       6.15671003       7.86020002       5.86809001      -0.49232375       0.30833840      -0.14163816
Cl      10.81119995      10.08119999       2.96804995      -0.09903763      -0.35121557       0.37063582
Cl       0.79762396       3.17449000       6.14574995       0.28415270       0.52074266      -0.52317223
Cl       7.21757003       1.27134005       2.52359999      -0.40376303       1.13361918       0.39856408
Cl       1.31562003       7.72674995       6.28167997      -1.39400757      -0.14306349       0.38724762
Cl       7.55834999       5.13340999       3.01758997       0.15415724       1.60844511      -1.47944833
Cl      10.36639998       1.94467001       1.56693998      -0.98755513       0.20104408       0.17090179
Cl       3.24404000       5.58241001       5.15930001       1.42210570       0.05766992      -1.00934280
Cl       4.60456000       4.34996998       1.65812996      -0.20856330      -0.14010685       0.03735138
Cl       8.21087996       5.34865002       7.74107996       0.22603863       0.98891240      -0.75062290
Cl       4.78921000       7.33372004       0.64826503      -1.16741521       1.13562774      -0.09539556
Cl       2.42247002       2.17091999      11.18669995      -0.32876300       0.98910817      -1.89589031
Cl       0.82537704       0.37341992       7.38477999       0.30093090      -1.12231759       0.26810990
Cl       2.45064005       8.06684000       3.17294003       0.11426065       0.39391432       0.15913595
Cl       6.38283997       0.10545498       8.10034997       0.84569362      -0.34058723      -0.88643486
Cl       9.47572000       2.29551000       7.92689003       1.13958074      -0.52255128      -0.70131720
Cl       8.14650998       6.27155001       0.15578604       0.69386872       0.34813075      -0.50996434
Cl       3.31921002      10.68139999       4.93839995       0.56162639       0.23483888       0.48473784
Cl       0.28208996       4.50489998       9.15104001       0.00886156       0.92603890       0.31843031
Cl       5.81758000       3.34294005       5.88431002      -0.21792647      -0.48043050       0.18343948
Cl       3.85185997       1.65947999       8.50762999      -1.19894675       3.41660023      -1.03377696
Cl       9.39213004       9.88840003       7.19824996      -0.24710354      -1.05713232       0.00796551
Cl       4.47803000       9.26411003       9.71514003       0.28166521       0.78032340      -0.64474299
Cl       7.20020004       3.11639006       9.86370001      -0.69470997       0.75411607       2.76270175
Cl      10.08309997       5.77585002       4.47549995       0.93928853       1.25969801      -0.05016046
Cl       3.76325002       6.10707004       8.33529996      -0.00274717       0.29373281       0.13246655
Cl       2.93102996       2.02700005       2.78738001      -0.62629040      -0.49265255       1.42403492
Cl       6.37470996       9.81273005       2.36471997       0.32400123      -0.33258987       0.15816790
Cl       0.66602102       6.28707999       1.13274000      -0.44823808      -0.28879034      -0.47836197
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.180825 stress="-0.009111924934162666 -0.0010535748544109576 -0.001199293433105125 -0.0010535748544109576 -0.022168130896995302 -0.004495384751278977 -0.001199293433105125 -0.004495384751278977 -0.013758637133896693" free_energy=-223.180825 pbc="T T T" config_type=melt 
Li       1.55198001       7.20697004       9.06382000      -0.55588094       0.40622478       0.66113559
Li       0.59533903       2.02995004       1.88638997      -0.11994609      -0.68661696      -0.77723687
Li       3.07335005      10.99860000       4.58832005       0.21504072      -0.63526219      -0.05249801
Li       8.08162995       6.52688005       2.86852005       0.50600783      -1.70985856      -0.57005397
Li       1.68558003      10.98980002       7.56648998      -0.49792367       0.58398318      -1.80410769
Li       8.58667998       7.26962004       9.29115002      -0.08087159      -0.52213608       0.41553345
Li       7.57065002       2.10861999      10.76849998       1.45025584      -0.11055798       2.25657893
Li       2.20651004       3.90222003       0.55621099       0.22708003       0.26423249      -0.40343396
Li       8.59347005       2.72117998       4.18708996      -1.64696215      -2.23013237      -2.02193477
Li       5.48235001       4.97281996       0.64091402       0.21129131       0.12579775       0.16946130
Li       0.90423902       2.84654005       9.40771997       1.32163528      -0.62291273      -1.39180468
Li       0.09881992       2.39970001       6.06162999      -0.24269760       0.14677584      -0.11338970
Li      10.59760000       8.81159999       0.40550202       1.18576378      -0.71275755       0.10604879
Li       9.82650003       4.98697995       0.35677998       0.05013719      -0.27291101      -0.16995238
Li       7.08119003       9.89776005       5.76332999      -1.16298411      -0.86197950      -1.04673650
Li       5.60880996       2.17988998       2.72368997       0.22018665      -0.07383969       0.10722469
Li       6.53506005       6.52202000       6.30524995       0.00440461      -0.27168943      -0.37716533
Li       2.30280999       7.53957001       1.91997996      -0.40066520       0.96183448      -0.05178718
Li       7.99639005      10.96049996       1.80230005      -0.02125367       0.16954724       0.04238537
Li       3.92373997       4.22211999       7.92810994      -0.24682367      -0.91176208       0.16802115
Li      10.82209996       9.33798997       4.54498002       0.36150615       0.04521837       0.03152177
Li       2.24304005       7.19202004       5.80163995       0.97290556       0.61413080       0.23419428
Li       4.55777003       9.22732998       8.47957002      -0.07498779       0.18575798      -0.05704200
Li       0.32180899       5.58426998       4.06885999      -0.33082374      -0.86231616       0.02728330
Li       4.29780005       1.65020998      10.82019998       0.06370703      -0.62867981       0.22335716
Li       7.02893000       3.04462997       7.49139000       0.83163428       0.45555888      -1.79253275
Li       5.30803001       8.86817999       3.03658995      -0.64845859      -1.18682631       0.18376524
Li       3.05964004      10.23150003      11.19929999       0.15937068       0.73860405      -0.21947510
Li       7.01871005      10.55090003       9.37073001       2.21055594       1.39580034      -0.81726252
Li       9.80395002       0.12141200       8.41468001      -0.20828169      -0.57259231      -0.43164953
Li      10.72860004       5.73497998       7.67508996      -1.45643681      -1.20453634       1.59910454
Li       3.70809996       4.22225996       3.75970997       0.00779269       0.04435070       0.20044880
Cl       7.27433002       8.81128002       8.61990003      -0.28311876      -2.71621774      -1.14590091
Cl       0.44007301       7.48536002       3.02467994      -1.92765443      -0.12465773       0.14577434
Cl       1.87349999       8.95268996       7.75265005      -0.18083354      -1.26427495      -0.72012037
Cl       3.07178999       6.11931997       8.13771997       0.89081073       0.45427341      -0.21784662
Cl       8.12850005      11.17499996       6.84573000       1.46295755       1.65064480       1.04095125
Cl       0.77609496       3.18322005       3.63775995       0.45139319       0.90842309       0.44094208
Cl       7.88298000       6.03910004       0.93216199       0.26579827       0.60100546      -1.33543590
Cl      10.61339996       6.50396995      10.24820004       0.34764775       0.42460801      -0.75315135
Cl       2.05252000      11.37389995       9.42102002       0.33749702       1.19714705       1.89831956
Cl       3.98848002       3.61910000       1.66216997      -0.03462838      -2.23746400       0.86367074
Cl       3.04403004       8.69579001       3.83460003       0.39143960       0.93886219       0.52596082
Cl       5.48191998      10.95380000      10.34489999      -2.87039032       0.29504850       1.85002025
Cl       7.65233003       7.80733994       4.17429995      -0.19201757       2.10607391       2.45438732
Cl       0.25249297       6.39345005       6.14608998       0.40727044       0.72082104      -1.22109514
Cl      10.53810005       2.04657004       8.68035003      -0.96180141       0.15225873      -0.53532524
Cl       8.82387995       1.58448996       2.20438995       1.69692266      -1.41118702       0.43591212
Cl       2.90081998       0.60457500       1.03588002      -0.10942577       0.25602721       0.86349107
Cl       3.12561995       3.22928994      10.00069999       0.56243495       0.75927614      -0.01296754
Cl       9.30987004       3.93550003       5.38232003       1.86634652       2.22434039       2.21998172
Cl       0.05899977       0.09101996       5.34013997       0.49228527      -0.65767949       0.09306162
Cl       6.26795000      10.67339999       3.34797000       0.35815613       1.14302181      -0.25311425
Cl       6.22940996       2.82572000       4.94388997      -0.35414826      -0.47096664       0.10530151
Cl       6.93932003       3.25938001       1.21855002      -0.76958741       0.15324496      -1.10433393
Cl       7.73680000       5.35557994       8.15476002       0.00368382       0.37154467      -0.32849681
Cl       6.40859001       2.44189005       9.29848005      -1.83425015      -0.07259777      -0.83627767
Cl       1.44085996       9.02609999       0.43567004      -0.48403157      -0.57403678      -0.40692769
Cl       4.82953996       9.98944001       6.41725001      -0.21463717       0.22410730      -0.19956771
Cl       4.98545004       5.84555995       4.45732998       0.19548559       0.37520269       1.52481195
Cl       1.90211002       3.19063996       7.22196004      -0.20400609      -0.21113867      -0.90801093
Cl       0.25191987       3.41532999      11.20888814      -1.46223243       0.66384664       2.62409052
Cl       8.96370003       9.91304996      11.34700005      -0.85134222       0.84155884      -0.13713334
Cl       3.88344004       6.31434996       1.73840996       0.69969771       1.21843410      -1.29897292
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.90904061 stress="-0.015517460932357154 0.0058303893457986485 0.0022754977276972137 0.0058303893457986485 -0.01352474000599273 -0.006248482589267352 0.0022754977276972137 -0.006248482589267352 -0.021324219600046733" free_energy=-223.90904061 pbc="T T T" config_type=melt 
Li       9.47397995       8.09533997       0.27891699       0.78057759       0.07421472      -0.09833633
Li       1.04532005       2.22899998       6.34559998       0.05318575      -0.28248065      -0.07443040
Li       1.09155996      10.21590001       4.80649997      -1.18058026       0.90447361      -0.07724334
Li       8.78353004      10.65180003       3.04211998       1.21850571      -0.91524555       1.54701731
Li       4.65999002       1.07462997       7.02514002       0.06772227       0.05310662      -0.61133461
Li      10.21190001       4.18965005      10.55359998       0.99501932      -0.06784828      -4.54023301
Li       9.48558994       0.86827305      10.67099994      -0.37306215      -0.38406924      -0.23055524
Li       3.22826997       6.52418996       0.82833195      -1.19062848       1.21996598       1.61735674
Li       4.73338996       0.52116503       3.69505005      -0.52344451       0.52384073      -0.68055154
Li       7.22600006       2.98834998       2.51701995       0.70251906      -1.19058984      -0.99317467
Li       2.37324997       5.52794998       7.88109997      -1.24626162       1.42578015       2.11774718
Li      10.70030001       7.64885005       4.93911005       0.79738789      -1.70032256      -2.62092744
Li      11.20390004       7.72234996       8.57512995       0.26837191       0.73226910      -0.01077821
Li       2.80448999       2.99991996       2.92560999       1.09784048       0.37692215       0.26340277
Li       8.01874001       9.10365000       6.20376998      -0.08188169       1.31837342       0.98494502
Li       5.58470000       9.73062001       1.12737002       0.25010522      -0.36716655      -0.38384500
Li       2.41096000       6.34346006       4.72916996      -0.40184730       0.98026943      -0.18525650
Li       6.98747000       6.26896000       3.09083996       0.57189886       1.58239670      -0.12214188
Li       6.43154998      10.58260003       9.37213003       0.16448022      -0.19586718      -0.27213462
Li       5.70523005       6.99006001       9.68125001      -0.30578174       0.59954016       0.25241989
Li      10.47670000      10.97640000       7.74581000       0.18885183      -1.44879698      -0.80418817
Li       5.04073997       8.68985002       5.46051995      -0.15716246       0.22969847       0.01168390
Li       2.78099005       9.48852996       9.44726004      -0.47851422      -0.10621716      -0.48369912
Li      11.34209998       4.71342996       2.17992002       0.58965071       0.72694126       0.91171033
Li       4.56851997       2.84431999       9.95990000      -0.10486478       0.24354105      -0.26296039
Li       7.56013005       2.58557004       8.14083998       3.12672241      -2.16995134       1.19140399
Li       0.72665502       9.15478997       1.36703997       0.33883345      -0.30607470      -0.89126609
Li      11.10909995       1.64092999       2.41925005      -1.02094724      -1.33089364      -0.89713207
Li       8.89503002       1.58386997       5.10193000      -1.52572792       1.23360159       0.15373859
Li       1.43122996       1.73162001       9.66249995       0.69967923      -0.02705476      -0.73796725
Li       9.03722997       5.81580006       7.05851999       0.13023757      -0.33202136      -1.13368991
Li       6.09116003       4.74014999       5.95438004      -0.47677554      -0.22215509       0.42880133
Cl       7.63989003       2.01012004      10.38190003      -0.09947865       0.06185522       0.58882906
Cl       5.65535000       8.60183003       7.64175997       0.26466444      -0.18242604       0.73368020
Cl       3.26158000       5.20984005       6.25081996       2.01866811      -0.88945214      -1.84425395
Cl       6.63078002       4.42202000       3.81290996      -0.55012729      -0.72209361       0.75418503
Cl       3.52744996       1.67847997       4.93966996      -0.83147259       1.08859682       0.70932665
Cl       9.84642002       4.15923004       0.83882704      -1.83208532       0.05189331       4.32178261
Cl       8.50441002       1.03745005       2.83456996      -1.21295413       3.78493721      -1.00976364
Cl       8.49651995       9.02956003       2.07079005      -0.31897674      -2.01854654       0.37021917
Cl       1.58664994       8.11757001       7.50924000       0.92240301      -0.58616239       0.58826848
Cl       4.65330004       0.14558203       1.69668995      -0.13054449       0.39439913      -1.16458356
Cl       0.72699001       7.00338999       1.58064002      -0.14333959      -0.72644644       0.19199864
Cl       8.58675003      11.40079996       7.87332994      -2.70480182       0.08338413       0.65949619
Cl      10.26159995       8.80210000       6.30229997      -0.75964274       2.18766286       2.82490115
Cl      10.01340001       5.69650001       4.70194998       0.58310731      -0.92324156      -0.23518589
Cl       8.82991005       3.19255999       6.68988996       0.78512673       0.96840546      -0.87384272
Cl       0.09598446       9.07088004      10.37329999      -0.33087844       0.32781133       0.48803316
Cl       2.77634002       9.08914000       4.77297005       0.92206471      -1.02858474      -0.64061748
Cl      11.43719997       1.61375999      11.09070001      -0.24583781       0.15386097       1.16839402
Cl       2.21219002       3.71674001       8.94872000      -0.34681444      -1.08793968       0.36777973
Cl       5.61534998      10.91199998       5.03489996       2.01804534      -1.38462590       1.81691522
Cl       7.55042004       8.62163996      10.94629996      -1.40933372      -0.08476901      -1.93582012
Cl      10.35240003       0.33935003       5.08019005       2.27670902      -1.27962090       0.86361870
Cl       4.09663003       8.57981999      10.99850003       0.10583804       0.53331582       0.48420432
Cl      10.17089996       5.89624995       8.85824000      -0.26561227      -0.75430041       0.73042767
Cl       0.85500601       2.76391996       3.57248005      -0.43118937       1.25522114       0.60894683
Cl      11.42149998      10.69029994       2.49557006       0.26752455       0.47743798       0.22341476
Cl       0.72841605       0.39520297       8.00316005       2.17058143       1.12894795      -0.21170460
Cl       7.55943004       7.52942000       5.02601995      -1.52260908      -1.16767573      -0.72118575
Cl       5.87842999       3.26117004       8.06675998      -4.11627488       2.08540594      -0.98325974
Cl       3.44284002       5.58276999       3.02671004       0.38928202      -0.54092492      -0.94457409
Cl       4.30205995       0.54854104       9.14840999      -0.10820918      -0.46081604       0.46071342
Cl       4.08033997       5.52083995      10.87720004       1.66205829      -1.92368946      -1.75872473
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.79094384 stress="-0.0026927161799713615 -0.0006461252377300948 0.0012649386738573488 -0.0006461252377300948 -0.007867925050426501 0.0027797963858542407 0.0012649386738573488 0.0027797963858542407 -0.006344532786232004" free_energy=-228.79094384 pbc="T T T" config_type=melt 
Li       1.49233996       2.34488000       7.94483999      -0.18042106       0.05443204       0.15739088
Li       9.58998001       5.98275998       2.80330997       0.74988399      -1.50991056      -0.64586366
Li       4.13550999       8.32597996       0.56990495      -0.36488381       1.88691654      -1.19336940
Li       4.81361000       2.35873000       6.90502005      -0.10814201      -0.08085743      -0.02096631
Li       2.81058004       3.64961000       2.30338000      -1.09637999       0.15770567      -1.58968145
Li       7.97165002       7.57936998       5.20890996      -0.84849733      -0.34396775       2.01980628
Li       7.47929003       3.77557997       0.51709303       0.41434373      -0.07911972       0.20506142
Li       1.50340001       5.83855000       8.83397998      -0.51293228      -0.04423028       0.60013257
Li       4.85093999       9.52531000       4.50199998       0.06737577      -0.09432109       0.43438815
Li       3.98272002       2.65579002      10.61039999      -1.09989566      -0.00284931      -0.47244906
Li       1.24625999       4.88839001       5.06821997      -0.39496830      -0.03717440      -0.22414059
Li       7.47172005      10.45959999       7.57020005      -0.50587230       0.11162861       0.04066943
Li      10.69630000       8.87658996      10.81830001       0.19481368      -0.26906827       0.14744660
Li       5.55621001       1.59096006       3.07592997       0.05261696       0.05976347       0.31123812
Li      10.54800003      11.11250003       7.05621005       1.31251205      -1.03912492      -0.50079923
Li       5.07383999       6.34673001       7.40151004       0.22866700       0.02351057      -0.53762822
Li       5.09032001       5.11015997       4.10134999      -0.14778271      -2.43250732      -0.93488024
Li       6.38411996      10.81720001       0.41614500      -0.25346035      -0.03078874      -0.23911940
Li       0.20350702       8.40066997       4.23262998       0.21227847       0.53586864      -0.82540921
Li       3.32958004      10.12279997       7.82697000       0.12918508      -0.02171445       0.31096378
Li       6.62923005       6.87637001       1.42597003       0.10505867      -0.43702220       1.08934373
Li       9.17477004       0.94314099      10.02159995       0.38574889      -0.29098157       0.37498730
Li       1.91747995      11.20130005      10.57299995       1.25744525       0.08462602       1.32070035
Li       1.43737000       0.66740201       4.66682996      -0.02545370       0.71681487      -0.30812252
Li       9.15336004       4.53480994       8.95759003      -0.61295813       0.70406324       0.45076860
Li       7.97223997      10.28299998       3.71059997      -0.13090770       0.19490263       0.28430447
Li       0.63457702       2.94301999      10.98610004      -0.78179352      -0.21552424      -0.11913506
Li       6.91976999       7.57211997       9.55230999      -0.24713828       0.38718774       0.92925615
Li       8.26960998       1.97536998       5.84839002      -0.10505867      -0.30941757      -0.17983822
Li       9.95795004       2.70047996       2.18766999      -0.07092968       0.08271906       0.08208784
Li      10.48109999       8.01535999       7.49147002      -0.81389596      -0.44167344      -0.50625130
Li       1.21470995       6.38987996       0.96829396       0.93639077      -0.08701439       1.20152041
Cl       9.22583997       0.69776905       4.16821998       0.50869485       0.17178338      -0.54633376
Cl      11.31379995       6.51712005      11.03020003      -1.72504646      -0.51694453      -1.62241193
Cl       5.40159997       8.59687001       7.57526004      -0.78163775       0.61934368       0.64029065
Cl       9.13424002       0.80104204       7.81256995      -1.78795522       1.79732564       0.11337093
Cl       0.63310295       8.32252004       8.74289994       0.98710133       0.47304747       0.02327003
Cl      11.12348510       3.88445005       8.81239996       1.49215936      -0.04082746      -0.92657427
Cl       2.34321998       4.20074999      11.11459994       1.08311125       1.95384789      -0.83199727
Cl       4.44620998       6.76919997       1.68749996      -1.14662241      -2.62707474       1.74838894
Cl       1.82900998       1.83317003       1.07106000      -0.17277233      -1.59348993       0.95873300
Cl       0.29474802       4.91231000       2.63434001       0.19484181      -0.35556837       0.51861099
Cl       8.69166997       7.69728996       3.36358997      -0.29029218       1.52671396      -1.29230638
Cl       8.01571000       3.91309997       2.74296005       0.31979205       0.31721699       0.03062543
Cl       8.98872002       9.45053997       6.33355996       0.88304195       0.05485729      -0.70321825
Cl       7.45521997       5.82462996      11.28960000       0.66000449      -0.57510538      -1.36021536
Cl       0.94396298       2.69184002       5.74130998      -0.11180874      -0.35114529      -0.11055131
Cl       5.42695999       6.82195996       4.87379999       0.59888495       2.40683520       1.11375209
Cl       3.38802001       1.17796005       8.64510000       0.23473505       0.35939690      -0.64652996
Cl       6.33725994       8.58139002       0.36276697       0.16976916       1.19203510      -0.93201028
Cl       6.16731002      11.29109999       5.60067995      -0.11736196      -0.29825331       0.54974267
Cl       1.84855005      10.23960000       5.56236999       0.06258562      -0.41469832       0.23212870
Cl       0.40661990       8.52072999       1.73194995       0.27420824       0.67032732       0.93263141
Cl       9.66077996       2.82228003      11.25468313      -0.42021408      -0.29924723       0.60883613
Cl       8.36424005      10.28879999      10.55769995       0.64679986       0.57703711      -0.39638013
Cl       3.92701004       4.39907998       7.56954005      -0.48556035       0.58685679       0.23480452
Cl       3.86517997       3.05249997       3.92615996      -0.06845435      -0.12876569       0.27102980
Cl       5.84646001       2.45974005      11.43810003       0.67907552      -0.82758612       0.54947739
Cl       3.77650995      10.20989995      10.55720000       0.42362876      -0.79972489       0.16232222
Cl       5.36471996      10.69929998       2.65821001       0.25346971       0.40949708      -0.60695176
Cl       6.37386000       3.11236002       5.42569995       0.81941289       0.27594295       0.68131592
Cl      11.45960003       6.85465999       5.68972003       0.12853494      -0.77830047       0.22030349
Cl       0.30578904       0.16610504       9.58539005      -1.91883896       0.59729807      -1.12757374
Cl       8.03025003       7.03843996       7.82049004       0.86176414      -1.61550256      -0.14899214
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.41113774 stress="-0.008079555450969167 -0.006172644751901251 5.843380734968718e-05 -0.006172644751901251 -0.014916921679999591 0.0020584990675704662 5.843380734968718e-05 0.0020584990675704662 -0.015577066932569737" free_energy=-226.41113774 pbc="T T T" config_type=melt 
Li       0.72256102       1.26286004       0.50897196       0.22065160      -0.03136176      -0.03215735
Li       6.44811002       3.73585005      10.30639995      -0.52376476      -1.15434069       0.51960497
Li       2.30878002      10.17730001       2.71488001       0.17969552       3.97434746      -0.29462643
Li       3.25253996       0.77100998       5.46275996       0.05615145      -0.27229674      -0.20725952
Li       3.62986003       2.68687003       9.34814996       1.08170020       0.25798242      -0.84782070
Li       8.60061997       7.20412002       3.59912005       0.27729736       0.62235709       0.21286660
Li       4.08504996       2.68705999       1.16663999      -0.04585786      -0.15566611       0.33150195
Li       8.01156004       3.83257005       2.74051002       0.06354306      -1.06724862       0.20582510
Li       8.87029997       7.48453000       7.92826001      -0.43654700       0.03000198       0.22586485
Li       7.15232004       9.63114996       5.16159997      -0.10954581       0.03876141       0.15899167
Li      11.43518764       9.33429997       6.28874001      -0.09320016      -0.12901803      -0.54755339
Li       1.14169005       7.47372996       1.85863999      -3.93495928      -3.17061095      -3.44971217
Li      10.81420004       9.78923000       9.96882001       0.46504811      -0.00485775      -0.37160156
Li       6.30632003       9.17518997       1.01006005       1.18994791       0.39541441      -2.29277467
Li       1.94494997       5.96626999      10.17040000       0.70014633       0.55942964      -0.17503282
Li       4.69267996       7.44055004       3.25485001      -1.19620757      -0.79071670      -0.23642040
Li       5.60761996       6.91560995       9.90486996      -0.03415507       0.29115638      -0.28821611
Li       6.59076005      11.10410004       8.19082997       0.00893218      -0.32866237      -0.57921458
Li       4.02149004       8.38659998       6.81105995      -0.28935572      -0.31634598      -0.03380385
Li       8.70710995       1.30126996       0.67785296      -0.18328222      -0.41919457       0.20216855
Li       5.92287999       5.67697003       5.97005997       0.20398466      -0.09760989       0.09005950
Li       6.34080997       1.50261001       4.20140999      -0.24997123       0.35191853      -0.01703565
Li       8.44848003       2.04698997       7.15920996      -1.57070510      -0.56150542      -0.44793929
Li       2.93809001       3.72838004       3.97177003       0.48670548      -0.25347977       0.88689296
Li       0.95029298       3.36810002       7.16661004       0.27553506      -0.58717460       0.62359877
Li       8.76262997       7.04712003      11.18549998      -0.31240065      -1.83559601       1.61550704
Li       0.29509802       4.42519996       1.87929002      -1.43356127      -0.50071175       1.98264336
Li      10.80110003       3.32660001       9.82791002       0.64291099       0.35983093       1.60408423
Li      10.13860004      10.30309996       2.36887004      -0.02865427      -1.23484025       0.12837917
Li      10.58520001       0.68018995       4.85090995       0.36908542      -0.19904271       0.44628732
Li       1.52838996       6.27819998       5.11539995      -0.12934924      -1.19583359      -1.30101950
Li       3.45727997      10.40549994      10.16179996      -0.67660392      -0.28004422       0.55244815
Cl       3.18038997       2.34482005       7.05601998       0.17147546       0.01233951       0.10190442
Cl      10.32830005      10.63140003       7.49763001       0.03102886       1.09866512       0.99451810
Cl      10.58950003      10.95209996       0.43420296       0.57952728       0.76904536      -1.12212779
Cl       1.67364996       2.68661999       9.93673997      -1.46423322      -0.38080245       0.55234984
Cl       4.22431998       5.16296995       9.93422998      -0.76512212      -0.71074924       0.04622969
Cl       4.17605995       5.86805000       4.55035001      -0.66284093      -0.27985511       0.72369996
Cl       6.79865996       3.86467004       4.71023005       0.31444437      -0.63222826       0.50478068
Cl       7.90544002       5.75724005       2.25181000      -2.35113259      -0.00617614      -1.75258094
Cl       2.33632994       4.05136997       2.02566996       1.35843227      -0.32110741      -0.42714441
Cl       7.33272001       0.43839797       6.00671999       0.33297204      -0.05021107       0.11244742
Cl       8.79119001       8.48757999       1.44664002       0.07851570       1.00238637       0.81560435
Cl       9.03637004       8.50871004       9.93605005       0.01307540       1.12808233      -2.18419155
Cl       9.06257004       8.28248001       5.91563995      -0.20009552      -0.22891365      -1.30852422
Cl       4.91582002       8.93248004      10.83200005       0.92776379      -0.14763896      -0.37859891
Cl       0.93396601       3.81764998       5.12082003      -0.28439241       0.40430900      -0.55697878
Cl       4.06600997       1.73910997       3.27209000       0.42941108      -0.58128530       1.12684190
Cl       2.28758004       8.35753998       2.84273001       3.68498326      -1.46760275       3.19716798
Cl       6.47318996       2.16098000       0.76995905       0.17740243       0.39053778       0.39878158
Cl       9.12245004       0.39403304       3.27543998      -0.97726028       0.69610257       0.28989525
Cl       2.85545995      11.38790001       0.76463103      -0.29473312       0.51803685      -0.31832434
Cl       5.95000998       8.88621995       2.83768997       0.45311004       1.10903691       3.02726849
Cl      10.44109997       6.13727005       3.21156995       2.92553850       0.03916816       0.55443863
Cl       1.88461002       8.34350999      10.49630002      -0.73456935       0.16729746      -0.37743173
Cl       1.38566999       7.71660005       6.49260002       0.69922982       0.46891491       1.38749355
Cl       6.22479994       7.76241005       7.44764001      -0.48028694      -0.43823623      -0.07962527
Cl       0.97138404      10.71410002       4.62377001      -0.07386893       0.69792400      -0.21590098
Cl       4.68369999      10.29560003       5.99220999      -0.49581778       0.28933492      -0.03137755
Cl      10.29740003       2.70511004       1.19982003       0.14779905       0.36111569      -0.34442985
Cl      10.08629999       2.81476003       7.99262002       1.02545346       0.59289223      -0.40325530
Cl       0.62644999       5.27106000       0.17681990      -1.20138366       1.82461833      -2.65350037
Cl       7.28704001       5.44727997       9.63434001       1.82800566       0.97226001      -0.26301095
Cl       6.37807003       1.57506999       9.11383005      -0.16564581       0.40769732      -0.08095513
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.80660508 stress="-0.00030306706744824823 0.0025892688335001327 0.0014427135248333792 0.0025892688335001327 -0.01831441042083642 -0.006962397987326817 0.0014427135248333792 -0.006962397987326817 -0.0064832071041040626" free_energy=-227.80660508 pbc="T T T" config_type=melt 
Li       4.01728001       3.44118996       6.57766005      -0.49699337       0.16956332       0.29914526
Li       7.39014997       3.24373998       6.64911003       0.33199322      -0.20527522      -0.08830564
Li       7.88919995      10.28150000       5.89658001       0.13160300       0.67610607      -0.03299401
Li       6.22391994       0.91978997       8.98459001       1.22935184       1.20698825       1.92795439
Li       6.05350995       9.18480999      10.22050005       0.08899604       0.11025208      -0.03630278
Li       7.37365001       6.81003000       4.84499003      -0.08381507      -0.72135798      -0.39112285
Li       4.26449002       4.72806996       3.65705995       0.14694380      -0.00096199       0.31402252
Li       4.11756999       6.03661997       9.80888000      -0.22507170      -0.67388372      -0.23347356
Li       0.11866298       5.26518994       4.77453996      -0.28547766      -2.01409987      -1.81109083
Li      10.12239998       7.71071005       7.28247000      -0.17996905       0.25586795      -0.05920618
Li       7.30050997       6.16974996       0.68403003      -0.40803984       0.56700794      -0.40605693
Li       4.59967003       8.49650001       2.86729005       0.85915820      -0.95489190       0.19942220
Li      10.50390004       4.12518996       8.76086997       0.10166851      -0.33194530       0.20652013
Li       8.27627004       0.15423400       1.87779004      -0.50106411       0.51055762       0.56304763
Li       1.08363998       2.16765003       3.81406006      -0.80301436       0.50163779      -1.18949290
Li       8.38583004       8.87529002       2.28851002      -0.15129235      -0.44400125      -0.19110681
Li       0.72607998       8.77994000       4.01636998      -0.13822977      -0.26232813       0.21760586
Li       3.43040999      11.39080002       7.18046004      -0.02442084      -0.12665530      -0.45916457
Li      10.14990003       3.34652998       0.54458804      -0.24920748      -0.26009056       0.17169054
Li       3.35106995       0.73804995       1.34086002       0.88859699      -0.53104179      -0.10804199
Li       8.66739998       3.67942000       3.49805004      -0.13700603       0.88326212      -0.39229875
Li       5.19567995       0.76319295       3.75591999       0.21466883      -0.10209328       0.78746576
Li       2.63860002       7.25051000       6.61727006       0.18966180      -2.18866283      -0.21934763
Li      11.43005325       0.86662104       7.08019998       0.23131893      -2.23738900      -3.26918230
Li       2.31677005       2.86123003       9.76280002      -0.81538665       1.08836608       1.14351444
Li       6.35356995       2.75420995       0.40552403       0.57922666       1.15034688      -0.77602514
Li      10.87989999       6.77714001       0.19714905      -0.33351163       0.04473980       0.22559481
Li       1.81580004       9.10210003       9.08440996       0.05374395      -0.32800705      -0.34862635
Li      10.51880005       1.05451005      10.17280005      -0.21248939      -0.64036675      -0.42662888
Li       9.65317995       9.54458994      10.21279995      -0.31845048       1.00263646       0.07043760
Li       2.26016998       8.61916998       0.76945004       0.17811434       0.07735099      -0.25977566
Li       1.30987998       4.38009994       1.29378998       0.42669608       0.21883999       0.20696707
Cl       7.94879999       8.16703998       6.33895998       0.09888498      -0.00444271       1.00021368
Cl       8.47888995       8.06828003      11.45660005      -0.47840574      -0.72922389       0.82768110
Cl       0.03201996       1.97811005       8.52077000       0.80027306       3.50073314       2.85560588
Cl       3.10615005       1.65292002       8.43183000       1.40961133      -1.27793902      -0.81156504
Cl       2.79816996       4.72194001       8.60266004      -0.17796749       0.70613417      -0.95258505
Cl       2.04883996       0.96818597       5.08578004       0.62671097      -1.29731379       1.14587604
Cl       5.47716998       1.53826999       1.80533006      -0.32812725      -0.32028993      -0.18733299
Cl       0.56145796      10.34950003      10.27810003       0.74106536       1.89778848       1.12843871
Cl       9.54795998      11.35819996       7.10778006      -0.37212821      -1.00515494      -0.32622912
Cl       9.26470995       1.73474999       3.69665998       0.26562381      -0.91963836       0.36592744
Cl       2.08039998       6.68455002       1.92514004       0.25332336       0.99155596      -0.03346955
Cl       8.06418006       4.30128004       1.01461997      -0.07000641      -1.58404621      -0.08985526
Cl       5.17658997       4.44123998      10.75820001       0.49603047      -0.30990912       0.52429680
Cl       2.54773998       9.22911004       6.78778001      -0.11338947       1.57229877       0.27745398
Cl       6.40920002       6.62561995       2.66727001      -0.71916604       0.64050884       0.57264215
Cl       7.51032005      10.89009999      10.56959999      -0.84383860       0.10045973      -0.21143948
Cl      10.89789994       8.00426005       9.52255995       0.00523352      -2.32069264      -1.63580166
Cl      10.06070002       8.40533995       3.57941995       0.23473355       0.17665139      -0.43098673
Cl       2.05022003       4.14381001       3.91160996      -0.00790654       0.19842515       0.37546337
Cl      10.76479999       4.78538999       2.10237001       0.06118612       0.40481461       1.21112402
Cl       3.83843999       8.10939002      10.22439997       0.04004909       1.06077310       0.25527052
Cl       4.45855001       5.67645001       5.81011996      -0.00615228       0.87956158      -0.07175004
Cl       7.02397995      10.33830000       3.34664003      -0.40887253      -0.11105020       0.29227838
Cl       1.91016998       2.11552997       1.22202003      -1.12454285       0.89428883      -0.47744107
Cl       9.87614999       0.81790095       0.69909203       0.78347708       0.62255704      -0.07469468
Cl       5.68868996      11.38450005       7.45182998      -0.30431521      -1.67390055      -2.31720499
Cl       5.61913996       2.80685002       5.01423995       0.13709984      -0.38060852       0.04816759
Cl       0.27008697       6.85116006       5.83674002       0.71662872       1.95145349       1.62517509
Cl       0.46273297       5.14220000      10.66219996      -0.43312953      -1.06586508      -0.56680732
Cl       8.71782000       4.88628998       5.49385005       0.02462112      -0.11940798       0.18465773
Cl       3.54289005      10.15599995       2.19171000      -0.73497607       0.01290294      -0.14291744
Cl       8.42506997       2.29893002       8.91769995      -0.85993060       1.06810431       0.00466351
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.24325026 stress="-0.012732867821909489 -0.0031640760414221617 -0.0035762363060440933 -0.0031640760414221617 -0.012932661262810008 0.00203892459644609 -0.0035762363060440933 0.00203892459644609 -0.00924589820353469" free_energy=-228.24325026 pbc="T T T" config_type=melt 
Li       9.88560000       1.53048999       2.19624997       0.56193379       0.14004026      -0.15737197
Li       0.84216900       4.76317004       3.70966002       0.03842255       0.40700055      -1.15567825
Li       0.21301985       0.59329896       6.20328997       0.15236819       0.16337743       0.28986302
Li       9.13659995      11.15010000       8.58513001      -0.02039500      -0.34471275       1.02404606
Li       5.40577996       9.39903004       9.81539997       0.50002840       0.19955832      -0.06897902
Li       3.20034000       5.86276004       5.94801003      -0.05590169      -1.24960476       0.11716041
Li       3.57874998       4.44211998       1.49649003       0.03220131       0.01401559       0.61959775
Li       2.23555995       8.19017995       3.22156004      -0.86589633      -1.55930357       0.20512637
Li      10.24390002       9.23843004       4.52722002       0.56015739       0.38070401       0.67151040
Li      10.31139998       5.60914001       6.48069001       0.82141243       0.30345380      -0.02564190
Li       3.99793003      10.47050000       5.40597004      -0.12508470      -0.10288867       0.61953136
Li       7.59957004       0.58522204       5.40000999       0.72240229      -0.44270012       0.53525299
Li       1.50824997       3.82337994       7.96330001       0.33861796       0.46376676      -0.04418857
Li       2.19956005       0.75179000       3.10946001      -0.66190891      -0.55470300      -0.05730162
Li       8.23459004       2.46203004      10.85699998       0.27347681      -0.33013763      -0.80259528
Li       3.81119995       9.85829999       1.10258000       0.19811639       0.33908193      -0.02124317
Li       0.83384295       2.23054995      11.23380002      -0.89967051       1.09123322      -1.09091995
Li       2.50096996       0.50340296       9.19927001      -0.80965016       0.09231729      -0.68462214
Li       2.32763005       6.74059005      10.71569997       0.02965787       0.30668350       0.11740434
Li       0.06379471       9.77409004      11.15770002       0.49299548      -0.01092531       0.38200533
Li       7.87568998       4.47368000       3.57825002       0.54707550      -0.31384985      -0.02147676
Li       6.07451997       1.18970005       2.77611005       0.51364336       0.16385660       0.34080859
Li       9.70112999       7.32384000       2.34334998       0.09352096      -0.64033701       0.70325789
Li       6.56639995       6.77516999       0.84993203      -0.01632446       0.26595535      -1.48261875
Li       6.45805001       4.21143000       6.28218004       0.03269686       0.06910545      -0.02765166
Li       1.29462997       8.39015998       7.78958005      -0.02508493       0.37674915      -0.22297108
Li       8.27552005       9.94970000       0.86204496      -0.10244043      -0.17300187      -0.38216271
Li       8.99686998       7.73153996       9.32923998      -0.68053735      -0.66748907       0.40583409
Li       4.69144996       1.56504001      11.44483220      -0.15264243       0.40602244       0.05870977
Li       5.03475998       4.49584996       9.96206996      -2.58153923       2.18997675      -2.05969551
Li       7.45428998       7.85679994       6.25823001       0.15794431      -0.08264341       0.28446055
Li       6.11065996       8.65272994       2.95835003       0.09936330      -0.02727641       0.02657297
Cl       2.43690000       9.30742999      10.97090001      -1.93977234      -2.63637352       0.10314329
Cl       3.49965000       9.74544000       3.45646004       0.50816039       1.33616117      -1.86478520
Cl       6.84076000       6.20329995       2.75818003      -0.50380143      -0.15965551       1.20547121
Cl       2.72842999       3.54852004      11.07240004      -0.55579956      -0.55082447      -0.65776930
Cl       6.99428999       2.53775998       4.81823997      -0.06851776       0.66453384      -0.26159829
Cl       8.33454997       5.65567995       5.69593998      -1.26228264      -1.06281411      -0.17404644
Cl      10.59710005       8.93241997       9.33754000       1.58570258       1.46534462       0.17326788
Cl       0.36615306       7.77184000       1.97014995       0.48700983       0.57446472       0.34505309
Cl       4.45592997       5.87869000      11.42910000       0.36361194       1.88589879       0.60635226
Cl       9.58897998      11.26765909       6.54361997      -0.56739784       0.56294355      -0.87801353
Cl       4.46392997       4.42738998       7.27302997       0.05840514      -0.00884934       0.35356609
Cl       9.63742000       8.14273995       6.56445996       1.21764877      -0.24126009      -0.35616432
Cl       6.17493995       3.20820002      10.54110002       2.27398951      -2.60632822       0.67001171
Cl       3.13315003       5.70972004       3.59729001      -0.08165907      -0.89616838      -1.49034529
Cl       6.16577999       9.05795005       0.55033898      -1.08748440       0.14195767       1.05693491
Cl       7.84354998       1.99808003       1.35533998      -1.17237037      -0.36437288       2.54263376
Cl       0.51965002       1.88901001       8.28323000       0.14780439       0.05633753       0.58467642
Cl      10.07890003       1.08847000      11.21614205       0.80739363      -0.33982549      -0.50630359
Cl       8.42462998       9.01648994       3.48963996       0.48766480      -0.30169282      -0.79118954
Cl       1.01382997       4.31130005       5.71508005      -0.58030587      -0.04629719       1.25104761
Cl       7.28166005      11.09860005       9.84696996       0.49795124       0.53511351      -0.00742840
Cl      10.43749996       4.65102003       2.31189005      -0.22326681      -0.40793274       0.44586270
Cl       2.99348999       7.84042001       5.56824005      -0.38765344       1.47564297       1.43928479
Cl       1.45733997       6.30276003       8.64806994      -0.10294830      -0.45018791       0.01049560
Cl       1.56670003       0.88434402       0.97385804       0.21447875      -1.87446459       0.68187457
Cl       4.10773995      11.19850002      10.33500001       1.61489216       1.91988721      -0.34562762
Cl       2.00917997      10.78129996       6.96642995       0.58581540      -0.25085186       0.17431497
Cl       6.29122994      10.77820002       4.21693997      -0.85278325       0.28762704       0.47746354
Cl       8.90567002       7.58451996       0.46650999      -0.36914259       0.04734446      -1.61373657
Cl       0.19781994       0.32312005       3.96220997      -0.63739813      -0.04593528      -0.16889488
Cl       7.00167000       8.13872000       8.68919002      -0.96204052      -0.62671766      -0.81752958
Cl       3.98022001       1.68223006       2.62990998       1.33513675       1.04397002      -0.28404545
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.92933793 stress="-0.013114733767309757 0.005752387202728055 0.000892778112868591 0.005752387202728055 -0.017416177097920118 0.000407166913766515 0.000892778112868591 0.000407166913766515 -0.009062073669974252" free_energy=-226.92933793 pbc="T T T" config_type=melt 
Li       0.29993801       4.52174995       2.35478996       0.23521085       0.85192748       0.14547174
Li       7.94075997       5.15028002      10.48449995      -0.19977475       1.84625982      -0.10871683
Li       4.96830005       7.05508002      10.80150002      -1.33489311      -0.70508696       0.09174451
Li       8.15841002       1.74579995       4.47917998      -0.42712734       0.31005530       0.16567158
Li       2.74455003       6.44382994       5.16410996      -0.60475684       1.91898468      -1.16461459
Li       2.46674003       5.25966003       8.06213001       0.69653125      -0.14415261       0.14509043
Li       4.80395994      10.64240000      10.70839998      -0.49578211       0.09701959       0.30267748
Li       6.55477998       1.72805003       0.97763597       0.21003833       0.47374815       0.11807421
Li       7.66302002       9.94315000       9.92266000       0.86006698       0.17159870      -0.41639443
Li       2.30856002       0.91425295       2.29497003       0.92394514      -0.40694901       0.23627983
Li       9.98737999       1.57037995       0.96867996       1.53905680       0.89567387      -2.13940960
Li       8.06355995      10.04929994       5.88445997       0.85342498      -0.55274323       0.43535558
Li       4.21113996       4.54060995       1.34565003       0.25826739       0.26452116      -0.20237958
Li       0.68476099       2.36210004       6.64745998      -0.17245191       0.96631494       0.17390537
Li       0.16293895       0.04550276       8.94129997       0.12654835      -0.02523118       0.11626129
Li       4.72194999       0.63229701       8.04525998      -1.59870638       0.78711905      -1.32271486
Li       7.64551005       4.87260003       2.43262004       0.41547650       0.51523942      -0.70093091
Li      10.29829998       7.61431001       7.62997996      -0.18304241       0.18990014      -0.32386830
Li       4.73859005       0.00552120       4.00406995      -0.57437281      -0.39877573      -0.55202782
Li       0.16117803      10.55170001       4.98793000       0.25849874      -0.16964517       0.15051680
Li       2.52298000       9.23162003       7.88130002       0.40804067      -0.93515785      -1.08649599
Li       4.47703995       3.29316994       5.09397998       0.39603973      -0.88365477      -0.66719874
Li       6.28096998       8.21191003       2.98426996       0.10005717      -0.27302533       0.16890105
Li      10.78040001       8.09186996      11.02840002       1.88406545      -1.77094073      -2.47652005
Li       5.80720001       8.00022003       7.67220004      -0.25402405      -0.18938461      -1.05087935
Li      10.03190003       7.45735003       2.37165999       0.74831623      -0.66252695       0.60727761
Li       2.06927997       2.56357995      10.90390000       2.31588409       0.10453167       1.44387057
Li       2.85800995       8.57709000       2.52030997      -0.01019539      -0.12516488       0.00422346
Li       7.35319005       4.90997003       7.13730998      -0.30329095      -1.42488597      -0.49220458
Li      10.49630002       4.63743004       8.48229003       1.03420456      -2.14939515      -1.14405707
Li       8.81191995      10.34319995       2.68305999       0.19349234      -0.10037390      -0.01936887
Li       8.46159001       1.89499001       8.45443000      -0.26236356      -0.48499585       0.90279988
Cl       9.95637003       6.22583998       9.43486004      -0.37064670       2.03022313       1.72826555
Cl       4.11399004       1.92103995       3.36727001      -0.63805861       0.19887069      -0.30252435
Cl       6.85562998       3.09989995       3.19285004      -0.22058444       0.66310862      -0.20367167
Cl       0.67816903       5.02128005       6.80944005      -1.65020296       0.21549691       0.47989088
Cl       3.26122003       4.71599005       5.76332999       0.48159278      -2.52416063       0.00216704
Cl       9.22418005       9.58966004       8.00661997      -0.79183598       0.22443008       0.09726907
Cl       6.27093003       5.97693005       0.48419502       1.53997370      -0.81805536       0.81128079
Cl       9.91807005       5.37714001       1.70519003      -1.37012099      -0.58894994      -0.01146275
Cl       3.80938997       7.17444003       6.94121003       0.07574017       1.95647672       1.21285595
Cl       1.09074004       6.88700003       2.17843001       0.30115371       0.43666655       0.21282911
Cl       6.21431001       0.12282199       9.23668002       1.65237512      -0.07386611       0.40734269
Cl       2.44383004       1.21525003       6.91225997       0.38763105      -0.44797097       0.02778418
Cl       5.00050001       9.74790001       2.08980000       0.14551606       1.14469907      -0.74913283
Cl       9.52960005      11.46377474       4.82935997       0.88729647       0.09939619       0.68846911
Cl       4.49733000       1.58773997      11.44790761      -0.64412902      -0.04157778       0.22850551
Cl       9.70280996       8.82719003       0.85496898      -2.24293439       2.50775291       1.18894456
Cl       8.59252998       1.01236999       2.16198003      -1.43202822      -1.15431306       0.42478560
Cl       1.20651998       2.64225002       2.03150001      -0.73539952       0.16513885      -0.73527319
Cl       7.64167995       6.91537997       7.20751001       0.23743558       0.48624652      -0.50930317
Cl       0.58168198       9.33925999       6.95533998      -0.00605846      -0.22079074      -0.47822173
Cl       4.41332996       6.84005002       2.72529004      -0.41929747      -0.83542450       0.85404122
Cl       9.61974002       0.36444098      10.16820001       0.18027505       0.02459084       0.25435077
Cl       0.56796004       2.67025003       9.73883004      -1.98076586       0.05060123      -1.76979245
Cl       2.03009002      10.60450001       3.58160997      -0.35826425      -0.51219958       0.09523542
Cl       8.23161002       3.29561000      11.02229999       0.09449547      -2.02042318       0.09915957
Cl       6.18185005      10.78059995       5.31963003      -0.17656327      -0.15836992       0.68763042
Cl       2.57847996      10.40509995       9.52888996       0.21229969       0.63032722       1.43670238
Cl       8.75988003       8.44577997       3.85857001      -0.91909292      -0.38619962       0.65023567
Cl       6.20487995       3.06832996       6.25862003       0.42074385      -0.40739798       1.15736208
Cl       6.01295002       8.40334998       9.68423003       0.17277378       1.02986522       0.75607694
Cl       3.71520999       4.86175000      10.27880004      -0.55052724       0.25854140      -0.02428974
Cl       9.20973001       3.30923002       7.01340003       0.68082386       0.07646311      -0.05785244
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.84167693 stress="-0.021256500249638398 -0.004143737646530512 -0.0015445614409005364 -0.004143737646530512 -0.01571758160309813 0.0008950627236614837 -0.0015445614409005364 0.0008950627236614837 -0.014994976769792097" free_energy=-224.84167693 pbc="T T T" config_type=melt 
Li       6.06680004       4.61353997       5.15024001       0.97147665       1.60091285      -1.04096847
Li       0.84183195       3.66997996       0.30375699       0.16319746       0.25916100      -0.53487412
Li       6.87316001       7.95478996       7.42270005      -0.02469715      -0.57980049      -0.06038661
Li       8.39616004       7.51839996       3.00723005       0.16991366      -0.53794966       0.16530759
Li       8.22441997       2.99734004       1.86596005      -0.20754426       0.37807332      -0.65263084
Li       3.25412994       6.17992004      10.22350002      -0.11949107       0.72508105      -0.05497595
Li       8.01505997       3.29162995       8.50994004      -0.50071124       1.21939373       0.25186402
Li       3.26722995       8.82047999       8.72745997       0.20385757       0.20812093      -1.78356926
Li       0.65868904       8.13857005      11.45520004       0.36374493       0.39956209      -0.08884310
Li       5.35434994       3.12072000       0.01149271       0.21531974       1.48545106      -1.60810190
Li      10.49909994       2.96604004       3.94598996      -0.97385814       0.22701822       0.96457112
Li       3.39412004       4.01668995       2.86840002       1.04568511      -0.52608277      -3.49387695
Li       3.33447999      10.27469996       2.11893005      -1.74871907      -0.34340784      -0.26444279
Li       3.58393000       2.38184004       5.46440004      -1.13982544      -0.44661295      -0.31806093
Li      10.48170003       0.44626201       0.88517598       0.45726745       0.69797724       1.85416275
Li       8.65235002       5.91135999      10.56819997      -0.42853216      -0.24734309      -0.15095711
Li       0.56552296       5.41214000       8.48521996      -1.18528838       0.40353269      -0.62186246
Li       9.75564998       6.63276002       6.02372002      -0.57313022      -0.33844943       0.07435750
Li       0.25735497       5.73035999       2.50712995      -0.33987430       0.56885825       1.15636161
Li       6.14854001       6.05173998       1.73081006      -0.56111466       0.04407675       0.09553771
Li       5.41434997       0.69287197       8.06128005      -0.11205157      -0.89066727      -0.70468615
Li       6.64208002       0.38750505       2.90903000       0.14074137       0.56638989      -0.32036161
Li       8.38479000      10.32040002       9.25435002       1.29055120       0.52577181       0.17467025
Li       8.76783005       0.28494996       6.07977003       2.02001763       0.72270008       1.83805119
Li       5.24899997       9.59775004       5.06413995       1.08542615      -0.43874482      -1.84475365
Li       2.60554002       1.00388000      11.35390005       0.05305992      -0.02072377      -0.37091561
Li      11.12820002       8.82736005       7.71733995       2.42909886       1.25684071      -1.09559701
Li       0.08174788       9.25821005       4.55528996       0.35028383      -0.14835967       0.23425154
Li      10.79310003       1.54244999       8.71892997       0.19933301      -0.18599874       0.07994459
Li       4.65305001       4.28555001       8.08122996       0.31779010      -0.17939171       0.18378817
Li       5.66585002       9.00228994      11.34700005       2.10631024      -0.16307692       0.94123000
Li       3.16111003       6.76343000       4.99184998      -0.74288945       0.10586697      -0.45373943
Cl       5.62663003       2.38503995       9.25434005      -0.45433402      -0.20141398       0.85401502
Cl       5.32930003       3.04887003       6.14508995       1.07785917      -1.15532455       1.25970762
Cl       0.36526905       6.05833997       0.48129799      -0.35753363      -0.14395580      -1.53908217
Cl       9.58026999       7.93446001       8.29347001      -2.71139818      -1.32320051       1.55823284
Cl      10.65449998       7.75196002       3.31745003      -0.92066728      -0.06133242      -1.18446829
Cl       7.39242002      11.32209997       4.87297995      -2.13664454      -0.93037265      -1.12974057
Cl       0.33066297       7.34072998       6.04913003       1.58044776       0.12946572       0.28693185
Cl       5.26828003       1.74556000       1.36939003      -0.31954069      -1.93707245       1.15653947
Cl       8.56643005       4.78587997       3.02833005       1.49319298       0.85979155       0.42612485
Cl       4.38843998      10.56789995       6.50628998      -1.36492601       2.95328730       2.13998180
Cl       3.01438995       4.46263003       4.63703005      -1.37817362       0.74865063       2.71193293
Cl       8.78958994       1.38637000       8.35925996      -1.13498414      -1.45525365      -1.37903284
Cl       1.61437997       7.60583997       9.27735998      -1.45876843       1.14471628       0.55488455
Cl       6.59460999       9.32954997       9.07437997      -0.45706040       0.28742615       0.08171897
Cl       4.64196004       7.80157994       6.06910000      -0.31427799      -1.33147411       0.61629675
Cl      10.03719997       4.43638004       6.64954005       0.34029007      -0.58956259       0.40878754
Cl      10.22149997      11.24459995      10.54220002      -0.46655330      -1.54974571      -1.41196117
Cl       9.42432001       1.39542999       2.73810000      -0.36654826      -0.94494678      -0.07125407
Cl       7.15189999       7.40953997       0.66261601       1.09683518       0.86706719      -0.52447200
Cl       8.72815998       3.53782995      10.91889998       0.25763187       0.35738156       0.34008433
Cl       3.96306004       9.33737996      10.54070003      -2.21367881       0.97708047       0.85251966
Cl       3.48345005       4.54493004       0.03787466      -0.02281362      -0.84084601       1.18774068
Cl       6.66852995       5.21399998       8.79207999       0.10525562       1.08558333       0.07241444
Cl       1.37340000       0.14767701       1.53924996       0.29404126      -0.10332364       0.13945874
Cl       5.82035000       4.36670003       2.71550000      -1.74563999      -0.84919031       0.99765985
Cl       2.58523001       5.12246997       8.46339002       1.43555857      -1.69954576      -1.23931980
Cl      10.74130006      10.64979997       6.06728005       0.19510055       0.35091209       0.37103633
Cl       5.30258998      10.24540001       2.42004005       1.42876374      -0.99370135       0.29847598
Cl       1.23047998       1.63776000       9.48254996       1.44751107       0.58506915       0.72552358
Cl       7.41268004       6.69010996       5.71523998       0.74660706      -0.14517396      -1.01913158
Cl       2.69760002       8.07436997       2.62263005      -0.13558989      -0.22332361       0.23734206
Cl       0.20173396       3.55601000       2.37990005       1.53469010      -0.21585109      -0.32944141
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.01040477 stress="-0.01321111427117886 0.0035765288830258784 0.0062452575952604995 0.0035765288830258784 -0.00945182558115131 0.005769282025463943 0.0062452575952604995 0.005769282025463943 -0.012601093067953475" free_energy=-227.01040477 pbc="T T T" config_type=melt 
Li       0.77064805       9.24890999       1.11874005       0.21871416      -0.03570898      -0.92127520
Li      11.43806621      10.16590004       6.46548001       0.73966256       1.45926843      -0.27951602
Li       2.37637995       4.81207000      10.27710000       0.05332744       0.69224141      -0.21348939
Li       9.28328002       1.40214004      11.20220000      -0.07238105       0.01664297       0.16590485
Li       4.29869003       5.79114005       3.05817994       0.28525802       0.07722759       0.10298049
Li       9.37678005       7.92117004       7.11715004       0.26759650      -0.20336081      -0.77766988
Li       1.65071005       2.57208002       1.67104000      -1.82229667       0.02542408       1.89854931
Li       4.12847000       4.16429003       7.20456002       0.06713037       0.22373236       2.08900183
Li      11.09060005       6.25449999       1.93617005      -0.96674793       0.55656529      -1.24164749
Li       7.58257001       3.81456999       7.76032000       0.81194120       0.26764013      -0.43536641
Li       7.26474004       6.60598003       0.97912003       0.43790313       0.35330203       0.00916658
Li       3.89563999       7.99724001       0.68714396       0.17061486      -0.15928505       0.23719209
Li       9.55780000       8.91899003      10.44399997      -0.12125028      -0.43588842      -0.15543620
Li       5.92850998       3.74457998      11.12099999       0.30724504       0.12594242       0.02718543
Li       6.44030995       7.01138999       9.25941001      -0.76033675      -0.12737055       0.22660136
Li       5.68881997       9.01457002       4.22097998      -0.33079276       0.83544648       0.04124143
Li       2.08158997       8.11896005       9.33943998       0.11031835       0.31018207      -0.59173952
Li       1.03500002       5.36193001       5.77468995       0.04849725      -0.51605086      -0.00817704
Li      11.27189995       2.71580002       8.06165998      -0.48948012       0.45644772      -0.60927302
Li       3.85579004       0.93934000      11.09650002       0.15612947      -0.15299060       0.29735536
Li       7.33496001       9.96728999       1.65526997       2.85369247      -1.56563313      -1.62052021
Li       9.94397004       4.46075001      10.47309999       0.03894730      -0.39974257       0.11677315
Li       2.55832002       1.91419004       4.90614004       0.84712253       0.06628298      -0.08960180
Li       9.97743003       3.33548999       3.40455001       1.25797359       0.78662926      -0.39024710
Li       3.63585997      10.06290002       7.11680004       0.10172274       0.11610829      -0.14059980
Li       6.52509002      10.90139999       8.03892000      -0.31710816      -0.32249143       1.06148515
Li       2.61777997      10.93040003       3.22179001      -0.27717556      -1.13870784      -0.31343761
Li       7.39048003       5.58373001       4.29347000       0.88733128      -0.86407987       0.10669762
Li       1.55472995       0.04849150       9.60912994       0.25349385      -0.17712722       0.19853915
Li       8.21004995       0.35271004       5.07338004       0.27114388      -1.50841451       0.46396921
Li      10.02320002       8.56152999       3.75688001      -2.21265013      -1.74792226       0.72580904
Li       6.32901002       2.52961003       2.76997001       0.40008155       0.01204839      -0.41313108
Cl       9.26177005       2.64376995       8.93421000      -0.92187093       0.55744925       0.36383846
Cl       8.60241998       6.82995996       2.86098000       3.51845854       1.35709612      -0.58089335
Cl       3.19448003       7.74528001       3.02330996      -0.45340943       0.51434459      -0.74601010
Cl       6.15021998       7.04058000       3.77036005      -2.86787028       1.20206307       1.03819261
Cl       8.56961999       2.10435001       4.24369003      -1.11995450       0.95183714      -0.26786380
Cl       0.07484868       9.43751001       3.06239995       2.62672066       1.17728127      -0.55872542
Cl       6.91317000       1.97372004       0.43422199      -0.14103818      -0.93340881      -0.28945214
Cl       5.79761003      10.65849998       2.34927002      -2.94485942       1.64282652       2.17193523
Cl       7.92372004       8.39732997       8.57461004       0.02583392       1.01865285       0.63995929
Cl       4.58930001       5.36466997      11.37627133      -1.11208337       1.29100004       0.22364120
Cl       0.07530920       8.53722996       7.64426996       0.71970139      -1.32260587       1.29432575
Cl       0.30907997       5.47187005       3.64222001       0.39979174      -0.22691830       0.82080454
Cl       3.98388995       8.07970005       7.96009998      -0.05290708      -0.63101403       0.21996934
Cl       2.46305002      10.11380005      11.14359999      -0.16174674      -0.19697115       0.61005591
Cl      10.10950003       3.15927999       0.99867201       0.61193673      -0.02062666       0.04339604
Cl       2.99005002      11.19829996       5.27871997       0.01122222      -0.41302267       1.09151745
Cl       2.44288997       3.01721005      11.45469996       0.73731917      -0.44151113      -2.50061559
Cl       0.15926304       0.75050004       8.20405998       0.32318112      -1.90588244      -0.36910188
Cl       5.86040000       4.63005002       8.73930005      -0.05309322      -0.21110572      -0.39494674
Cl       9.53779999       6.43211001      11.24379997      -0.40455191       0.62123468      -0.25621205
Cl       3.12428998       1.37587996       2.51351005       0.90963261       0.17977380       0.06075207
Cl       1.24844004       6.84827003      10.84840005       0.16075751      -0.24279797       0.65870598
Cl       9.66205995       9.90033997       5.43822995      -1.10119008       0.25312742      -0.00815589
Cl       3.89154002       4.15699003       5.29327995      -0.11947579      -0.14166180      -2.28449595
Cl       1.28387005       4.13748001       8.02778005       1.19949141       1.32083206       0.15539554
Cl       6.30032994       8.45117001       0.16764102      -0.03906817      -0.14269624      -0.55599419
Cl       6.69872996      10.63199995       6.01849002      -1.04709954      -0.17021994      -0.62125350
Cl       4.26653994      11.27299995       8.96375999       0.48111181       0.96330536      -0.09766981
Cl       8.56029001       5.92317003       6.12654006       0.23094411      -0.63413510       0.85057247
Cl      10.37000000      10.64719998       0.32947596      -0.66903423       0.06961948      -0.66570264
Cl       0.64979895       2.63824004       4.89456994      -1.25058620       0.01084720       0.01263743
Cl       6.78765001       4.81120995       2.01491005      -0.71189198      -2.52307079       0.37406948
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.27580886 stress="-0.0035483094037168966 0.0037045934093310673 -0.00366725051640449 0.0037045934093310673 -0.004358825387498752 0.005947087085344143 -0.00366725051640449 0.005947087085344143 -0.0038110403813976313" free_energy=-229.27580886 pbc="T T T" config_type=melt 
Li      11.06019999       0.13527701      11.35309996       0.09312820      -0.19077512      -0.41975176
Li       0.21507196       7.48343001       4.59900005       1.77875841       0.34185228       1.15651680
Li       5.41384004       2.38259003       3.50911995       0.52040875       1.94175481      -0.96756009
Li       0.15462196       3.45345995       0.48575301       0.76183417       0.13182594      -0.87297697
Li       3.61229996       8.24085000       5.10493994      -0.27345929      -0.41453836       0.15379943
Li       0.07512245      10.56049999       6.85359002       0.65740789       0.72515024       0.43237510
Li       2.87668996       0.88771303       2.29124999       0.09292173      -0.32076039      -0.20615436
Li       4.27629994       3.66439996       7.26859994      -1.01781875       1.10612812      -0.10948104
Li       2.33156997       1.36321995       9.03892004       0.09745769       0.11503660       0.34285011
Li       6.45378999       5.79845001       8.97682995      -0.31265049      -0.28889990       0.33859710
Li       6.61706003      10.19950001       3.70531998      -0.71080199      -0.32559406       0.39247759
Li       2.46006999       5.07978995       3.20425001       0.44325644       0.23683610       0.02771256
Li       9.81363997       7.48255998       8.97249004       0.37595605       0.15681917      -0.19519148
Li       4.62913999       3.42535997       0.65458196       0.11100100      -0.87829840      -0.68906911
Li       6.57474996       1.35241005       9.79547998       0.31954342       0.11097323      -0.26672043
Li       4.36856000       0.33731305       6.60824996       0.28766465       0.10054777       0.01491121
Li       3.00738000       5.82935003      10.67910003      -0.67330539       0.25614087      -0.25443081
Li       9.61776002       5.58690997       5.45653004      -0.99648037       0.21826814       0.12576368
Li       4.46184003      10.35540001       9.89816003      -1.88831160      -0.85763717      -0.39563803
Li       2.79620005       8.93879996       1.50424000      -0.05587322       0.04690296      -0.38883888
Li       8.52046001       3.34240994       0.93359904       0.38847081       0.26983357       0.07205184
Li       9.75032000       3.56401998       8.93400995       0.68073034      -2.57910027       0.95798500
Li       9.16476000       7.08193005       1.72726003      -0.72493078       0.22744724      -0.25778793
Li       0.01298914       2.58174006       4.38486003       0.37115666       0.11831187       1.01272956
Li       8.10679003       9.72588997       7.29500000      -0.08393247       0.53914047      -0.03939080
Li       7.14403997      10.92399998       0.99259904      -1.06421079       0.48776190      -0.79306440
Li       1.17221003       5.14637999       7.38046999       0.21054697       0.26996830      -0.00176414
Li       5.86554999       6.42508000       1.04692998      -0.61098554       0.76753297       0.76918898
Li       1.93745004       8.29589001       8.88088998      -0.40769162       0.27806587      -0.33273160
Li       6.63290997       7.07869002       5.94036003      -0.54661293      -0.09280723      -0.61980038
Li      10.58279996      10.59909999       3.11214002       0.36624724       0.29766602       0.36880666
Li       7.54269999       2.11587000       5.96262000      -0.45757600      -0.21582450       0.54061003
Cl       0.07727739       4.93274004       5.25597003       1.37273490      -1.26696138       0.24289514
Cl       4.51205002      10.45049999       1.66369002      -0.12080222       0.14552883       0.16069544
Cl       6.86211005       7.64756995       3.12335999      -0.69913621       0.05658310       0.54390475
Cl       1.85327998       7.51775005       6.52277997      -0.10014173       0.07804263       0.45068907
Cl       4.22761000       5.42624004       5.98116003       0.53819392       0.72793152      -0.28175908
Cl       7.23612003       7.69750996       8.03026998       0.00575984      -0.00850016       0.21298979
Cl       3.12525997      10.32169995       7.83892002      -0.26886899       0.94688696       0.43913110
Cl       0.70594801      10.59509999       1.55805998       0.44237377       0.05082914       0.33171496
Cl       0.04313986       9.60758995       9.81398000      -0.28171897       0.12221253      -0.05043475
Cl       8.47008000      10.39240005       2.48965002       0.87593428       0.19419983       0.35157746
Cl       5.47962999       2.18929998       7.86631999       0.85266690      -1.58658618       0.26308900
Cl       3.50699998       8.11269001      10.39739997       0.31080547       0.13373893       0.55227602
Cl       2.20789000       7.48892999       3.18808996       0.04890911       0.09935630       0.13501718
Cl       6.35325995      10.62109994      10.33369996       1.95516870       0.12610960       0.09757148
Cl      10.00959994       2.22107002      10.73939997       0.04032807       0.12740981       0.23522533
Cl       0.60130103       5.67264995      10.22540000       0.02983344      -0.02416045      -0.06068187
Cl       8.50787005       0.92227703       8.09040998       0.20064388       0.11459945      -0.67895768
Cl       0.48247503       0.50016797       5.16544004      -0.21751932      -0.15938164      -0.33731133
Cl       3.47850998       3.07058005       2.56528996      -0.59380285      -0.99535884       1.48057239
Cl      10.43569995       8.83961995       6.77197994      -1.55649825      -0.92898128      -0.31784547
Cl      10.94380005       2.75955001       2.40304002      -0.63734243       0.13040552      -0.41350730
Cl       2.38216001       2.43509999      11.22260000      -0.44966926      -0.86592123      -0.43530163
Cl       4.64109999       4.58465996       9.98525004       1.41912065      -0.26212025      -2.16394232
Cl       6.03274000      10.24629996       6.05989006       1.15060766      -1.75045541       0.51075880
Cl       2.05893002       3.06967002       7.69089003      -0.31687686      -0.12384637      -0.30511830
Cl       4.01138003       5.35724995       1.08279002      -0.68719030       2.31582899       1.82141626
Cl       4.98502999       0.76984704       4.45537005      -0.96300280      -0.98371881       0.16669630
Cl       6.75345000       2.10838005       0.78937197      -0.55606771      -0.28976800      -0.01011665
Cl       7.75107004       5.85924005       0.48612801       1.42753030      -0.84712921      -0.96587218
Cl       9.32344994       5.25095005       8.18304997      -0.72831238       2.06781957      -1.44669006
Cl      10.05890002       6.94191004       3.60278002      -1.22018999       0.03682501      -0.56813739
Cl       6.81064002       3.77769995       4.59352001       0.99468019       0.03885244       0.14343210
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.56380099 stress="-0.017518120240692006 0.00659682068929613 -0.001187642863650005 0.00659682068929613 -0.014419915120509042 -0.005960641109112857 -0.001187642863650005 -0.005960641109112857 -0.004294421664051285" free_energy=-226.56380099 pbc="T T T" config_type=melt 
Li       9.07116997       7.11536998       5.63071006       0.07493271      -0.14270981       0.07940441
Li       0.18492904       9.57234004       7.18359999      -0.93652903       0.05906081       0.18542291
Li       1.62690997       5.59784999       2.85091998       0.76154078      -0.56185617       0.34289900
Li       1.44431999      11.34460000      10.47770003       0.02422139      -0.28974509       0.23332978
Li       5.20524001       1.42717997       4.04964998       1.00891516       0.06928952      -0.69372226
Li       3.54146997       8.82452000       9.54073003       0.14323407      -0.70694408       0.06027631
Li      11.45221875       9.46587998       3.02355002      -1.14933063      -0.32899801      -0.11605975
Li       3.29578002       3.53648003       5.16740995      -0.00275732       0.42886130       0.10079873
Li       9.40514004       5.22239998       8.95215000      -0.97041744       0.02701845      -0.41036332
Li       8.66624002       1.58170001       8.32797004      -0.04192970       0.17150778       0.01465600
Li       2.88805003       0.22888194       6.66552000      -0.03393230       0.34718553       0.25002053
Li       6.50393005       7.24998000       9.91188003       0.97416973      -0.11241798       0.59818581
Li       6.37209003      10.32499994       7.52326998       0.39082593      -0.30394572       0.14504332
Li       7.20139003       3.05212004       0.20756996      -0.08187768      -0.42750135      -0.18374416
Li       1.11665997       3.12270997       8.36433004      -1.11471938       0.40731264       0.16790573
Li       6.20556001      11.07189997       0.05541397      -0.22094323       0.00924488       0.07788599
Li       2.88691002       8.17644001       1.73417001       0.28403414      -0.29207775      -0.42335299
Li      10.75080005       2.60259003       5.17785001       2.60015818      -1.85836703       1.25965379
Li       5.51190996       5.90063000       4.11387998      -0.02885387       1.72998424      -0.12622968
Li       0.81043702       6.18761005       6.96109998       3.30013313       1.57591660       0.31032201
Li       5.17632996       2.34018997       8.96731999       0.03705392       0.26300848       0.11154683
Li       7.08732996       3.21039005       5.77628005       0.66298969       0.16275552       0.69163896
Li       9.32364002       1.61964002       2.68033997      -0.01805069      -0.32003343       0.00240190
Li       9.02003000       5.25536001       2.80681001       0.40803133       0.17550419      -0.09475884
Li       9.68907002       8.16373002      11.15010000       1.00960012       3.19305877       0.19272710
Li       1.88154998       0.35044195       3.17805000       1.45180525      -0.45046307      -0.18425842
Li       4.35850995       5.26943001       0.67859298      -0.46315600       0.02729649      -0.39926690
Li       0.76712004       6.72258999      10.28210004      -0.57279052       0.04144110       0.06772106
Li       6.55489004       9.83492994       3.33319003       1.14858812      -0.72101093      -0.96105090
Li       0.25469400       3.29028003       0.32539101      -0.04042985       4.27248882       2.87801294
Li       3.46204005       8.62778997       5.08852997       0.81213972       2.04555098       0.31620982
Li       9.78862996       0.33577902      10.83570003       0.81264858      -0.11093827      -0.40266262
Cl      11.39752978       6.65069004       2.53546999      -1.44680957       0.66982252      -0.24257568
Cl      10.53109996       5.81842996       7.03613002      -5.16803831       0.21164670      -1.21847866
Cl       3.27508997       1.47923996       4.84811003      -1.26524027      -0.77731149      -0.27685063
Cl       2.29559999       9.48795995       6.61346002      -0.19126671       0.39649065       1.05096185
Cl       0.29346803       1.85740001      10.75260005       0.20788239      -4.41362889      -2.75658999
Cl       7.42122001       4.11122004       8.10789003       0.23872316       0.31660675       0.28902176
Cl       2.59437002       7.21497004      11.19789998      -1.00958775      -0.73074345      -0.08294192
Cl       5.47528996       7.96480997       8.24955001      -0.80631708       0.83208972      -1.14338315
Cl       3.93365004      10.57369996      10.78999997      -0.08582567       0.79047055       0.07811676
Cl      10.63280004      10.64490002       0.87258304       0.05826818      -0.71798243       1.56465292
Cl       2.27226995       3.96475997       1.48318998      -0.10965687       0.18391827       0.35679611
Cl       3.14994004       6.93241005       4.28547997       0.84924739      -2.35280234      -2.05485530
Cl       0.18779396       1.31185000       3.46151006      -1.89648645       0.87280959       0.31934297
Cl       6.63913003       1.33928001       7.15247997      -0.36163331      -0.94936864       0.07143890
Cl      11.37419997       4.80851998       9.51393996       1.83980656      -0.87575782       1.26339945
Cl       9.29827003       3.65111996       4.65662996      -2.87023827       1.61908631      -0.76840040
Cl       5.56060002      10.81769997       4.74045998      -0.84781216      -0.70375074       1.68816239
Cl       2.88827003       2.08891003       8.18916994       1.47710080      -0.90154388       0.04553308
Cl       5.20327996       7.49411999       0.23192800       2.10510558      -0.07754413       1.25847583
Cl       7.81684005       0.85137905      10.61280003      -0.97396367       1.37378132      -0.73632014
Cl       0.35505105       8.99605005      10.04940003       0.20314341       0.26065186      -1.35207626
Cl       9.89550995       9.01384995       4.92136999       0.92587640       0.84293096       0.37672682
Cl       5.40114003       3.92639005       4.54512997       0.28061814      -1.06161484      -0.20205085
Cl       2.10458995       4.96602004       6.11820999       0.30477699      -1.38279970       0.26881761
Cl       6.90473000       0.81261500       2.23198000      -0.08676310      -0.39988395       0.24576065
Cl       9.03377005       3.38658995       1.36209003       0.51708150       0.62199393      -0.20595839
Cl       8.48141003       9.53508995       9.37143002      -0.29022335      -0.04506260      -0.37037781
Cl       9.00253000       6.45824994      10.76260000      -1.65616454      -2.41342591      -0.04605411
Cl       2.12079999       9.56821003       3.19533997       0.39348625       1.07835492      -0.02461291
Cl       7.39550998       7.37079002       3.91496005      -0.58214220      -0.65583393      -0.23485929
Cl      10.97789998       1.42352998       7.60468999      -0.41744320      -0.01917212      -0.63246573
Cl       4.98914005       3.14023003       0.06752358       0.43519148       0.02809539      -0.61894895
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.78772473 stress="-0.009861965662755975 0.004057632869935335 -0.004162867316507032 0.004057632869935335 -0.010237719797589997 -0.005081264583635598 -0.004162867316507032 -0.005081264583635598 -0.014051738876802864" free_energy=-226.78772473 pbc="T T T" config_type=melt 
Li       2.55422005      10.64169999       5.74438997      -0.10982491      -1.18027912      -1.63775804
Li       4.95364997       8.40285002      10.38979995       0.41819825      -0.35442544       0.10130493
Li       3.17554001       5.97476995       1.66778999       0.27588374      -0.67742295      -0.19902540
Li       5.28087996      11.33350005       7.85950998      -0.18429702      -0.30292397       0.02863985
Li       5.33338005       2.77283997       2.71005000      -0.05237280       0.68743141       0.40357207
Li       0.37056096       0.95910202       3.79942006      -1.15974953       1.08056506       0.81689357
Li       1.68874005       8.42304997       3.12507998       0.01155714       0.62861174      -0.60096820
Li       6.29710997       3.16933004       6.68007998      -0.05348680      -0.05610917      -0.39457534
Li       5.95012003      11.20415512       0.29161598       0.19963226       0.01664294      -0.28675580
Li       9.98733998       1.68918005       6.73813005      -0.01145922       0.88433283       0.58540031
Li       6.34400002       7.54348999       7.10067002      -3.80871080      -2.03282774      -3.85605965
Li      11.00400002       6.66525999       7.39531005       0.26107355      -0.44071998      -0.76187934
Li      10.63210004       5.06707996      10.88389999       0.67548592      -0.57538140      -0.54004272
Li       8.36849994       1.80085004       3.68072005      -0.68880223      -0.06607658      -1.43445083
Li      11.02309997       4.95868003       4.68060005      -0.19128687       0.86857075       0.10968811
Li       7.80634003       9.00155004       1.91825000       1.10354896      -0.15023311      -1.33475407
Li       6.95348999       5.81006001       4.05393005       0.35088577       0.08585890      -0.30326340
Li       2.40370999       4.96265000       9.83276996       0.10727069       0.72769009      -1.22483917
Li       9.23849000      10.01770003       4.91547999      -0.14569433      -0.80143104      -0.21715386
Li      10.75399996       7.14653998       1.92351005      -0.45370462       0.06594361      -0.23255579
Li       4.93173003       3.11592002      10.11629995      -0.10058608      -0.24646170       0.88468575
Li      10.75860000      11.09830003       0.83149804      -0.22469883      -0.74221833      -0.10742103
Li       3.43158003       6.61443001       6.12613995      -0.67127576       0.29451789       0.12312745
Li       9.08145997       1.61075004       9.68038996       0.13240419      -0.11385384       0.47118389
Li       5.76736003      10.59479997       4.80125999      -0.48085209      -0.72215270      -0.70764438
Li       2.00965998       8.94512996      10.78129996      -0.19330116       0.56622590      -0.70749657
Li       2.95915000       2.75545004       5.81560998      -0.66685071       0.58238707       1.20854187
Li       2.06307997       1.37978996       9.61654997      -0.16472419      -0.37951052       0.14282543
Li       6.66988995       5.79402996       0.06946333      -0.29856983       0.49087766       0.15508316
Li       1.15172004       3.15341005       1.42898995      -0.79280087      -0.43317165       0.39354127
Li       3.44314004       0.10717497       2.33169001       1.18301755       0.85461121      -0.68967228
Li       9.01058997       7.98777006       9.69322995       0.23230987      -0.01794295       0.53161205
Cl       5.48574997       5.52447000       2.03942997       0.11163951      -0.44495799       0.10451136
Cl       4.34055001       6.32092002      10.59530004       0.61875413      -1.36101370      -1.36842388
Cl       1.67900997      11.01560004       3.20144997       0.67820637      -2.24994417       0.78664903
Cl       4.10790996      10.16799995       9.73933000       0.02372587       0.14886182       0.28229579
Cl       3.04668998       0.12526904       7.35435001      -0.89556632       1.87624836       1.33725776
Cl      10.34789996       9.15211994       2.68913995       0.38453482      -0.06218900      -0.38449641
Cl       4.02103995       1.59875003       4.48797997       0.33837435      -0.13652607      -1.15906216
Cl       0.59873200      10.66479995      10.62780001       0.50027357      -0.04217060      -0.44165601
Cl       7.44879997       9.39812001       3.76160994      -1.23936555      -0.06224404       2.13489230
Cl       8.96605995       6.23897002      11.39878214      -0.96911934       0.09104379       0.80322570
Cl       1.73162998       5.16515000       7.33456002       0.23853943       0.05611213       0.31672835
Cl      11.04206808       2.63200003       9.53893003       0.53099566       0.44207713      -0.17388061
Cl       6.72008997       0.20071994       6.18612003       0.21840627       0.77079990       1.03680868
Cl       5.27206003       5.70156997       5.35529999      -0.30526961      -0.13086699       1.01194826
Cl       7.70211998       2.33455000       8.18237999       0.50743149       0.39664142       0.23347716
Cl      11.44838911       2.92227996       5.09551997       0.90197731      -0.32790509       0.33819108
Cl       9.34404999       6.32827000       5.79147996       0.26082572      -0.11649694      -0.28911103
Cl       8.88940003       0.48663496       0.08301996      -1.20735818      -0.42624600      -0.48009515
Cl       7.51530002       8.21467005       8.19780002       3.40591669       2.15025108       3.27291533
Cl       6.77939997       8.82642995       0.13741900      -0.21973554       0.10852802      -0.44381043
Cl       2.94218998       7.96809999       0.97405499      -0.79033034       1.22291288       1.62461036
Cl       1.30986003       7.37414997       4.92507995       0.16487083      -0.08958551       0.21129068
Cl       9.41979999       0.66069196       4.95705004       1.41628149      -1.16353850       0.36249191
Cl       6.34676005       1.01706003       2.16303004       0.86300385      -0.94427291       0.61752475
Cl       4.14391995       1.33335000       0.18891804       0.19807195      -0.87828123      -0.21888327
Cl       4.40672998       3.04036996       8.11070004      -0.32391420       0.16647782      -0.71596484
Cl      11.17780000       7.22405996       9.45003004       0.54177996       0.11636083       0.48800505
Cl       2.56712998       3.60418004      11.41620005      -0.18847476       0.74315891      -0.19295680
Cl      11.15778107       1.40840997       1.84288004       0.28573134       1.93357937       0.17784716
Cl       7.53368998       3.65123002       4.08335003      -0.19231306       0.37844485       0.30633360
Cl       0.52365404       5.35510005       1.91560004       0.04819541      -0.19064393       0.15270238
Cl       4.65120999       9.05382005       6.31182999      -0.40430836      -0.51574054      -0.45114995
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.94549444 stress="-0.004756301958890749 -0.002798787082388564 -0.0024653125746072553 -0.002798787082388564 -0.013477085753016626 -0.010245290429842728 -0.0024653125746072553 -0.010245290429842728 -0.02250095699935956" free_energy=-224.94549444 pbc="T T T" config_type=melt 
Li       0.06451994       3.11908003       3.72206001      -0.78952765      -1.66497680      -0.28411499
Li       3.94972995      10.07319999       8.96916998      -0.25665342      -0.00966071      -0.01000096
Li       4.99681997       6.89382999       2.61445005      -0.71018279      -1.10521680      -2.06800912
Li       1.10140996      10.39360002       0.31147394      -0.33417467      -4.86408698      -3.36433642
Li       2.86375997       4.02862999       3.29081002      -0.02267484      -0.31308460       2.79561118
Li       2.40424996       4.61560996       6.27643001      -0.76876452      -0.70023867      -0.17241801
Li      10.21630000       1.45825998       6.38678002      -0.08595786       0.20831903       0.56806575
Li       7.34077997       3.67732994       7.12934001       1.13072120      -0.78983129      -0.88043991
Li       0.36956299       6.78941998       9.45043003       0.27311346      -0.05116297       0.04157635
Li       2.30198995       2.73316004       0.00471996      -0.40202202      -0.51543385      -0.59468645
Li       6.49072997       4.78366003      11.20119997      -0.36909093       0.77672428      -0.73525164
Li       1.77593002       8.14215997       7.11383996      -0.69733476       0.08085255      -0.62532508
Li       3.81087001       5.98763001       9.09765005       0.46912690       0.72619810      -0.69031744
Li       8.45068003      11.41419999       4.06732996      -0.21831675       0.57025340       0.13221399
Li       8.19208003       8.13904994       3.56084002       0.01977115       0.03957115      -0.07086763
Li       7.62993995       0.31871696       8.92159998       0.43447308       0.08420505      -0.19483992
Li       4.39609995       2.39276000       8.43025997      -1.63952543       3.79841901       1.32543740
Li       5.24186002       7.73182003       6.19304996      -0.64650342       0.21546984       1.38617621
Li       9.68055997       8.76108997       0.65480402      -0.05117985       0.11968168      -0.10614988
Li       8.39358998       1.63934998       0.73871900       0.85684544      -0.61062037       0.00414659
Li       5.10495003       1.53377004       1.70489998       0.16450341       0.71628684       0.60551564
Li      10.78629999      10.84520002       9.01708998       0.04767082      -0.17783671       0.11932112
Li      10.67580004       5.86973995       5.32229994      -0.03129655      -0.28798696      -0.63175239
Li       4.18808002       9.91817999       1.84021999       0.09373459       0.38241974       0.67272289
Li       1.91684001       0.28208503       6.59299994      -0.55940277       0.81086265       0.30165394
Li       0.67059103      10.23850000       3.75525002       0.37419378      -0.13977425      -0.30422906
Li       5.46866005      11.45179996       5.70199999       0.25776157      -0.06268748      -0.53036730
Li       8.83586998       8.70194999       7.68603995       0.17220088      -0.09779768       0.26253202
Li       7.16050004       3.93159002       3.24884995      -0.28447606       0.00019693       0.32215673
Li       9.75049002       5.43764997       1.78977005       0.36082612       0.21062605      -0.32580133
Li       2.44296002       6.44495000       0.93660199      -0.42885668       0.10779178      -0.45092421
Li       6.55711996       8.32885004      10.42399996       0.17754874      -1.04509635       2.18620302
Cl       5.95734998       4.12169003       8.53382002      -1.30221473       0.63361724       1.08473068
Cl       2.33155003       4.16430998       1.50013005      -1.86161756      -0.09098223      -1.97926927
Cl      10.10850000       8.18834004       9.87861997      -0.40734862       0.38170946      -1.24469900
Cl       3.14238004       6.47493001       6.74275004       1.58969112      -0.10512345      -0.48748400
Cl       9.30575998      11.04860008      10.90790001      -0.50614739       0.83516158       0.16966650
Cl       6.24775005       9.03305996       8.66456005      -0.26880731       0.93590603      -2.49668410
Cl       1.41947999       2.63639005       6.53653000       0.80726916       0.18038732       0.87006657
Cl       9.14647998       5.72609000       3.85158998      -1.25798024       0.60852060       0.05301396
Cl       2.64775998       9.87422995       6.00267000       0.67174286      -0.52089445      -0.83920432
Cl      11.17939995       7.03288002       0.97857903       0.35271954      -0.78107421       0.48278303
Cl       7.64627999       7.69481998       0.77631003       0.17986168      -0.15740425       1.02105255
Cl       2.36924997       8.73414995       1.83793997       0.21732825      -0.63666017       0.08743878
Cl       2.44186002       8.18919000       9.08118998       0.50614719      -0.73536879       1.76700395
Cl       0.11751988       0.62562904       4.78881001       0.07092496       0.77581142      -0.15373927
Cl       5.05179005       0.17749801       3.42956002      -0.18116416      -0.13072224       0.91271600
Cl       1.72363995      10.95250007       9.01348997      -0.66963712       1.57711836       0.27431360
Cl       0.87361896       4.89832003       4.27259996       1.07463234       0.94933526       0.06105265
Cl       2.39069998       4.93626003      10.12620004      -1.37466488      -1.14740074      -0.32577793
Cl       9.19427995       2.67707999       8.39028999      -0.23574529      -0.36061325      -0.37315275
Cl       4.85837996      11.38490004       0.46041993       0.09456439      -0.53645263      -2.44089258
Cl       5.67038002       7.57552005       4.25527996       0.72385222       0.16049524       0.22565404
Cl      11.18889994       6.62138997       7.09725997       0.15793758       0.79900142       1.21861513
Cl       9.43460003      10.77039995       7.08168999       0.30976384       0.44755748       0.91178668
Cl       5.13809006       0.87435405       7.81395002       1.76187114      -4.02435373      -1.19732658
Cl       4.99857000       6.49510004      10.94219998       0.20561765       0.38999538       0.61371607
Cl       6.71397000       2.95197004       0.70810903      -0.62431425      -0.21467953      -0.15344541
Cl       4.78178997       4.59827001       2.88879005       2.03421736       0.44109709       0.45509238
Cl       7.44290997       9.71788996       5.06059003      -0.85038196       0.36687497       0.91016704
Cl       8.98676994       2.69170004       2.78884996       1.60187902      -0.45785242      -0.68518008
Cl       9.93606003       9.98271002       3.45846996       0.26291961      -1.34444642      -1.47114765
Cl       7.02937000       2.54211996       5.08474000      -0.22309924      -0.11218938       0.89500172
Cl       1.30306997       0.35381096       1.27021999       0.60363268       5.46124343       3.15063053
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.57147536 stress="-0.006211812075394379 0.0024463865775565313 0.003467317708846698 0.0024463865775565313 -0.008761590574821102 0.002516423044537288 0.003467317708846698 0.002516423044537288 -0.016688343958389137" free_energy=-226.57147536 pbc="T T T" config_type=melt 
Li       9.85645998       4.20643995       3.94068005      -0.04341020       0.09154352       0.04631919
Li       6.23833994      10.60899997       1.24494997      -0.04024637      -0.21893596      -0.06266611
Li       5.52565999       6.31714002       2.14677002      -1.26071502      -0.01762516       1.56713599
Li       1.49431996       2.63139002       8.80404996       0.09319391       0.38384705      -2.22349451
Li       2.95971003       0.65985404       2.88476001      -0.31020659       0.21467040      -0.03157267
Li       4.93398001       8.69589995       5.40260000       0.25269401      -0.12698725      -1.14659316
Li      11.37220002       0.51382995       4.98753001       0.05910240       0.15728094       1.33519069
Li       6.63219999       5.53357997       5.72815002       0.53427982      -1.16035602       1.26750092
Li       0.06818965       6.86639001       9.22563005      -0.29655702      -0.45961804       0.14878595
Li       2.22102004       4.34781997       0.53443195      -1.06296791       0.15544255       0.02799931
Li       3.11345004       5.97935005       7.68251996       0.51727370      -0.98777083      -1.65343506
Li      10.66079994       7.73847997       5.16919001      -0.79951068       1.92513145       0.58053555
Li       2.02697999       9.04078000       7.51540996       0.13990082       0.13360944      -0.13405368
Li       7.66522001       8.79075001       7.63849999      -0.17934774       0.05781127       0.04204599
Li       7.88737999       9.14835003       3.62955003      -0.11205709      -0.05621868       0.31101411
Li       8.05189998       1.04992995       9.25080000       0.19227480       0.33967219       0.19629306
Li       4.92595995       2.92673005      10.49129999      -0.26604676       0.32064664       0.09104000
Li       5.77502998       3.04412004       2.75455995       0.63204435       0.77930414      -1.11871294
Li       2.91262004       7.44728004      11.03900001       0.11662388       1.71854613       4.72363689
Li      10.35760000       2.65521004      10.49620005       3.56374886      -1.44080902       0.89776192
Li       9.80105002       0.83586995       2.24849006       0.16159354      -0.04668940       0.53447894
Li      10.34840003      10.13820005       9.48036005      -0.39224606      -1.38303784      -0.01346942
Li      10.09280001       3.97264005       7.26986996      -0.20066009       0.22895295      -0.35160449
Li       5.34913003      11.35089996       8.41933004      -0.23589573      -0.84276709       0.66868271
Li       3.70881005       2.40757001       6.07648999      -0.16445382      -0.58514422       0.05958024
Li       2.42731999       8.97677997       3.01374004      -0.51174314       0.54393732      -1.53219848
Li       7.84178999       1.06188995       5.67884994       0.15900109      -0.06380706      -0.21051913
Li       6.94916005       6.43841995       9.90925001       0.52642538       0.25391944       0.34354178
Li       1.41108000      11.19510005      11.15840003       0.24362606      -0.54351668      -0.09291339
Li       8.57721003       5.01187005       0.46759600       0.08514731      -0.00972032      -0.43373038
Li       1.53795003       6.02697003       3.71446997      -0.71167360      -0.27205443      -0.15368216
Li      10.46329998       7.98370001       1.24420995      -0.13094172       0.26538193      -0.62923968
Cl       3.36072998       3.80505005       7.77381002       0.64943974       0.29056803       0.40040518
Cl       9.51765003       7.19239000      10.56540005      -0.62427557      -0.94398594       0.21736536
Cl       8.05039999      10.30440001       9.45800001      -0.59746113      -1.07563523      -0.25975293
Cl      11.01539999       5.95967001       5.78618002       0.62478154      -2.89593867       0.97827637
Cl       4.18965005       3.94855005       0.99638500       1.32224382      -0.42364061      -0.10503592
Cl       2.78009996       7.66087001       4.46982995       1.31375850      -0.32159020       2.66737071
Cl       4.57259999       8.95316997       7.44417001      -0.36247720       0.56254129       0.77925702
Cl       5.79191996       9.93967999       3.46031995      -1.01372243       0.47144837      -0.60503259
Cl       0.02728395       9.32325000       6.39602997       0.45027018       0.53451509       0.82216514
Cl       2.80897997       6.99047995       9.31195001      -0.71299093      -0.60455904      -2.89563286
Cl      11.26959999       7.76550002       3.27068998      -0.20432287       0.29040381      -1.91936655
Cl       6.49650006       6.86970995       4.26638999      -0.19635145       0.83192949      -1.26206522
Cl       1.40814996       1.53873006       6.65870001       0.10405379      -0.32933595      -0.54471643
Cl      10.60740002       0.63344401       9.22427005      -0.11050768       1.38911916      -0.23617705
Cl       4.46865004       2.07735002       3.87170005      -1.30561344      -0.85307360       0.91481233
Cl       0.52611496       0.01561183       3.06695000       1.29605137      -0.51209355      -1.37513993
Cl       8.05245003      10.02870001       5.74370005       0.59078891      -0.27096530       0.15700611
Cl      11.40600005       4.17635997       8.98847996       1.09053561       1.38235394       0.00940644
Cl       8.33115001       3.96066000       5.80465999      -1.09123688       0.67178891       0.61517978
Cl       1.52974000       1.86883001      10.60249995       1.04277561      -0.50294637       2.44597405
Cl       8.78715000      10.20310003       1.84619001       0.04799087       0.22501837      -0.50013046
Cl       8.80454005       3.38903001       9.86178995      -4.70201457       1.21210445      -0.56763683
Cl       7.70372005       3.68838999       2.06786001       0.80643583      -0.29857347       0.25551341
Cl       5.79942998       0.94385796      10.38710000       0.04190130      -0.01496815       0.31038501
Cl       3.49244000       9.85386997       0.42062100      -0.13325261       0.34357210       0.45711697
Cl       6.65716999       6.31556998       0.55453502       0.63859195       0.53197756      -1.25482146
Cl       0.53196805       3.80203999       1.85749001      -0.84801841       0.02054552       0.46669154
Cl       6.70966997       6.20588996       7.88452000      -0.11456568       0.38759602      -0.58551676
Cl       2.36913005       6.65971999       1.72937003       0.57823318      -0.07472004      -1.53655685
Cl       9.71994000       1.99621995       4.43498003       0.40112574      -1.62656602      -0.75623149
Cl       5.83921997       0.76322998       6.63769998      -0.11060922       1.00076861      -0.41859857
Cl       0.51101398       8.78429001      10.38509994       0.57019175       1.24770208       0.27182848
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.51654172 stress="-0.0085374373726475 -0.0019191470903280829 -0.0016103667950863661 -0.0019191470903280829 -0.0168938835073532 -0.005407530360587821 -0.0016103667950863661 -0.005407530360587821 -0.0111786340703543" free_energy=-227.51654172 pbc="T T T" config_type=melt 
Li       9.93057999       4.08469995      11.22639995      -0.24476760      -0.03473996       0.13951724
Li       7.24690999       7.40090003       1.95464004       0.31108571      -0.50222263      -0.02233188
Li      11.26520000       6.47261996       8.28803996       0.11174137      -1.25037622       0.10767629
Li       5.96207005      10.75770005      10.88209999      -0.53135222      -0.04487434      -0.26516415
Li       4.27373997       2.82546996       9.57221003       0.43601693      -0.21699779      -0.58548694
Li       4.73003999       6.92386996      11.15950003       0.49795544      -0.02362664      -0.20941370
Li      10.25630002      10.02720002       3.50500003      -0.32589165      -0.49006058       0.01029860
Li       1.99330000       3.81073003       4.79385005       0.40127987       2.39455800       1.68563070
Li       9.66560998       6.93401000       4.53315003      -0.21016307       0.04246669       0.93995390
Li       0.35340203       6.92451998       1.50771001      -0.17237643      -0.05567032      -0.22981295
Li       3.67336995      10.94229995       7.83478004       0.14784691      -0.18391322      -0.05923150
Li       9.41272997       8.54701002      11.01120005      -1.96219598      -0.39268896      -1.36808346
Li       5.69743996      10.37599994       2.97813004       0.48349349      -0.15647423       0.20212131
Li       7.96752001       0.71449796       9.38304998       0.16902444       0.05990413      -0.86131356
Li       3.72944003       6.93479003       2.67624000       0.11968404      -0.13103329       0.31511440
Li       5.03019994       2.24723002       5.69668997      -0.10603396       0.12460674       0.26012008
Li       7.23330005       6.02364998       8.79522005      -0.00872936      -0.30685934      -0.27014591
Li       4.39991996       5.82321997       6.88992996       0.33523111       0.69128315       2.22046732
Li       1.76392004       7.95704005       5.42809003       2.77870462      -0.79513317       0.25964022
Li       1.11054000       2.39945995       7.70206999       0.05040944       0.02348848      -0.17979451
Li       2.25114002       0.50351898       4.83158003      -0.00922763      -0.71577970       0.48333260
Li       2.34647996       9.50010005       0.79985698      -0.28808365       0.91035119       0.11261411
Li      10.64359997       3.12811996       4.04354995      -0.19430184      -0.77794283      -0.44752795
Li       7.18201998       8.56804995       7.06128999      -0.20635136       0.01067036      -0.18742936
Li       2.10853997       5.42713001      10.07099999       0.68580616      -0.13692096      -0.38517591
Li       8.29097997       0.88272503       1.97518001       0.56407273       0.84442163       0.41299089
Li      11.12399997      10.14679998       6.90284000      -0.60090514       1.39466933       1.90922650
Li       6.10072995       4.37789995       4.06626000      -0.11171329      -0.40920834       1.25621054
Li       9.00410004       3.80053003       7.13356001      -0.16034625      -0.49783073      -0.20161357
Li       7.76533000      11.43880004       5.99321999       1.03900280       3.01828624       1.33510880
Li       3.76282000       2.58589998       1.90668002      -0.67853641      -0.87944911       2.00023085
Li       6.88592996       3.49814004       0.93228798      -0.24571824       0.39109505       0.36597146
Cl       9.13574001       1.30982002       7.45572004       0.62212142      -0.07914963       0.32661440
Cl       7.36710001       1.76234004      11.19710000      -0.33138193       1.41221200      -1.04207743
Cl       1.88021003       2.24442001       3.71281006      -0.86074346      -0.62133715      -1.89087658
Cl       5.44639997       8.37723997       1.86087002      -1.33812955       0.71032776       0.02844808
Cl       3.44834001       2.13797004       7.57408999       0.66094135       0.68649316      -0.85601146
Cl       0.04902837       8.80895002       5.55652000      -2.40243578      -0.34251804      -1.70228370
Cl       6.33518995       5.33767996       2.27290003      -0.37133843       0.57670461      -1.39474978
Cl       1.44116995       0.04191994       7.12996000      -0.54445758      -0.35120692      -0.29177600
Cl      11.08109994       8.85243999       0.43994702       2.51467332       1.21911281       1.39108487
Cl      10.14710000       0.70213602       3.49631997       0.41152667       0.65071917      -0.18485393
Cl       3.75411998      11.32729994       3.26315004      -0.60382019      -1.45647938      -0.35982913
Cl       4.09397994       5.41556003       5.03441995      -0.67573880      -0.87969197      -2.37857015
Cl       7.56045002       6.45106001       6.22905995       0.49215308       0.72862234       0.09919184
Cl       5.15662997       2.38472996       3.42732002       1.54043139       0.39826981       0.43164124
Cl       6.84585003       3.42913997       6.16231996       0.14497821      -0.31910185       0.00439889
Cl       6.67858997      10.75970000       7.46523998      -1.56067061      -0.71958583       2.30183278
Cl      10.33960005       8.17909995       8.72673004      -0.95355573       1.78807827       0.05345895
Cl      11.36810005       3.65950001       6.11306001      -1.22857498      -0.45903241      -1.46592055
Cl       8.94507998       3.51253997       1.96037997       0.84517971      -0.02865901       0.09423904
Cl       9.29586000       7.28767995       2.49335997       0.63233707       0.02164488      -0.00503471
Cl       7.86201997      10.29750000       4.54476002      -0.11249171      -2.65662483      -3.03112979
Cl       7.58811000      10.73220005       0.81665696       0.39191872      -2.46702545       0.60913031
Cl       4.90817002       5.15751995       9.15254000      -0.14846002       0.15464097       0.03490930
Cl       9.21546995       4.85373005       9.09708005      -0.22980070      -0.11205338       0.17501607
Cl       0.26504900       5.40027000      11.07800000      -0.57206772      -0.16387334       0.89028769
Cl       1.40492998       5.07602004       7.86574002       1.52194572       0.80622570       1.09194572
Cl       3.98721001       8.65557996       6.35353005      -0.42021117      -0.00216088       0.24898556
Cl       1.51642997       6.89013998       3.53889005      -0.10620010      -0.54045577      -0.62594342
Cl       3.65479002       3.11320998       0.08921996      -0.54563956       1.29400272      -1.45274529
Cl       2.60642001       7.46743000       0.39750396       0.67584597      -0.89531865      -0.41995854
Cl       6.68652004       7.74343999      10.12920001       0.36872290       0.58352288       0.20424477
Cl       4.09256995       0.23635402      10.01440004       0.10828149      -0.84030123       0.37263050
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.27250197 stress="-0.01358035633994941 0.0020222032314903193 0.0025517831660523006 0.0020222032314903193 -0.014332095901221132 -0.008306314913866955 0.0025517831660523006 -0.008306314913866955 -0.008941313850183976" free_energy=-227.27250197 pbc="T T T" config_type=melt 
Li       0.75532100       2.99326002       8.43288999       0.37094270      -0.16015400       0.10183793
Li       4.16443001       5.12799002       3.10097003       1.69021101       0.21417032       0.19942746
Li       6.49306994       5.03123998       8.39856995       0.81378161      -0.70588188      -0.57928481
Li       9.40629003       6.98237998       8.40983005       0.55769235       0.82245231       0.78015400
Li       4.41502003       4.06898999      10.82780000       0.04770158      -0.31943848       0.20289557
Li       4.11185000       8.37529998      10.20850005      -0.60042125      -0.13427308       0.29036058
Li       6.82712003       9.21519997       0.50801699      -1.34428498      -1.48962962       1.15558017
Li       3.81677996       3.55544997       6.72614002      -0.03198811      -0.39692868      -0.17675783
Li       9.94078996       8.48919004       0.46198905      -0.21352578      -0.42297839      -0.19931658
Li       9.98065997       3.29729995       3.39803004       0.53597371      -1.86839489      -0.50922736
Li       7.26705995       0.07738744       5.73298003      -0.10704518      -0.06131841      -0.83485047
Li       8.63644998      10.29520004       8.92433995      -0.01012127       0.27852072       0.37385465
Li       4.72036001       0.80271800       4.52191997       0.26023710      -0.36805594      -0.23031853
Li       2.11371999      10.94610002       6.94262002       0.72428644      -0.28420049      -0.60940510
Li       4.16548002       8.17095996       5.90204996       0.27369139       0.07788868      -0.09922768
Li      10.36290005       0.80992296       6.59891001      -0.56528416      -0.07931360      -0.71453363
Li       6.30268998       1.47598995       9.14169995       0.22257218      -0.10611851      -0.26015889
Li       2.71652995       9.70658997       2.43264996       0.34212822      -0.16868253       0.16766085
Li       7.92123000       7.41530994       4.54759995      -0.34702822      -0.00380830      -0.18060570
Li       1.00722998       9.30877005       9.76002005      -0.12512427       1.42033656      -0.68610050
Li       0.33615998       6.24495999       3.20684002       0.16337250      -0.36085338      -0.77578451
Li      10.17690002       0.81442796       0.07153493      -0.22930208      -0.00620184       0.22084300
Li       8.29144003       5.79582997       0.78582103      -0.18364529      -0.09410783       0.18724469
Li      11.02800003       8.69907005       6.01370001      -0.20579720       1.52943533       0.66942982
Li       0.49862396       4.91710998       0.17697604       3.93282983      -1.97311510      -2.42782513
Li       6.52891003       2.41298998       1.55299999      -0.71403715       0.64461605      -1.47763022
Li       2.94398001       1.06420998      10.93889999      -0.29777480       5.78898971       1.61637181
Li       2.04778995       6.35904001       8.46010997       0.82147269       2.45340962       1.85434090
Li       7.16231002       4.17677004       4.24439004      -1.30351048      -0.45144040       0.30459830
Li      10.29219995       5.15228994       5.99599997       2.31758380      -1.16264827      -1.48349404
Li       1.16228001       1.98301000       3.51550005       0.49575407       0.17952417       0.58174586
Li       9.13087996      11.03350002       2.66860995       0.19058519      -0.30338238       0.30813589
Cl       6.01230997       9.72663996       5.51013999       0.17085853      -0.03531582      -0.01138270
Cl       3.10880999      10.85229997      10.51029997       0.43819033      -5.51343691      -1.76505925
Cl       3.07635003       1.44951996       5.69875996      -1.41925418      -0.02939215       0.04663951
Cl       6.15431996       4.48497999       2.15869998       0.72812744       1.32719461      -0.07798564
Cl       4.71055002       3.00116005       8.78178999      -0.54725419      -0.42254341      -0.59337324
Cl      10.27890001       8.96444005       8.35743003       0.49352149      -0.24608167      -1.63474446
Cl       8.62260995       7.06155000      10.38590004      -0.77873006       0.02485244       0.69357406
Cl       2.74633995       9.58879002       4.81282997      -0.57618240       0.32083019      -1.21104885
Cl       5.84897998       2.41972994       5.50871005       1.30110378       0.53250369      -0.19955013
Cl       7.76373005       1.32561001       2.61382995       1.29871339      -0.80969441       1.42560118
Cl       2.52637996       8.47081005       7.65893999       0.38427280       0.21549073       0.24038604
Cl       1.36562000       7.48193002      10.47099996       0.55215106      -1.90607621       0.88721632
Cl       8.03970003      10.59100002      11.34509996      -0.37701339       1.85225300      -1.12987410
Cl      11.23010004       0.89999299       2.21427996      -0.10395107       0.13915242      -0.60242895
Cl       1.68485996       3.50281001      10.67720006       0.22900635      -0.94562658      -0.49792440
Cl       1.51145000       4.87665999       7.44346002      -0.72857432      -2.45033246      -1.84538297
Cl       8.46682002       8.44101002       2.26345002      -0.09203094      -0.26516138       0.49884065
Cl       7.22357995       2.72455999      10.63610004       0.94667702       0.40705873       0.49823805
Cl       5.75160995       6.03240995       5.18633003      -0.21332650       0.29019003       0.13350794
Cl       0.60112506       0.70551397       7.83664000       0.01143947       0.27227543       1.31617141
Cl       2.18629003       4.92449997       3.02078002      -1.59319066      -0.33250918      -0.07969697
Cl       9.10752997       4.94441996       4.06045999      -0.43322080       1.48015424      -0.41031280
Cl      10.76959997      10.25220005      10.92879996       1.76793917       0.48146018       0.44700106
Cl      10.71520002       5.78967995       1.02550003      -4.15385568       2.54723451       3.31903523
Cl       8.84567997       5.58167997       7.12040005      -2.99237000      -0.51920536       1.31667678
Cl      11.28450000       6.90776001       5.12254002       0.39090489      -0.06267287      -0.03131551
Cl      11.17120001       2.53517995       5.20607003      -0.20117592       0.56925124       0.01166057
Cl       8.19147999       0.65180795       7.50463996       0.11914459       0.33030300       1.51575841
Cl       4.41019998       8.70261997       1.23104999       0.41259717      -0.18421076      -0.21921897
Cl       4.41262995       2.25444002       1.19511004      -1.53032572      -0.77919336      -0.44447480
Cl       9.85905996      10.60120002       5.02490998      -0.03258900      -0.39268902      -0.19666217
Cl       5.09172002       5.94858004       9.57279998      -0.95352883       1.61551962       0.83016820
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.86801621 stress="-0.005710104854377364 0.002870981844500524 -0.000334147361189606 0.002870981844500524 -0.012339110497149006 0.00615193649191963 -0.000334147361189606 0.00615193649191963 -0.009433172344290896" free_energy=-228.86801621 pbc="T T T" config_type=melt 
Li       5.08254000       2.61407001       8.19204002      -0.63388457       0.41433258      -0.68541842
Li       1.45483996       2.68428002       2.06607995      -0.12880951      -0.10999098       0.02679965
Li       4.96076000       6.20684997      11.04349997      -0.20653651       0.20938812      -0.11759639
Li       6.86981003      11.17990002      10.45559999       0.36907707      -0.63040787       0.31194095
Li       4.74880002      10.15709995       6.89144003      -0.29199698      -0.34277345       0.04127058
Li       5.59370004       6.88060996       4.15111998       1.25474035      -1.58537440      -1.67294548
Li       3.05168004       9.11320995       9.80523001      -4.18693801       1.17246092      -0.44877390
Li       5.06081003       2.40294005       5.08935001      -0.15863128       0.11868332      -0.68501857
Li       7.97945994       2.97718996       9.60203000      -1.19611817       0.89348268      -0.72084904
Li       2.23401996       4.77681998       9.66836003       0.04806775      -1.31844413      -1.02318241
Li       5.09494000       2.83416998       0.21906497       0.88400277      -0.39536836       0.14631705
Li       7.53654998       4.84507005       2.28063005      -0.06351942      -0.39708767      -0.11154230
Li       7.83823996       0.41200605       6.96236002       0.83407732       1.61748366      -0.58181338
Li       3.04870999       0.06471987       1.56364996       0.02393238      -0.16019996      -0.09283741
Li       1.45004995       3.75467004       6.56006995       0.37181348       0.32895686      -0.14857864
Li       9.94781997       5.40944005       7.43230998       0.22419998      -0.06108770      -0.29823789
Li      11.38270004       2.26678005       9.02170997      -0.51507867      -0.83449397      -0.19565349
Li       1.33656000       6.58449001       1.49343996       0.19552801       0.21177634       0.41985514
Li       7.05759998       0.00508372       2.29824996       0.44161777      -0.01282934       0.36048679
Li      11.04649994      10.54150001      10.61870001      -0.36018392      -0.20774934       0.14443964
Li       9.91607997       7.05325995      11.45530000      -2.14440476      -0.57545654       0.04452077
Li       0.01441989       9.73031999       2.81068001       0.00908502       0.12005601      -0.07250285
Li       9.29895995       1.81031002       1.09383998      -0.33873972      -0.87372202       0.06472048
Li       9.63567995       8.74150004       8.14321996      -0.23933285       0.80851990      -0.98319516
Li       0.83093205      10.93400004       6.82902001       0.23146441       0.18473995      -1.15234751
Li      10.44850005       5.13868998       3.17259999       0.17522544      -0.13666177       1.19225091
Li       4.10929003       8.71283005       2.38323994      -0.35114082      -0.44055557       0.01838528
Li       8.97439001       8.04701998       4.89937004       0.38887591      -0.01884119       0.32300382
Li       1.99678995       7.63844003       5.96586003      -0.16214132       0.12009138      -0.17126537
Li       6.26644004       6.79881003       7.19402996      -0.63154557       0.12408470      -0.07313214
Li       3.75934002       4.21174997       2.80228999      -0.08586701       0.32737448       0.18556497
Li      10.53439995       1.38811005       4.68728005       0.15752443      -0.40133073      -0.02259390
Cl      11.08239999      11.00610005       8.41565001      -1.57657685      -0.15390148       1.42476623
Cl       9.48754002      10.48610002       4.87458002       0.13895402      -0.06556821       0.02169879
Cl       8.60861998       2.67923000       7.05232997      -0.06796018       0.12274887      -0.01698717
Cl       5.28889005       6.75737995       1.80346998      -0.13544609      -0.03464042       0.45758173
Cl      10.21920000       7.94429005       9.91392995       1.18795806       1.68014417      -2.14749548
Cl       0.82428495       1.62822997       6.42406002      -0.02109797       0.34360297      -0.72116769
Cl       6.90895998      10.22989996       7.51284999       0.35351635      -2.55171213       1.36902972
Cl       3.66266002       2.00742995       2.50668995      -0.01683809      -0.57251677       0.96497969
Cl       1.44664002       4.38430997       3.75078996      -0.10445543       0.03624633      -0.25523250
Cl       8.48902002      10.46479996       1.01270005       0.49830963      -0.10173371      -0.75795764
Cl       9.70363000       3.79499003       1.65798001      -0.14053440      -0.63205328       0.22773716
Cl       0.02683811       0.55698299       2.34334998      -0.36525849       1.39533076       0.96216884
Cl       6.57394001       4.46431998      10.81500001       0.07547201       0.91936355       0.02688616
Cl       2.34623004       9.66675996       7.50966005       1.18935951      -0.87674140       0.01922543
Cl       5.28191002       0.86405901       6.53894999      -0.77533123       1.07190595      -0.43598818
Cl       9.39817997       1.78175995      10.28940003       1.64229826      -1.08707301       0.61603534
Cl      11.15400004       6.84383002       5.84531003       0.34942259      -0.06841340       0.27391166
Cl       8.39427004       7.04387002       7.32985004      -0.53382299      -0.07068908       0.08184073
Cl       6.90357004       2.09745000       1.89147002       0.07105756       0.61317364       0.02935593
Cl       6.01978995       1.58477003       9.73946001      -0.08139310      -0.59301540       0.62048634
Cl       1.33485996      10.18259994       0.53369399       0.96724499      -0.77622578      -0.74434607
Cl       2.36977996       6.14854998      11.06770003       0.16090970       2.38130565       1.08670327
Cl       3.53560003       4.43697000       7.78599999       0.42626243      -0.17139091      -0.27879915
Cl       3.05236996       3.29943999      11.36810005      -0.94588725      -0.49005863      -0.52627482
Cl       4.67186002       7.77914996       5.59941005      -0.81086710       1.16827047       1.78004786
Cl       0.28786395       4.31580998       8.51114998      -0.39931174       0.60776807       0.05664877
Cl      10.61500003       6.43875001       1.54802999       1.71510476       0.76937726       2.61706542
Cl       5.25968995      10.47000004       1.86486005      -1.26654745      -0.26077417      -0.14524985
Cl       1.63204998       8.18862000       3.62104996       0.58350311       0.32528290      -0.61483404
Cl       4.74604997       8.54943001      10.02809997       4.19994966      -1.39647204       0.43563802
Cl       8.24349997       5.99841996       4.17265999      -0.12487527       0.19181978      -0.38829062
Cl       5.31643998       4.48586996       4.48216001      -0.10748199       0.12758351      -0.06125566
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.37933911 stress="-0.009030934955707476 -0.0009490266368016148 -0.003052884467604884 -0.0009490266368016148 -0.0030111873169083258 0.0008817988738935417 -0.003052884467604884 0.0008817988738935417 -0.017021094844326918" free_energy=-228.37933911 pbc="T T T" config_type=melt 
Li       4.79431000       0.43690096       5.80398004      -0.78571526      -0.69734780       0.06620482
Li       6.75104995       2.12281999       1.54684000      -0.45553843       0.08985676       0.14905853
Li       9.20489003       5.53938996       3.80879004      -0.00432004       0.04658721       0.09738734
Li       3.77148997       3.11790999       0.70900703      -0.04232285       0.34511206      -0.24916475
Li       4.24518004       7.48219003       5.06079994      -0.64221817      -0.12840443       0.44132163
Li       7.38753004       7.25882997       6.55700004      -0.16534416       0.12512270       0.53138899
Li       1.44392998       4.71829002       5.49716999       0.00931056      -0.04697360       0.69044368
Li       2.35893005       1.16466000       3.22197000       0.64816246      -0.53363830       0.39635952
Li       3.06203997       2.67778997       7.99272996      -0.26963112       0.31023998       0.10452117
Li       0.84988698       0.88677995       0.46448299       0.45707094      -0.23128098      -0.07515692
Li      10.47679997       2.35351994       2.76408998       0.46353536      -0.01843690      -0.04883859
Li       1.93307997       6.39264996       2.26275999      -0.09089595       0.14540848      -0.15153085
Li       2.86445001      10.87550000       8.99559996      -0.10526305      -1.91338266      -2.95014869
Li       7.39301994       2.72661004       6.30146995      -0.73087686      -0.37991635       0.67438098
Li       4.74832998       4.06464996       4.38570999       0.17339139       0.01275066      -0.11924183
Li       8.71899004       7.16734994      11.00489997      -0.21584376      -0.71382657      -0.42953281
Li       8.94710996      10.41009998       0.14642901       0.46211349       0.02481754      -0.49748512
Li      10.66799997       9.36119998       2.98031994       0.45523106       0.01282838      -0.21606158
Li       6.15663998       0.03683106       8.96877997       1.22883068       0.09322067       0.23492734
Li       1.23992999      10.95700003       5.59486997      -0.70582182       0.28537699       0.85610576
Li       2.63377000       6.59807002       9.24504000       0.15529757      -0.19507238       0.26448486
Li      10.90500000       2.23737005       6.13985994       0.06725057       0.65827611      -0.62206008
Li      10.99740003       4.89009005       0.28113395      -0.26625007      -0.33474985       0.23772313
Li       0.72628198       8.73035000      11.21120003       0.57974966      -0.38923996       0.05349921
Li       9.88915003       1.28015001       9.04901995      -0.16334126       0.56565158       0.12131112
Li       7.77848997      11.33957612       4.19497005       0.30095586       1.44101611      -0.15821797
Li       3.61414995       9.95739998       0.30122900      -0.25283106       0.58942888       0.71277412
Li      10.01569997       9.56915996       8.58795000      -0.47901594       0.74058012      -1.04748788
Li       5.37908000       4.99361995       8.05665995      -0.41714907       0.39247255       0.76267588
Li       9.59328998       5.39230003       8.00419000       0.09868364       0.09662923      -0.18415589
Li       5.51101999       6.31886998       0.51499300       0.26200610      -0.52231081      -0.27803543
Li       6.31742995       8.70273002       2.81992996       0.77507120      -0.02016748      -0.32870930
Cl       9.57012995       4.97390999      10.15299998      -0.41858978      -0.01743483       0.07536381
Cl       8.73478002      10.67690003       2.32364999       0.17268256       0.35419321      -0.13214694
Cl       9.56572996       4.29373998       2.06519995       0.35761888      -0.96655009      -0.03303422
Cl       7.05632997       9.60827998       4.80735005      -1.21030442      -2.09591152       1.03903532
Cl       3.05446002       5.73258004       7.11224998       0.09593954       0.23051972       1.09421864
Cl       6.20548997       5.29764005       6.06968995      -0.08263430      -0.35728798      -1.74597162
Cl       3.05887995      10.03560001       5.44735999       1.41783368      -0.57764338      -0.00945625
Cl       3.02466997       5.66238002       4.18090005       0.72996494      -0.07591697      -1.32415641
Cl       5.77962005       4.11470002       1.56394998       0.20394257       0.62744996       0.65052720
Cl      10.27160002       0.89495903      10.99319998       0.46434666       0.02553130       1.78583423
Cl       4.27347996       4.74508995      10.31270003      -0.54593544      -0.14701207      -0.35179393
Cl       6.14259005       1.62400000       4.68781005       0.59614909       0.47301622      -0.34499892
Cl       2.84409002       8.94895995      10.07359998      -0.19276708      -1.66426891      -1.47840997
Cl      11.38629994       4.06916998       7.17361999       1.02368694       0.96429118       0.93008963
Cl       0.37113497       0.40610997       3.93530995      -1.40874921       0.34378574      -0.44601916
Cl       4.43159004       0.78972095       8.00140005       0.09697670       0.27683933      -0.74812465
Cl       0.44821988       7.49498004       3.50706005      -0.83186164       0.17116482       0.33756235
Cl       1.04471004       6.39548003       0.12865605       0.94808043       0.01136807       0.05300282
Cl       9.05648996       3.63747002       5.60601004       0.38181465       0.50905398      -1.85662244
Cl       8.09248995       7.09694998       1.70493002      -0.51407285       0.55618672       0.44603068
Cl      10.79020002       0.60619605       7.36911004       1.23004747      -2.32224902      -0.61344721
Cl       6.71996994       6.60615005       8.76068998      -0.14876969       0.48135147       0.82193513
Cl       2.31284995       2.42270000       5.88624003       0.53403162      -0.30029036      -0.63394151
Cl       2.87582005       0.42177797      10.51740003      -0.43086400       3.24504130       3.28729034
Cl       9.31227995       7.76335998       7.44593998       0.65984138      -0.22109665      -1.19884245
Cl       1.67288999       2.68345000       1.98104995      -1.38950522       1.28651047      -0.92156594
Cl       1.26152995      10.15449996       1.25465998      -0.19255593       0.27957966       0.79643591
Cl       8.06509995      10.41510002       9.58069004      -1.14475935      -0.24385610      -0.02405051
Cl      10.34080002       8.43394998      10.24269994       0.38475099      -0.10530395       1.32558396
Cl       4.33747002       1.33946998       1.87437999       1.05014648      -1.32980214       0.28646329
Cl       4.69559005       8.26212002       1.37779002      -0.11451318      -0.07271282       0.40519494
Cl       8.05108005       1.86492001       8.35467998      -2.06625417       0.81082570      -0.51072648
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.50152524 stress="-0.0038913443867923405 -0.0036139321625532485 0.005176351878021362 -0.0036139321625532485 -0.00011148624170461994 -0.005542284492683567 0.005176351878021362 -0.005542284492683567 -0.020411090896876982" free_energy=-227.50152524 pbc="T T T" config_type=melt 
Li       7.14381997      10.73279998       1.02932004       0.01784087       0.09246784      -0.62813839
Li       3.78207001       2.20889003      10.23499996       0.53205148      -0.42465419       0.04522604
Li      10.15870002       4.95309005       2.31699005       0.04235119      -0.76010012       0.69369742
Li       3.83284004       3.94311002       2.29141003       0.93775900       1.48373164       1.11948519
Li       4.45340003       4.11180002       6.02865001      -1.01300239       1.56890464       4.10850942
Li       1.44084998       3.65053998       4.73048996      -0.79364975       0.00661267      -0.18353776
Li       0.94904796       9.88525997       3.80269001      -0.40147777       0.33269973      -0.31136860
Li      10.59189996       0.48764496      10.50290001       0.39928170       0.98382498       1.65966748
Li       4.68123001       5.79203002      10.16719998      -0.18256030      -0.19647324       0.08778025
Li       1.02810999       3.29727003       0.59214600       0.86110624       0.60977290      -0.60816033
Li      10.34330003       1.20097998       2.97751005      -0.73307358      -1.44092035       0.76111297
Li       2.35094002      11.13669998       0.43692699       0.22821557       0.05345049       0.02082052
Li       7.33409996       6.96947005       0.40753005       0.84361092       0.08363526       1.22040152
Li      10.81030000       5.11110004       9.00694994      -0.20027972       0.29666263       0.00645051
Li       6.62133002       1.59080001       4.17572003       0.05213231       0.49614366      -0.09339204
Li       5.41729996      10.32410000       9.23765001       0.35304259       0.66240892       0.69901804
Li       7.40728002       3.08072995       0.28782703      -1.11768281       0.28552194       0.57471008
Li       7.70726996       8.98547998       4.16421998      -0.04900138       0.08172505       0.32314886
Li       9.86329005       4.03409995       5.98306998       0.20030905      -0.34156769      -0.30963230
Li       0.18510502       1.01188998       7.29969004       0.08760143      -0.23076654      -0.42979320
Li       4.32939997       7.46712000       6.49017005      -0.48154469      -0.32337730       0.31850664
Li       2.00262997       4.47675002       8.15621002       0.04543776       0.12427383      -0.32625875
Li       2.32975999       9.17839000       8.65143998      -0.16202076      -0.16145803      -0.63329578
Li       1.59384000       7.29307997       0.18551991       0.38226417       0.78357379       1.23184717
Li       7.69916999       2.30332004       8.52077998      -0.30493643      -0.11665761       0.02355177
Li       3.74146995       0.19224199       6.38001001       0.02441177       0.12077755       0.20515411
Li       9.86255003       8.43465996       2.11102004      -0.34435279       0.00960796      -0.48505080
Li       8.92383001       8.87961997       9.43820005       1.32377485      -0.58898309      -1.57823356
Li       7.44884995       6.31619995       8.01552003      -0.65712897      -0.37145005      -0.13978541
Li      10.79610000       7.92224000       5.72956998       0.46683505      -1.28451853       1.11623779
Li       3.87738003       8.09223005       2.42102002      -0.11335045      -0.33200638      -0.09764884
Li       7.18214999       5.23325997       4.51720001      -0.26056952       0.01875351       0.10069001
Cl      10.36910005      10.64920004       1.64044998       0.11690512       0.78976157      -1.06769517
Cl       5.41573004       4.37556995       0.60629900       1.32321096       0.81257626      -0.34848231
Cl      11.33819995       1.82869002       4.90143006      -0.32706814      -0.66342805       0.62445054
Cl       7.70817999       9.23950000      10.89199997      -1.06188846       1.61381806       1.89778669
Cl       2.06628997       6.60807994       7.33452001      -0.66561853       1.27763517      -1.03069657
Cl      10.87819995       5.34068005       4.47671998       0.77106916       0.72577973       0.34281476
Cl      10.00799999      10.76895809       9.06204005      -0.15666054      -0.84682029      -2.11225094
Cl       9.50454005       6.75251004       7.68612994       1.17136487       1.22809157       0.19796129
Cl       5.54742000       1.14391997       7.84275001      -0.00527807       0.11634984      -0.95109877
Cl       2.46705002       5.86154001       2.10180001       0.20570146       0.72487607       0.24991479
Cl       7.08591997      10.99880005       3.19339998      -0.21844097       0.80383760       0.78321212
Cl       1.73262004       0.27020804       9.89589997      -0.06018597       0.53138471      -0.49386138
Cl       5.14308000       9.31746994       7.38188996      -0.50962260       0.08239732      -0.23769419
Cl       3.20421000       8.60242995      10.53769994       0.40581017       0.01411504       0.56370389
Cl       1.71575998      10.09659996       5.72798998       0.75160087       0.33895249       1.53415464
Cl       5.67807003       0.87635399      10.80709998       0.08895988      -0.48178738       1.02833599
Cl       2.40305996       9.92182002       2.25550001       0.79809644      -0.44712351      -0.18911572
Cl       2.74535001       2.61622002       6.18174996      -0.92341567      -0.64688696       1.22053140
Cl       6.59940997       6.84767996      10.02189997      -0.86009018      -1.17229596      -2.09512792
Cl       9.96262001       6.51875004       0.90813997      -0.09857898       0.38385520      -0.64732387
Cl       8.36562000       3.67783999       3.53509996      -0.55822257      -0.72054265      -0.38502072
Cl       7.14622999       7.83822999       2.42683000      -0.07327071      -0.26562561      -0.63644255
Cl       7.95209998       4.20629997       7.12372996      -0.95521508      -0.58990412      -0.10481295
Cl       6.11169003       7.16517001       5.13735004      -0.06794231      -0.42896928       0.58442487
Cl      11.07407108       3.11677996       7.80800005       0.40985616       0.68917598       0.84886876
Cl       3.18750000       2.65386998       0.97552001      -2.06177732      -2.43823771      -1.44237320
Cl       8.95381002       2.36249006      10.58789996       0.71416153      -0.12872260      -0.57557956
Cl       1.19474995       5.91418995      10.28199995      -0.67251414      -2.22377042      -1.13007006
Cl      11.19249996       2.69119000       2.01628003       0.20659992       1.50325705      -1.14471179
Cl      10.38499997       9.13239003       4.13380995      -1.11317522      -0.09140330       0.50936974
Cl       4.84790001       3.35818995       4.47564004       2.44822898      -1.71289641      -5.54384340
Cl       4.29316000       4.88368003       8.02490997       0.99400530      -0.29906524       1.25895154
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.0418019 stress="-0.006035545154298634 0.0020225384504624524 0.00013616686647884458 0.0020225384504624524 -0.006607253078449116 -0.001938656063055692 0.00013616686647884458 -0.001938656063055692 -0.0030083504074559023" free_energy=-229.0418019 pbc="T T T" config_type=melt 
Li      10.73139996       5.54844995       1.35678998       0.47537307       0.01737446      -0.45138946
Li       3.14192995      11.36500000      10.19239995       0.13557344      -0.04816594       0.04761538
Li       3.18095998       4.32824001       9.34611001      -0.00462921       1.50782359      -0.43375273
Li       9.13691005       2.46953995       0.40710805      -1.29247921      -1.09589986       1.67417978
Li      10.94079997       4.68438005       8.77832996      -2.17587583      -1.62843507       0.52926220
Li       5.76253002       9.90842997       3.65848003       0.03373428      -0.14593948      -0.07424834
Li       3.54221996       5.14889995       2.52566998       0.37011343      -0.07668122       0.30075578
Li       8.70334004       9.37367002       8.09167002       0.16058068       0.56578055       0.50599578
Li       5.03958002       5.04231998       5.89838002      -0.37362525      -0.14560562       0.01030473
Li       6.93210005       5.27488999      10.21929997      -0.27917682       0.44642320      -0.13667262
Li       0.43399202       9.69717000       0.81893205       0.09090248       0.03211393      -1.05259465
Li      10.57799998       0.33862296      10.17809998      -0.49033240       0.57366191       0.48636970
Li      11.11379997       1.01906995       6.57429001      -2.56129356       0.13194161       1.02928253
Li       5.05531004       8.89210996       8.72514005      -0.49682684       0.24965086       0.23012864
Li       8.67052996       0.45114097       3.00928995       0.23103212      -0.37273760      -0.61560522
Li       8.10929005       3.03235000       7.92228001       0.29905268      -0.41514225       0.20137319
Li       2.35842998       8.35473994       3.98659002      -0.50735098       0.27336291      -0.28628306
Li       7.52488003       6.35750999       6.78131003      -0.60483980       0.47663961      -0.83022325
Li       9.68963005       8.27799003       3.40151003      -0.00479502       0.02972586       0.16027921
Li       2.13530001       0.71569999       3.82796004       0.28265767      -0.05291814      -0.45451097
Li       3.76535005       1.73343996       7.05284001       0.40334109      -0.37404879       0.41806141
Li       6.55684000       1.19640998      10.07429999       0.01736173      -0.00817740       0.16503080
Li       9.29485000       3.74518002       4.78046998       0.18486398       0.57902430       0.18417280
Li       2.13179996       2.79346995       0.78566695      -0.19366815       0.14765425      -0.52272563
Li       0.61180999       6.60836002       6.01150002      -0.46917020      -3.37156016       0.38806029
Li       7.31838003       0.39136094       5.90929000       0.02853603       0.50294276       0.25829319
Li       2.24842998      10.01220004       6.72499004       0.27023489       0.37312028       0.33111342
Li       0.94316999       7.65137002       9.52579001      -0.30543004       0.24286173       0.57395682
Li       6.79978002       6.14040003       2.62330999       0.22480204       0.02731507      -0.15712401
Li       4.02661996       8.08943999       0.95976098      -0.11351666      -0.36725944      -0.73205889
Li       7.42736005       9.58703002       0.44167996      -0.14806461       0.42832044      -1.02731726
Li       5.86356002       2.61573004       2.73166005       0.13567844       0.18400204      -0.15711873
Cl      10.87419995      10.62160002       8.48678999       1.06578839      -1.39702616      -0.91448289
Cl       1.84978005       5.51893000       1.26895995      -0.84120658      -0.28893451      -0.56584256
Cl       5.47376005       4.76006998       3.80002996       1.07486001      -0.82442372       0.09895940
Cl       4.47184995      10.71110005       7.49394997      -0.61777994       0.28383783      -1.00789142
Cl       1.15309999       8.36273995       5.86313997       0.02439301       3.33287948       0.49955442
Cl       7.70312998       8.61926995       2.32673996      -0.63136705      -0.42215302       0.59889125
Cl       7.20662003       3.38345998      11.40430001      -1.02885487      -0.55636908      -0.03805362
Cl       1.10442002       0.25817800      11.28759994       0.03813910       0.82717879       0.72406713
Cl       8.30850003       6.14963003       4.56707994       0.32006111       0.59551812       0.90526790
Cl       5.97995995       2.77384000       7.08824997      -0.25944285      -0.95418961      -0.73874466
Cl      10.89040001       3.18819004       6.80162004      -0.21951728       0.79610326       0.18042771
Cl       2.49307004       9.06187004      10.33509998       0.44556690      -0.75975721       0.03586499
Cl       3.63936999       2.75626996       2.37086999      -0.73252143      -1.02210669       0.24372593
Cl       5.35525998      10.58019998      10.45400004       0.14184163       1.11011941       1.20026373
Cl       8.39544994       5.28771003       8.26309002       1.23334911      -0.51909260       0.95682673
Cl       8.79676005       0.10372904       0.69447296       0.58759827       0.00930374      -0.13173650
Cl      10.25799994       3.46535999      10.70360000       2.51921985       1.34899615      -1.76948209
Cl       3.12954004       6.43624999       4.58016000       0.01010789      -0.47777679       0.05405989
Cl       0.24893698       9.25215003       2.82612996      -0.13107070       0.08939812       1.39727222
Cl       9.02293998       1.60541995       4.75257005      -0.01884740      -0.30770579       0.59048411
Cl       3.63998001       2.42978997       9.87979999      -0.06350576      -1.12545508       0.10476612
Cl       9.52945996       4.10405005       2.61423005       0.29698412      -0.20815439      -0.76046865
Cl      10.92130003       7.69973002       0.22019305      -0.48501215      -0.40779019      -0.82103777
Cl       3.43989003      10.28379996       3.48088996       0.51306877      -0.29888468      -0.17330987
Cl       8.45591003       0.70780901       8.81572002      -1.12593682       0.92122972      -0.12313374
Cl       8.61169000      10.07139998       5.99091006      -0.38059357      -0.90160367      -0.51136275
Cl       6.48745004       0.37210095       2.94947002      -0.59866539       0.37481520       0.36555805
Cl       6.69037995       8.05429005       9.78048000       1.61191864      -0.78838870       0.00228474
Cl       5.21464003       5.57526994       7.99306002      -0.73321206       0.81924194       0.40234098
Cl       1.02146999       5.74753004       8.29218005       2.07378694       1.24032712      -0.47504982
Cl       1.38311002       0.53059703       5.90520998       2.65206516      -0.22734268      -0.80265977
Cl       5.20612001       5.86625000       0.80895296      -0.06397851       1.05103731      -0.08997003
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.76102521 stress="-0.011425106715675277 0.0002590265795994319 -0.0012852781854798114 0.0002590265795994319 -0.009616298109697146 -0.0036259893850524474 -0.0012852781854798114 -0.0036259893850524474 -0.004189624597473093" free_energy=-229.76102521 pbc="T T T" config_type=melt 
Li       7.65081996       8.18734999       7.92342999      -0.22334099       0.92638981       0.00708502
Li       9.35302996       1.49002005       6.56057002       0.37642445       0.71429083       1.88335237
Li       5.88084001       2.75052005       6.48752994      -0.66240157       0.40707340      -0.51619964
Li       3.45281004       2.58387000       9.09639001      -0.08848834       0.42335481       0.12466714
Li       0.08885516       1.46112995       9.81650994       0.25899005       0.40129291      -0.38581613
Li       1.19908001       5.89566998       9.31869995      -1.69154225       0.71426952       0.88731083
Li       0.68619196       7.15515998       1.63585005       1.44471449       0.60794642       0.45236971
Li       5.77283996       2.29036999       0.54446205       1.18805098      -0.72051044      -0.54853522
Li      10.46930004       5.09120000       3.68078000       0.42660951      -0.56068921      -0.48301583
Li       7.52822003       4.26338004       9.05172999      -0.14257402       0.16111083      -0.18555202
Li       2.76173006       9.17320998       6.95669999      -0.08645124      -0.24287752      -0.30014927
Li       1.96969997       3.36542999       1.45710003      -0.46036793      -0.18481084       0.27429204
Li       4.95675002      10.68500001       9.11606994      -2.31436623      -2.50246861      -2.09111711
Li       8.42167999       8.38997002       2.74658001       0.77722572       0.19700624      -0.44704404
Li       2.11820998       5.54879995       6.16521996      -1.13620295      -0.54273398       0.02996224
Li       2.05538996       1.26046997       5.53901003      -0.32728859      -0.04171254       0.15833035
Li       2.83019004      11.21780002       2.79002000       0.46965059      -0.62249362      -0.37096484
Li       5.85687004      10.52690002       5.07163002      -0.37719581      -0.12638615      -0.06778524
Li       8.08451998       0.38648301      10.09120005      -1.42088103       0.11304394       0.63320361
Li       4.58294995       4.04454001       3.43867000       0.06425475       0.45560844       0.15110375
Li      11.03930003       0.31150902       3.16618000      -0.59269315       1.28705221       0.48911304
Li       9.67666005       4.45706997       0.36725902      -0.26676853      -0.06400730      -0.06801410
Li       6.98348995       6.13826996       4.61555000       0.49616369       1.39194103       0.04023023
Li       5.87318004      10.08009999       1.36404997       0.25820376      -0.28645052      -0.23955568
Li       3.91423001       7.78863001       3.35501996       0.16197888       0.36937909       0.13726520
Li      10.83390003      10.00090005       8.12899004       0.84413773       0.80302500      -0.46725822
Li       4.90017002       6.18884005       7.34951999      -0.19136568      -0.10270631       0.45433830
Li      10.32889998       6.25458001       7.12214996      -0.15599650       0.07004200      -0.00799038
Li       4.76339003       5.27852003       0.14362702      -0.47709597       0.12947656       0.19055386
Li       1.62653005       9.63171996      10.82789997       0.61854095       0.27743749       0.34391459
Li       9.22314001       8.12649002      11.11779997       0.22172078      -0.00270561      -0.01962841
Li       7.92462996       1.39827004       3.28052003      -1.27005186       0.94432568      -2.25098793
Cl       4.12837003       3.10598003       1.42418000      -0.54189243       0.51176553       0.67188311
Cl       0.70129306       3.85571999       4.35362995       0.26852378       0.79364256       0.50844962
Cl       0.00931989       0.56618801       7.06731997       0.75598714       0.35276574      -0.82036722
Cl       5.98799996       0.46260503       2.42431004      -0.00350644       0.87281656       0.91936529
Cl       3.40871005       6.54614004       1.63100994      -0.90583660      -1.06074327       0.09006077
Cl       6.69743002       5.80425002       0.78084496       1.22351416       0.15382029       0.25376260
Cl       7.85975004       9.73133997       0.49858395       0.57583383      -0.46790724       0.01778108
Cl       7.25392005       2.19175001       7.88583002       1.58901390      -0.25208494       0.47246894
Cl       3.95600000       5.86471000       5.31643998       0.66849373       0.87514816      -1.19596646
Cl       8.81344998       2.51920000       1.28239001      -0.03536588       0.00838992      -0.14749818
Cl      10.17260000       4.65709999       8.91584996      -0.08711573       0.10711795       0.34341107
Cl       3.82559003       9.52289001       1.37261997      -1.02859893       0.57603298      -0.15308427
Cl      10.96000000       9.86132003       2.76109998      -0.15977721      -2.10354075      -0.48414936
Cl      10.30189999       6.30580001       1.66352998      -1.40065457      -0.90681081       0.07920048
Cl       7.13542995       6.23638998       7.69754997      -0.15373281      -1.42395815      -0.19590723
Cl       3.91314996       1.76474994       7.01311995      -0.37589325      -0.21652040      -0.47871545
Cl       0.56189395       7.84701002      11.08899998      -0.16341633      -0.33893742      -0.99231223
Cl       8.98438996       0.80155999       4.75884995       0.73358624      -1.38487916       0.00091397
Cl       1.02033996       7.30880002       6.92426995      -0.77252614       1.03923686      -0.17825572
Cl       1.33866003       2.95687996      10.77329996       0.23110114       0.12850014      -0.06224930
Cl       4.93648003       4.23492994       9.67554997       1.47837462      -0.87034615       0.38096846
Cl       6.69424994       8.71342001       4.00734002      -0.53868040      -0.41193641       0.25961885
Cl       3.19896004      10.15479998       4.79113004       0.31587669      -0.03358436       0.44615508
Cl       1.41546004       1.38558000       2.87729000       0.59230805      -0.03814700      -0.21243439
Cl       2.73871001       5.26248002       8.28948996       0.94020108      -0.84094253      -0.84990662
Cl       5.59515004       9.14392998       7.72404002      -0.14105198       0.04485522      -0.71167181
Cl       2.42582997      10.22850006       8.87428999       0.06315488       0.40036621       0.26616148
Cl       5.81803995       0.43209995      10.14260004       1.49094989       2.91115174       2.83436669
Cl       6.43312999       4.21499001       4.84209002       0.02748775      -2.13732804      -0.40362245
Cl       9.29336996       6.27114005       4.87599002      -0.53275521       0.80454802       0.86084732
Cl       9.98134004       0.10696196       9.57361005       0.57448252      -0.36781473       0.56014105
Cl       9.58625996       8.50656003       8.81164000      -0.40967918      -1.11819008       0.11310659
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.5353298 stress="-0.009208144563134048 -0.007045670672914615 0.007204655529323775 -0.007045670672914615 -0.017586271753192217 0.0005796026842136281 0.007204655529323775 0.0005796026842136281 -0.012486066267782104" free_energy=-228.5353298 pbc="T T T" config_type=melt 
Li       9.63857996       8.68556995       4.21036004       0.34015368       0.41317534      -0.71532662
Li      10.64200001       0.49090701      10.05920004       0.81897355      -0.52126925      -0.50267373
Li      10.00409996       3.73339004       8.45509997       0.06870818       0.01441707       0.13711053
Li       8.81009003       6.79464001       9.56343000      -0.10314345      -0.24238213      -0.43748393
Li       7.26361998       1.40030999      10.37650001       1.63349949      -1.92970756      -3.86647372
Li       2.09235000       9.29159002      10.07970000      -0.08898862       0.69078400      -1.18645109
Li       4.76385996       7.47526996       9.32172996      -0.55797465       0.04069709      -0.20847779
Li       4.23012996       0.68849605      11.29650001       1.17309638      -0.34985761      -0.47230447
Li       0.24646804       6.01483005       2.87100001       0.62823625      -0.27417065       0.62278014
Li       0.32748094       7.11671004       7.65800004       2.05331913       1.38541938      -1.82126573
Li       6.59504001       8.54702997       5.52666999      -0.50527395      -0.22661536      -0.24831788
Li       0.58049405       2.54106995       0.99144000       0.05211649      -0.07390583       0.21721616
Li       2.19311002       3.91862002       9.80337004       0.96902552       0.94426694       0.45279850
Li       7.97253001       6.70302998       1.62862996       0.70997244      -0.30994595       0.36095933
Li       2.70377995       1.58931998       3.86498003      -0.51349457      -0.17221115       0.03035773
Li       1.24177001       3.29434996       6.19265995      -1.14105655       0.18879521       0.15363708
Li       1.20668002      10.39659999       6.72707997      -0.23778728      -0.37438309       0.12127885
Li       9.52706003      10.36819999       7.39475999      -0.13091759       0.21742503       0.10504603
Li       6.00400994       4.31082004       9.94081002      -0.47586611      -0.59006832       0.38563378
Li       7.99910995       2.87877004       1.91876005       0.42938691      -0.31563278       0.05530977
Li       0.28306202      10.60569998       3.23973998      -0.10853218      -0.04323122       0.14890437
Li       4.78327999       2.11199003       6.91084000      -0.23889962       0.20198855      -0.46141106
Li       8.96428001       5.04315000       5.34170003       0.10832993       0.19296812      -0.51723720
Li       9.64906003       1.58373997       4.98539995      -0.33294621      -1.57573077      -1.35237545
Li       5.44158004       8.90216000       1.48029995      -0.47218758       0.72820793       0.32184326
Li      11.03439997       8.52934998       0.97614997      -0.29222391       0.08802313       0.20008699
Li       5.79794994      10.62080004       8.44606004       0.83481941       0.77359585      -1.14160745
Li       3.34661997       5.48723998       5.72134001      -0.67166024       0.16273473       0.26271920
Li       3.45775998       6.14708003       1.06930998       0.23386907       0.45556173       0.01062726
Li       3.45410000       9.12482005       4.63382005      -0.36485575       0.01303461       0.08884578
Li       8.05926004      10.30370000       0.16940698       0.53480750      -0.38303598      -0.06309216
Li       6.44926000       0.09746793       3.37281998       0.36169144       0.07264318      -0.33464674
Cl       5.42827002       9.70751995       3.68425999       0.03005309      -0.23753731       0.76404134
Cl       1.70545004       4.88483001       1.43060000      -0.21652712      -0.62070283      -0.18057631
Cl       0.59796401       5.38913005       5.34091002       0.52320759       0.48057056       0.05508149
Cl       2.41267001       0.87234103       0.79714900      -0.78144657       0.17808428       0.49948289
Cl       1.69372002       8.22931006       3.44395996      -0.55309782       0.77129586      -0.62885048
Cl       2.75045001       8.12953998       7.78778005      -0.73509738       0.19830000      -0.27963722
Cl       5.97835002       7.00003004       0.86939999      -0.21339209      -1.08480134      -0.49353169
Cl       3.32234998       3.26033005       5.60766995       0.66934562      -0.52555591      -0.41703198
Cl       6.66745999       2.24056996       0.36793495      -2.23836019       3.42324325       2.87260217
Cl       4.60413995      10.08169995       9.91115995      -0.75218286      -0.17622002       0.92354499
Cl       2.73995996      11.30379106       5.53444003       0.59498088       0.28172091      -0.30159107
Cl       3.16116002       7.75591003      10.90390000      -0.49238870      -1.56283580       1.69020977
Cl       4.01800994       4.82419004       8.91139001       0.18359667       0.17378587       0.13082127
Cl       9.31885999       8.19439995      11.00489997      -0.39537549       0.66684241      -0.24394090
Cl      10.07989994       3.13298002       6.11548001       0.05843196       1.12818373       1.69523322
Cl       5.48396005       1.48613996       8.77195995       0.08266224       0.15111785       0.36353608
Cl       8.51351999       4.70535005       2.83193994      -0.00783453       0.51309245       0.20777868
Cl      10.40249997      10.47649995       5.27052003       0.35959977       0.22271490       0.40147833
Cl       8.47597000       7.39224003       5.30860999      -0.44187859      -1.13061938       0.80644469
Cl      10.70549997       6.05393001       8.77604994      -0.89483512      -1.60216505       1.30877634
Cl       0.62852595       2.83749003       9.26835995      -0.23466971      -0.69280315      -1.50487935
Cl       7.56019998       1.88018997       3.89357000      -0.15219877      -0.44299343       0.65939312
Cl       7.40966997       9.87584997       7.16746000      -0.78834660      -0.37075126      -0.14216602
Cl       0.25558604       1.45758003       3.57932995       0.48224127       0.42420327      -0.40546404
Cl      10.04870002       7.29976995       2.49270995       0.39153943      -0.54187846       0.00783009
Cl       8.84688005       0.59481695       8.96091994      -0.97469013      -0.01831347      -0.47259044
Cl      10.17280005       2.05868996      11.25871007      -0.77171277       0.93036022       2.28633544
Cl      11.40950617      10.22530003       8.60390002       0.89200932      -0.45309985       0.63683454
Cl       9.38459995      10.10449999       1.96929998       0.63541761       1.26674968       0.41482358
Cl       7.56627995       5.16171003       8.84603994       0.16093600      -0.11872500      -0.43910361
Cl       6.20486998      10.95380000       1.13568002      -0.18926286      -0.05705511      -0.67679289
Cl       4.37483004       7.15340995       5.01633000       1.05507872      -0.37579815       0.11589823
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.0493864 stress="-0.004031938411867757 -0.0036848393325400845 0.0016144580606278188 -0.0036848393325400845 -0.012509488467003352 -0.0012106228269836456 0.0016144580606278188 -0.0012106228269836456 -0.012062906841287994" free_energy=-229.0493864 pbc="T T T" config_type=melt 
Li       0.57890900       8.56768000       3.69059996       0.59938333       0.40848697       0.12398753
Li      11.26230000       2.41883997      11.26389903      -0.55141229      -0.53857962       0.27962465
Li       9.22119005       6.94218002       7.29679004       0.16356107       0.47746442      -0.13324814
Li       5.10944002       4.08357003       8.50617001      -0.05536544       0.58612597      -0.34322440
Li       4.91437999       0.92830804       3.08255002      -0.43054846      -0.01564146       0.36095863
Li       8.69742997       9.33499997       4.63919004       0.36662676       0.12079032       0.26635785
Li       6.42187000       7.55302999      11.17110004       0.06594456       0.27547009       0.86514217
Li       4.27501996       3.73164002       4.88009996       0.69395287      -0.16627503       0.08657526
Li       3.11052997       0.99118698       6.90700004       0.89985147      -0.20756370       0.31260313
Li       8.16315004       5.42237004       3.39155995       0.05257682      -0.21086126      -0.29580322
Li       2.96350998       6.50987004       6.66010003      -0.05107699      -0.42125764      -0.88684793
Li       6.72919995       2.70346996       0.09139026       0.36554932      -0.06005528       0.55792876
Li       2.95382003       3.10481996      11.37969996      -0.65824211      -0.12397822       0.87035014
Li       5.25117005      11.43430673      10.60220005      -0.10463705       0.02651673       0.77703783
Li       9.03819997       1.79335000       4.53926003       0.14941951      -5.44630365      -0.80669690
Li       2.60126006      10.47150003       1.45947004      -0.08139293      -0.00560927      -0.40247058
Li       0.62755698       9.30804997       7.50155996       0.50335608       0.69317549       1.83293316
Li       0.82731003       3.50589998       6.95261997       0.11682074       0.35284301      -0.09658179
Li       5.90873994       8.03460003       6.74534005      -0.18049993      -0.44597841       0.23808593
Li       1.24285006       1.45109997       3.60401003       0.10474691      -0.55457303      -0.59391476
Li       3.26466000       9.63160005       5.05124997       0.71986414      -0.48009538       0.27584674
Li       8.25389004      10.93550003       1.01574003       0.50434193       0.37782523       0.27077771
Li      10.04769999       0.85345397       8.60399001      -0.22579183       0.50566331      -0.20076680
Li       5.07282998       8.20458000       2.95251998       0.62947592       0.06417250      -0.39459242
Li       1.23096997       5.25589000       2.91426001      -0.00733227       0.21406112       0.06909092
Li       7.91335002       4.16382997       6.42160002      -0.04212920      -0.09325309       0.58985448
Li       0.51665395       5.15446002       9.69884997      -0.82860916      -0.17839278       0.80611785
Li      10.11229995       6.09731004       1.11934995       1.95642101       1.45655621      -0.61010370
Li       2.31230001       7.79000996      10.65690003      -0.19702803       0.18674543       0.16891089
Li       6.60736996       0.69546496       6.75872001      -1.28641753      -0.15654865      -0.05405274
Li       8.17170996       9.24561000       9.10672999      -0.82170178       0.12381384       0.40749346
Li      10.88410004       9.61750999      10.56190001      -0.08647336      -0.56417300       1.56759682
Cl       8.61512000       1.15964999       6.82176002       1.02394079       0.31503991      -0.31713028
Cl       8.71812002       9.05613996      11.46122303      -0.76693674      -0.45909171       0.02159156
Cl       8.61665999       4.90454994       1.01056001      -2.47969411      -1.45705467       0.05279900
Cl       2.24121001       4.57994000       5.17254996      -0.33103170       0.43055216      -0.21288822
Cl       5.74416000       2.92393999       3.29072003       0.01614159       1.00385040       0.60728029
Cl       0.60765694       4.18207996       0.78067506       0.21846463       1.02593511       1.27447854
Cl       7.94198997       8.73013997       6.87215998       0.72686604       0.38726175      -1.29621858
Cl       6.31794997       0.62295201       1.37992994       0.10561851      -0.64254896      -1.29251719
Cl       1.42707003       1.50526995       5.80394003      -1.24294406       0.18147226       0.44319015
Cl       7.34019999       8.42981997       3.17880997      -0.29517766      -0.37756437       0.02692576
Cl       9.02041004       3.54036997       4.73796994       0.49670541       5.61427381      -0.52540247
Cl      11.27160005       8.60997001       5.89510995      -0.81236486      -0.70767795      -1.65245498
Cl       4.84355997       2.31547000       7.36329994      -0.12820966       0.97524450      -0.49100259
Cl      11.37540005       7.37585998      10.83039998       0.24651214      -1.07140486      -0.19974809
Cl       2.93385006       1.59417005       1.77564995      -0.26749546      -0.10426918      -0.10339913
Cl       6.09895998       5.43569004       5.98054004      -0.13080597       0.25311571       0.27741179
Cl       4.84323003       3.36450998      10.51050002       0.94924728       0.20819059       0.37252544
Cl      10.05029997       0.13596797       2.70181005      -0.21636370       0.13584669       0.67497645
Cl       3.74680004       8.49848998       6.78778999      -0.26951209       0.22373379       0.78142675
Cl       9.50367003       1.06459999      10.70650000      -0.33161113       0.89841619       0.68451967
Cl       6.11949996      11.32840005       8.73175001       0.38249310      -0.76705375       0.42334691
Cl       4.64026997      11.45939998       5.47637998       0.57544951      -0.43612624      -0.78241511
Cl      10.14780001       5.07320005       7.70359004      -0.00141361      -0.78501423       0.15067074
Cl      10.92919995       6.84001001       2.99401001      -0.17026185      -0.36419065       0.38027162
Cl       1.49031996      10.07640001      10.85009997       1.20251091       0.64148011       0.02670777
Cl       4.15784000       8.25896001       0.77696097       0.76078054       0.30310814      -1.24851460
Cl       1.94137002       5.92019998       8.41143998       0.80954957       0.21798362       0.11861024
Cl       3.11273994       7.70215999       3.42021996      -1.07295217      -1.13545528       1.34935589
Cl       1.44413003       2.68604001       9.88287998      -0.10293827      -0.55847027      -2.10462392
Cl       6.25266995       7.72052003       9.10783996      -0.29668226      -0.62394924      -0.04707800
Cl       2.18061005      10.55329996       3.64001004      -1.73221822       0.93796693      -1.04252859
Cl      10.09649999      10.21899995       8.82671002       0.85109941      -0.46417150      -2.25913738
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.29232982 stress="-0.014852123405794239 0.004592113980745961 -0.0031476007978957525 0.004592113980745961 -0.015317565530163552 -0.0007567005686268469 -0.0031476007978957525 -0.0007567005686268469 -0.020505624488263662" free_energy=-226.29232982 pbc="T T T" config_type=melt 
Li       1.31192005       8.07765999       6.51229004       0.73412002       1.20811577       1.24400136
Li       6.60233003       5.37341000       9.65792994       0.83846401      -0.14599553      -0.68219397
Li      11.29610002       6.53254994       4.22476995       1.00927363       1.12069997       4.08703200
Li       1.61080002       1.41300004       7.48268001       0.36501180      -0.80180945       0.18225978
Li       0.05324356      10.47180005       3.11509998      -0.30983067      -0.22440316      -0.11566493
Li       8.10852997       2.50039996       8.66588004      -0.99623546       3.33667756       0.13413487
Li      10.52970005       4.85379998      11.29820005      -0.61632686       1.44425000      -1.11753800
Li       4.35194998       1.33347003       5.34193997       0.25000319      -0.01677615      -1.30320723
Li      10.14689995       1.66479002       5.12879000      -0.72630615      -0.65784203       0.50363770
Li       5.29260998       2.62521994       0.84247704      -0.52639884       0.54605416       0.02608185
Li       3.88917998       4.97369996       3.76554001       1.02289605      -1.28949218       1.01833990
Li       1.51070998       2.03560995      10.62670002      -2.40766480       0.62006635       0.58584998
Li       3.91440002       3.28245004       8.54821996       2.07276899      -0.27898414      -0.33337577
Li       9.12331995       1.17367000       0.87349503       0.37570989      -0.06377405       0.20752260
Li       6.89065003       4.19398997       5.66395005       1.05757550       1.55648111       3.36314616
Li       4.01284998      10.85830003       9.53013005      -0.67127713       0.22965904       0.22124931
Li      10.20809994      10.95340001       8.59472997       1.60674923      -1.50374732      -0.20752694
Li       1.00010000       2.69907994       3.11579999      -0.39335709       0.27313078       0.01382344
Li       5.55709998       7.90249003       6.78629997       0.86045520       0.85047445       1.07241537
Li       3.61782999      11.06890000       1.24700999      -0.03116579       0.29587796       0.31326703
Li       3.59805995       8.60364001       3.76506998      -0.07029385       0.03377830       0.16238973
Li       9.10205004       9.20415998       5.53569995       2.43165098      -0.34351930      -1.15371772
Li       7.31777001      11.12469997       3.73622998      -0.21730754      -0.50628360      -0.29426975
Li       8.57330002       4.87149006       2.77564001      -0.31805466       0.57251641       0.24521377
Li       4.75376004       6.87879000       0.81331902       0.18818078       0.52045163       0.02647167
Li       9.35979996       5.88669998       7.69151999       0.33808846       0.50940556      -0.50352967
Li       9.14532002       8.35928003       1.13411996       0.35356014       0.23125011      -0.06618045
Li       1.52179995       6.55740003       1.57399005      -2.39581292       0.29292505      -1.66215867
Li       1.05579003       4.89834995       8.49298001      -1.22732432       1.76983955      -0.04505644
Li       7.74981001       8.98717005       9.21282996      -2.81231302      -1.31928882      -1.94014527
Li       6.96086003       0.05981993       7.24733004      -0.20358369       0.15287025       0.50696333
Li       0.60877895       8.98147998      10.21040002       0.16282208      -0.17847380      -0.28547268
Cl      10.75869997       5.97852003       2.59776001      -0.84579312      -1.21058997      -4.41862141
Cl       1.13164000       8.39063999       4.57580999       0.12720928       0.98890098      -2.01596409
Cl       7.61078004       6.70116004       1.13102999       0.18585375      -0.06483241       0.26218317
Cl       5.31204996       4.99592003      11.23139998      -1.22887296      -0.94361873       0.44179984
Cl       9.08086004      10.02989997       3.03005004       0.00832827      -0.47205180      -0.01915848
Cl       7.06630000       1.61296001       0.26474405       0.30026294      -0.22738301       0.10689677
Cl       6.40390994       3.54185999       7.83946996      -0.73094884       0.39454322       0.09663743
Cl       8.85062004       0.83654405       8.79338004      -0.50827245      -1.07953986       0.16049255
Cl       0.03291188       3.39909003       0.79203203       1.11635850      -1.49778101       0.00644180
Cl       1.62339996      10.78440002       8.97313995      -0.62140092      -0.22621739      -0.17276869
Cl       9.43030999       4.35593003       9.13278005       0.39577066      -0.78778243       1.01566480
Cl      10.64410004       1.47607994       3.03662996      -0.61741850      -0.79095578      -0.69758177
Cl       0.47948904       6.58141002      10.20850005       0.30462181      -0.29233545       0.87193134
Cl       6.80084001       0.95516106       5.25382001       0.12505473       0.68487852       0.42740821
Cl       3.25152996       1.27796996      10.88101214       3.02739417      -0.98274445       1.63231974
Cl       5.09502002       6.60708003       5.28367002      -0.64554993      -0.44875294      -0.73185472
Cl       3.73762002       9.20163004       0.21522099       0.23136203      -0.74111548       0.05131007
Cl      10.67859996      10.91309997       6.45383998      -0.15611052      -0.76466197      -0.82548547
Cl       0.51962205       2.24385998       5.86787001       0.77779460       1.26636913      -0.09961044
Cl       4.06844005      10.91000003       3.66322005      -0.06943210      -0.41105113      -0.33694014
Cl       1.94902002       3.18675001       8.91786996      -0.89563717      -0.29894352      -0.06298602
Cl       6.35413995       3.59588999       4.02817005      -0.82708239      -0.19730484      -4.27318529
Cl       7.38970000       6.78510998       8.17006002      -0.34985818       0.67248600       0.14891897
Cl       3.09039996       2.75622995       3.44456000       0.71650265       0.27033035      -0.06575840
Cl       5.39359997       9.55102003       8.60622005       0.18145770      -0.29735111       0.03381449
Cl       3.09606996       6.50011004       2.71013999       1.28398987       0.86990323      -0.20810935
Cl       9.19483998       9.63906994      10.18710002       2.38290358       0.39502653       1.89368188
Cl       0.35864498       6.47951997       7.12940994      -0.06070654      -1.07911440       0.37584240
Cl       9.50024003       5.87095001       5.43971996      -1.35404763      -0.40774936      -0.53477558
Cl       7.46118999       9.61293001       6.39338998      -1.70816313      -0.58415843       0.52888004
Cl       0.09597609       9.27005999       0.80944501       0.21433852       0.26826178       1.43901864
Cl       4.15261997       1.24867999       7.40705004      -0.50398587      -0.23879874       0.76579538
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.42485314 stress="-0.01218802035087092 0.0001884604643957616 -0.007821567009099625 0.0001884604643957616 -0.006014851499448369 -0.0012776244038425054 -0.007821567009099625 -0.0012776244038425054 -0.007834417458752123" free_energy=-228.42485314 pbc="T T T" config_type=melt 
Li       1.69760996       7.95080004       6.15496001      -0.68383425      -0.11007841       0.79755691
Li       4.10763998       6.40446997      10.21700001       0.00410862       0.40849559       0.07699197
Li      11.26019997       4.73774994       6.90810004       0.12479389       0.30763943      -0.16877267
Li       0.71659099       1.03773998       6.31252003       0.03083239       0.30863321       1.07905291
Li      11.21890001       2.44507002       3.83053996       0.13943206      -0.49228813       0.35468500
Li       5.99615003       1.26343004       9.59478996       0.44630975       0.06296257      -0.89359676
Li       8.70718000       2.80579004      11.00690003      -0.47887711      -0.56057340      -0.30939188
Li       3.13924995       3.87084997       3.60864996       0.62855698       0.63617166       1.56659066
Li       8.12905997      11.14860002       6.29183996      -0.25983018      -0.10635524      -0.13716453
Li       6.31153995       1.80835995       2.38322000      -0.39823854       0.17993870       0.32854708
Li       5.83700003       5.83850002       2.39829002      -0.56486662      -0.35254336      -0.33936256
Li       4.41090997       3.62264005       0.10316201       0.20111686      -0.03546271       0.63367108
Li       3.22848997       3.21233003       7.89533998      -1.99159725       1.32507586       0.27356137
Li       1.29423995       2.73544005      10.85589998      -0.89671469      -0.48791069       0.50470729
Li       4.30741996       1.19146005       5.30602995       1.89371897      -0.96272547       0.16468006
Li       5.11209996       8.96407996       7.31513999       0.06085410      -0.04633958      -0.26606380
Li      10.81629995       8.85067002       8.08635002       0.52036743       0.11987550       0.53337143
Li      10.07490003       5.65679003       2.52909998      -0.84019225       0.44130570      -0.53939967
Li       7.37850995       2.80686000       5.91012001       0.27293846      -0.06575187       0.43864393
Li       3.47138997       0.64293597       1.26753001       0.57836353       0.22235654       0.98003965
Li       2.42490997      10.01599999       4.18956005      -0.09951553      -0.00616024      -0.26141797
Li      10.40209998       9.85676000       3.76823997       0.80705967      -0.10009151       0.39446976
Li       0.09721996      11.02129996       0.83705501      -1.02160238       0.83722978      -0.85067313
Li       8.98154005       8.43345002       0.88438002       0.55977089      -0.43626519      -0.51326108
Li       6.19212995       9.90112000       3.61836995       0.38801588       0.00443895      -0.82656934
Li       7.86122997       7.06234001       6.01594002      -0.17396783       0.80076294      -0.57440168
Li       7.94794005       5.39665004       9.49348000      -0.21456649      -0.36498859       0.51968921
Li       1.58655995       7.63304001       2.29947996       0.22992359      -0.35411618      -0.07621446
Li       0.21505098       6.57149995      10.52019995      -0.53567284      -0.33097551      -0.12133130
Li       9.90968003       0.64315597       8.76643003      -0.14126243       0.24016730      -0.74562632
Li       7.38337997       8.94308003       9.20287002       0.28018037      -0.87231229       0.02132675
Li       2.41235004      10.44320000       9.68930000       0.21558728      -0.29889075      -0.30563397
Cl       6.61791997       1.12280999       4.78442997      -0.07741924      -0.09640297      -0.05155568
Cl       2.56927001       3.29565998       1.86113003      -1.27875590      -1.23828735      -2.40992076
Cl      11.06840004       7.15154001       1.17335004      -0.14232859      -0.25047765       0.07370029
Cl       5.34668997       3.77943002       3.29975996       0.47007404      -0.16934006       0.20928793
Cl       9.10397994       8.97427996       6.95503996       0.28120879      -0.67634195      -1.11864630
Cl       7.64813996      10.97579996       8.69800995      -0.56710115       1.30212320       0.08956219
Cl       3.61398005       8.59705000       5.71606999       0.22032607       0.17286061      -0.44017873
Cl       4.26159999       8.81736996       9.36166004      -1.96637737       1.92865640       1.11314341
Cl      10.21590001       4.20369998      10.75960003       1.37025930       0.84984897      -0.10783172
Cl       1.06561997      10.33030000       7.76545004      -0.08953845       0.75410456       0.10480903
Cl       9.95409002       0.54794902      10.86780002       0.03818882       0.11771947       1.09669646
Cl       0.68546100       0.21826098       4.43689995      -0.75420170      -1.05294559      -1.50893737
Cl       3.69373006       6.54696994       1.73814995       0.08707341       0.32246123      -0.43723446
Cl       4.66954997       1.97386999       7.69352005       1.43816916      -1.84936336      -0.02040382
Cl       1.90969994       0.46447003      11.40020004      -0.40774698       0.65516204      -1.74718822
Cl       7.64895999       6.09478996       3.46160005       1.24358836       0.54514771       0.77174374
Cl       1.24631995       9.79323997       1.89644001       0.95939838      -0.69421182       0.62149970
Cl       6.01503996       6.93453002       8.81471002       2.17504595      -1.82917170      -0.67192523
Cl       9.51145003       1.56760995       5.68414002       0.06389323       0.02589492       0.09002127
Cl       4.55319005      11.16839998       3.11525005      -1.19518249       0.00372694      -0.46475597
Cl       2.61832005       4.22948005      10.24940001       1.05520502       1.12393406      -1.24923987
Cl       0.10209503       2.77129998       7.75762005       0.66573098      -0.13991994       0.56555037
Cl       7.06622995       4.26369004       0.11527895      -0.82219193       0.84725320       0.80472788
Cl       2.68591998       2.25316003       5.10521004      -1.57665711       1.74385266       0.51420803
Cl       9.63619997       7.97226003       9.88740998      -1.14532682       0.06598630       0.94875341
Cl      11.08059998       4.62724999       3.99877999       0.54246682      -0.48119022       1.18256137
Cl       8.56189994       9.68697997       2.59168004      -0.42931719       0.42181432      -0.08072429
Cl       0.66868199       7.10165996       8.28310000       0.77440409      -1.33138847      -0.66053556
Cl       7.43071002       3.08229999       8.79500005       0.65095855       0.04872763      -0.85536264
Cl       6.64974997       9.32949999       5.51220001      -0.24238806      -0.60400932       0.94980248
Cl       0.56660198       8.04335003       4.30202006      -0.52721072      -0.18297173       0.59871315
Cl       5.29467000       1.46609994       0.17491499       0.10456041      -0.24447669       0.35095598
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.24001899 stress="-0.01762801489132802 0.003915137312931137 -0.0016179870223706114 0.003915137312931137 -0.012282410524860907 -0.00571676155493181 -0.0016179870223706114 -0.00571676155493181 -0.005489629661184481" free_energy=-227.24001899 pbc="T T T" config_type=melt 
Li       7.61159997      10.50299998       1.47724001      -0.19155201      -0.18759802       0.00017731
Li       6.21478005       1.25859005      10.20680001       1.74490122      -0.84616248       0.66214543
Li       4.74731998       9.10500003       3.38345000       0.44743611      -0.10427960      -0.33150099
Li      10.49890000       8.80410005       7.04181000       0.05382845       0.43810520      -0.23705605
Li       3.65444999      11.21429997       7.03165999       0.25335586       0.44301540       0.19391487
Li       5.63029998       2.76456001       2.65446005       0.45173902      -0.96493697      -1.05367714
Li       8.98217002       0.41146402       8.81584005       0.15247687      -0.39850371       0.15548365
Li       8.09598999       0.36380104       5.77031002      -1.52664681       0.40874280      -0.79529821
Li       1.12034001       9.78149998       4.53517004      -1.86053244       1.21228630       0.16500842
Li       8.15946003       3.08855994       7.00136001       0.21937907      -1.46342875      -0.05498175
Li       7.98732994       4.50642003      11.18849995       2.38408293       0.32873245      -0.71291522
Li       2.14154002       4.03563994       7.63230996      -0.33616751       2.13504376       0.52143791
Li       5.01735995       2.52422995       7.36939997      -1.01201255       1.71112374       0.65988703
Li       2.62677003       0.63473798       1.83036999       0.49473693      -0.14003754      -0.23308010
Li      10.82929998       2.64093999      10.27960002       0.00129748       0.00492755       0.02522050
Li       7.19423001       8.73231004       8.86391998       0.22701653      -0.05370227      -0.67543727
Li      10.13900003       5.60753994       8.07594997      -0.04221640      -0.14028148       0.06622605
Li      10.38499997       4.62491001       4.84914996      -0.20152892      -0.14689429       0.23472820
Li       1.58509997       8.79656997       9.26160004      -0.25055657       0.08360789      -0.21113690
Li       0.13306200       0.98165203       6.63992003       0.69611157       0.68075781      -0.04641869
Li       6.30976998       5.74414005       6.44297998      -1.48848698       0.83813547      -0.79470001
Li       4.19006001       4.64597999      10.87510001      -0.30477280       0.39050354      -0.57690525
Li       3.34911999       8.58715002       0.04429958       0.53291344       0.02927184       0.09455965
Li       2.46868999       1.00990001      10.01029995       0.06008827      -0.26911078      -0.05425058
Li      11.07949999      10.49569998       0.50129101       0.03763182       0.44796985      -0.08487194
Li       8.60962001       8.26231996       4.51905000      -2.82859861       0.68605336      -0.52128636
Li      10.97190004       1.80566000       2.48991003       0.12057412       0.21300527       0.17601300
Li       0.07968512       6.99297996       2.62665000      -0.00147604       0.28322304       0.30704137
Li       2.41689999       3.52238000       3.81264995      -0.91850452       1.56129325       1.17405849
Li       5.81670000       6.12015995       2.82774000       0.18457498       0.45182218       0.17932968
Li       0.63458402       6.41021002      10.68380004      -0.46637403      -0.29597376      -0.14025860
Li       3.15456003       7.11209005       5.72485002       0.81888132       1.89021439       0.02951558
Cl       3.58523004       2.24781997       2.90260003      -0.04338714      -1.03571419      -0.92203870
Cl       9.78386002      11.31620000       6.67300996       1.40417576      -1.90295286       1.51838393
Cl       4.56284997       2.06694997       9.58765998      -2.28702826       0.46105478       0.00706303
Cl       8.10443997       4.98028997       6.49322998       2.76693187       1.43817359      -0.59032748
Cl       4.83532002       7.18628997       1.11334003      -0.53418949       0.27191435      -0.32576769
Cl       5.49728005       4.27997998       3.90087997       0.80630543       1.14886349       1.27687184
Cl       8.31375995       8.68049001       6.68817995      -1.48137426      -0.08422869       1.43074205
Cl       3.27717005      10.15110000       9.37923994       0.56063889       0.31129159       0.77472644
Cl      10.33970002       7.60495000       4.85727997       3.99043191      -1.25690844      -0.20960794
Cl       8.85824998       2.66354996       9.03149004      -1.15614647      -0.80279627       0.76810328
Cl      11.37400003       4.81655002       2.69725001       0.12868822      -0.68953608       0.34684062
Cl      10.85060004      10.96900003       9.71832996       0.42344151       0.09109273       0.19672812
Cl       7.22742002      10.61060004       9.93740995      -0.04406790       0.42069564       0.35992983
Cl       4.96068995      11.12259995       1.90485995       0.54669723      -0.68198898      -0.23952345
Cl      11.23719999       3.68654998       7.47622001       0.39372776       0.62460764       0.00270323
Cl       2.64023001       5.27992005       5.37059001      -1.02735858      -1.67831994      -0.19058453
Cl       2.44012994       2.31362998       6.75344002       0.56993486      -2.75229212      -0.68570443
Cl      10.17760003       4.85430006      10.92369996       0.40341712       0.45860962      -0.06599981
Cl       5.74804994       7.39711005       5.06725995      -0.56950025       0.62869079      -0.31232057
Cl       6.17647995       4.15630997       0.15783700      -1.80033594      -0.87084146       1.11681755
Cl       0.95291096       0.11346198       3.06549003      -0.74292090      -0.63268456       0.83825210
Cl       5.57357002       0.91253400       6.41634995       1.49035872      -1.87835689      -1.14041978
Cl       2.72108001       8.81925996       4.12772001       1.81582889      -2.11761016      -1.88756547
Cl      11.20360002       7.69697997       8.81508994      -0.78364202      -0.68810935      -0.32654965
Cl       1.95566999      10.03019999       6.51967005      -1.36388068       0.34209860       1.30499882
Cl       5.36786002       4.66020005       7.94277998      -0.63224338      -0.06632649       0.79173639
Cl       9.46948997       2.10559996       5.15587998      -0.25010364       1.52808559      -1.37842638
Cl       9.40243000       0.73273900       1.43241995      -0.94759816      -0.65814814      -0.28062090
Cl       0.97854096       1.61617998       0.34872999       0.53393846       0.42716860      -0.84468431
Cl       2.43143005       5.95950997       9.47884998       0.60920156      -0.50294323       0.20727704
Cl       7.89507000       8.15674002       2.41339994       0.11541504       0.63401270      -0.44718693
Cl       1.11593004       8.36479996       0.28891797      -0.34695599       0.28647269       0.78518166
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.01405369 stress="-0.0149998184831833 0.004083000909558647 0.0025074963632873404 0.004083000909558647 -0.005813283815956179 -0.0017901186191119837 0.0025074963632873404 -0.0017901186191119837 -0.014524441430421352" free_energy=-227.01405369 pbc="T T T" config_type=melt 
Li      11.33489996       0.47888900       2.38919999       0.75369943      -0.33173829       0.95270454
Li       1.19993994       3.16754001      11.39810001      -0.35241576      -0.10309966       0.67382258
Li       2.46315996       0.62331795       5.97853998       0.16935224       0.10558846      -0.08633447
Li       2.03502000       7.07166001       1.50754997      -0.85641872      -0.55749912       1.08776286
Li      10.21180004       4.91540994       0.76290496       1.19011002       0.50761592      -1.06166611
Li       0.16033495       7.26658005       9.80879001      -0.61321678      -0.16371530       0.22144180
Li       4.66561004       8.73493995       3.29799996       0.20341453      -0.34744203      -0.00342098
Li       9.96281995       0.76493494      10.12950004      -0.43843167       0.10540999      -0.21061304
Li       0.24703105       3.60963005       8.76946004      -3.33299755       2.02645487      -2.68257928
Li       3.88371003       3.57894005       9.69629997       0.33644172      -0.45044490      -3.15572793
Li       9.08594995       9.04464003       1.28488006       0.03750271       0.42683774      -0.42240655
Li       8.06332000      11.22479999       3.70565004       0.20313558      -0.13458313       0.00632248
Li       8.26053004       8.72618995       9.35183997       0.00290987      -2.33872964      -1.86497511
Li       2.96206996      11.25359998       2.47333004       0.12186732       0.02693723       0.31600848
Li       6.33196001       5.53458000       6.99157995      -0.14206719       1.04469333       0.14263821
Li       7.51969003       4.11456005       9.97700998       0.38320667       0.56538574      -0.63673363
Li       1.52642006       4.42363004       3.79130999      -0.70224804       0.09418463       1.54399261
Li       9.44389000       6.93106001       3.27535995      -0.04634166       0.10457971      -0.37039489
Li      10.67440002       9.63561002       6.40134997      -0.28998099       0.17115466      -0.03405700
Li      10.32609994       6.37214999       6.71946001       0.54299960      -0.34277873       0.14700799
Li       5.44664003       2.14628004       4.93240001      -0.07535922      -0.00359389       0.15618206
Li       4.34600002       9.96570998       6.82392001       0.45464818      -0.08025596       0.16583469
Li       1.19524005       8.68321002       4.25473002      -0.99767335       0.22348859       1.90094087
Li       4.18352996       4.52961995       1.85437000       0.04224849       0.79473925       1.19182651
Li       3.93760006       6.52042005      10.41749995       0.01438397       0.06114809       0.58310068
Li       9.68225004       3.03875005       5.10761995      -0.20361192       0.05951913       0.45695411
Li       2.00869996      10.87760003      10.53490002       0.19623866       0.18036755       0.29087649
Li       8.25842004       2.55618996       1.37863001      -0.28783320       0.78017690       0.31790760
Li       7.29104001       8.84672998       5.53532002       0.25430085      -1.54251570      -1.11920302
Li       7.56441999       1.60618003       7.90499004      -1.25250766      -0.24030505       0.24876709
Li       3.36634002       6.01256000       6.17997002      -0.24607311       0.18284375      -0.47469713
Li       6.41659998       0.25735394      11.41490000       0.57843858      -0.37484783      -0.26295819
Cl       7.41593004       2.05552994      10.47209996      -0.46222912      -0.50175854       0.51802506
Cl       7.52370998       2.17569004       3.81104999      -0.22412438      -0.31810375       0.30491590
Cl       7.48361000       8.82768001       2.73933000      -0.87885827       0.25342990       0.31313738
Cl       3.55501995       4.19353999       4.21899998       1.56501985       0.15009704       0.51911535
Cl       1.83782005       7.22571001      10.98040000       0.18148737       0.34648568      -2.00375224
Cl       1.30007997       4.30714000       1.81239996      -1.54589847       0.57934049      -0.61146582
Cl       1.32892995      10.27609998       6.64111003       0.64999133      -0.12718688       0.28797303
Cl       7.24616997       3.68729997       7.45669003       0.00028621      -0.10353244      -0.31899280
Cl       0.16495895       0.21471989       0.15771995       2.97800296      -0.95208100      -1.69788199
Cl      10.15779995       9.96420002       4.07436995       0.40828209       0.30700933       0.09236088
Cl       4.62226005      10.49649996       4.78418005      -0.69866179       0.01211031      -2.88071554
Cl       8.98472002       4.78247004       2.31182997      -1.18264988      -0.71682187       1.22829017
Cl       0.05351996       4.43833998       6.63000997      -0.60214310      -1.58578429       0.22701352
Cl       3.48298002       3.89221996       0.03661989       1.00997468       0.16752915       1.58145222
Cl      10.44699995       7.34794996       0.95947300       0.09253014      -0.03073848      -0.03099628
Cl       9.36047005       0.88039205       7.40859004       2.05795415      -0.23991473      -0.04454510
Cl       8.27944003      10.19730002      10.56419997      -0.03633429       1.89740608       1.83396032
Cl      10.50049996       8.01802005       8.20607001      -0.55821827       0.69985869      -0.01719629
Cl       4.10688001       7.01908998       1.36135999       2.23118833      -0.56017962       0.61482948
Cl      10.31319999       3.58920998      10.31410005      -0.83956808       0.28580702       1.00657824
Cl       1.68430005       2.79469995       9.42959003       4.24095241      -3.00185805      -0.10765759
Cl       4.63933002       1.06504996       6.76566003      -0.56161522       1.14093760       1.17586078
Cl       3.90773996       5.80281997       8.34732003       0.20585059      -0.63123715      -0.03291868
Cl       1.66529995       1.35392999       3.99738994      -0.33927778      -0.26587388      -0.85277913
Cl       4.32059999      11.46059994       0.28575601      -1.05139266      -0.21325948       0.24474293
Cl       1.99497997       9.00534001       2.50404995       0.76931583       1.46641637      -1.23583966
Cl       5.25637999       7.66294997       5.85887995      -0.41745715      -1.04630314       0.01130721
Cl       8.78495001       6.84668004       5.37872002      -1.05279630       0.07006508      -0.03294021
Cl       9.54302002       0.92114195       1.45342997      -2.66557670       0.24802584       1.16117669
Cl       7.58556000       6.23374999       9.54664996      -0.21278797       0.84428380       0.08679650
Cl       0.74454297       6.84031003       5.32261005       0.96925317       0.61641371      -0.88154216
Cl       6.96042003      10.35710004       6.76052999       0.32177868       0.75984087       1.52336353
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.43570586 stress="-0.018791147460987843 0.004802279692583566 -0.0035319004075683494 0.004802279692583566 -0.011835889341919925 -0.002546028931543875 -0.0035319004075683494 -0.002546028931543875 -0.0017394804129699606" free_energy=-229.43570586 pbc="T T T" config_type=melt 
Li      10.66780003       0.53388797       8.73347997      -0.99291213       0.47694713      -0.84626569
Li       2.59238005       1.70837996       1.82066995       0.44409789       0.70866601       0.16841488
Li       1.84714006       3.90444994      10.72980001      -2.23883870       1.50209075      -0.59803204
Li       0.16135802       6.55328997       1.83791005       0.29949248       0.27963044      -0.03119911
Li       5.30932994       2.92798997       0.28634997       1.39304891       0.01110020       0.84523612
Li      10.75020000       4.89411000       8.11499995      -0.08333601      -0.46154466      -0.46646575
Li       6.78373003      10.33340005       7.93476003      -1.96657491      -0.05980400      -0.99363337
Li       3.23089001       9.59693000       2.26631999       0.10921101      -0.24758509      -0.00839558
Li       7.05050004      10.44069998       0.08344574       0.22214755      -0.39321195       0.39924103
Li       2.56023994       4.14875994       6.86041001      -1.84043508      -0.14530985       1.00302846
Li       8.26512000       8.19230003       1.88827997       0.40384873       0.06481435       0.02611648
Li       5.80456999       0.48785201       2.82634996       0.53185872       0.30928851       0.09816783
Li       9.17738997       8.57792999       9.88753001       0.05472186      -0.22670179      -0.39665679
Li       3.92292004       0.74806904       6.36827999       0.60623040       0.38521551      -0.25020374
Li       6.05405004       8.67227000       4.08480004       0.09976348      -0.39282737       0.51718355
Li       5.59934000       6.00441005       6.52084996      -0.65886197      -1.36675035      -1.22285618
Li       4.75764001       7.79914000       9.32350004       0.48194802      -0.05631352      -0.11288534
Li       0.44100701      10.82309999       4.90594996      -0.58547430      -0.18946327      -0.54840950
Li       9.51216999       7.08652998       5.84277000       0.96971792      -0.20815759       0.57196310
Li       7.26866999       5.68505006       9.15597997       0.75101564      -0.87512900       0.41334700
Li       5.70912997       3.58765004       4.20089995      -0.42845657       0.26063892       0.29262382
Li       7.98287997       1.90067996       6.27869994       0.14570285       0.38384262      -0.16446267
Li       1.01286995       8.72951998      10.42939998       0.18058097       0.25957804      -0.10386277
Li       3.52331995       5.84012004       2.86982996       0.06095410      -0.21052715      -0.12433616
Li      10.90399997       3.85184999       4.22854996      -0.22722921      -0.09909341      -0.82456125
Li       9.13579997       1.45074996       2.97915999       0.79913544      -0.68263190      -0.41268983
Li       7.94506997       2.57705999       9.74359999      -0.60991687      -0.45640417       0.53607064
Li       0.07961988      10.92359999       0.85962898      -1.18866128      -0.11090669      -0.47056632
Li       8.96415000       9.97458001       4.69649000       0.75857179       0.17535588      -0.20956765
Li       1.96343004       7.59647996       5.46441999      -1.42863339       0.33269204      -0.41036178
Li       3.47023002      11.45755709       9.69627005      -1.35114211      -0.57442799       0.84821915
Li       8.55443005       3.90588997       1.56499002      -0.24382053       0.09938096       0.03386942
Cl       6.81720997       1.00880999       0.26119505      -0.41307698       1.03275932      -0.25592500
Cl       7.05852997       8.51539004      10.58269999      -0.45165933      -0.74690203       0.85785110
Cl      10.58370002       8.60500002       0.20874998       0.48254153      -0.45992296      -0.09085555
Cl       3.32006996       9.01088001      10.45870005      -0.17414878       0.25350803       0.10376561
Cl       9.44792004       6.46426995       7.99883996      -0.26529737       0.89488596       0.83253940
Cl       4.92801996       0.63798203       8.47683005       1.35184086       0.13342494      -1.09481801
Cl       2.05811995      11.42474518       5.98038997       0.39362941       0.19777424       0.67093113
Cl       1.96567005       5.57433996       0.92185996      -0.09374006      -0.55079231      -0.69001195
Cl       8.60814994      10.34569996       8.59168001       2.46072826       0.90753623       0.35351854
Cl       6.94786997       4.14381998      10.92140000       0.65718437       0.89310799      -0.47736474
Cl       5.72626002       9.81574997       2.22691004      -0.66126961      -0.59215744      -0.60597747
Cl      10.62069996       2.81323001       1.77611999       0.24646633      -0.72146405       0.20070558
Cl       1.68353996      11.27069999       2.17201998       0.26245678      -0.38707305       0.39187359
Cl       8.48775998       7.89665998       4.24221996      -1.09212490      -0.39219718      -1.05717537
Cl       9.93545999       0.52742899       4.91121998       0.16539728       1.02704896       0.83987724
Cl       9.46130997       2.81076003       8.32333997      -0.02312387      -0.85265874      -0.48058365
Cl       9.19144999      10.77509996       2.06891002      -0.12004675      -0.46815033      -0.38928612
Cl       6.94299994      10.33409995       5.21972995      -1.29967298       1.20120230       1.37991405
Cl       0.35827102       5.07729005       5.70380997      -0.00328227       0.58724701      -0.30731060
Cl       0.92934499       3.68406005       8.35782005       1.84874415      -0.68446288       1.45736300
Cl       6.70542005       4.05180997       6.60608997       1.37017595      -0.92957080       0.18031306
Cl       2.09116001       7.70149999       3.03401003       0.04175971       0.68234057       0.40463057
Cl       3.42865996       2.90275996      11.07619999       0.61099107      -2.17838877       0.21785552
Cl      11.34069997       8.91081003       5.88947995      -0.16897482      -0.65978450       0.08728643
Cl       4.18118001       1.67092994       3.74585000      -0.58078782      -0.19070299      -0.35539901
Cl       0.73021801      11.28260003       9.90261001       0.91185785      -0.45421440       0.88498927
Cl       3.90674005       7.16873999       5.89409994       0.64855134       1.85436694       0.11772749
Cl       3.99830995       4.37780995       5.60702004       0.46106597      -0.93798456      -1.66895522
Cl       7.26784995       2.28890004       3.38727002       0.45131174       0.10906462       0.21897037
Cl       5.63992000       4.92461003       2.32368003      -0.45703589       0.47114724       0.09544452
Cl       6.50171997       7.09347000       7.89344001      -0.59652135       2.16335417       0.60409595
Cl       9.72580995       5.67249002       2.42013005      -0.43169451       0.30520687       0.01594036
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-229.06125763 stress="-0.005589955341832435 -0.0010081029388592114 0.00041914091198302927 -0.0010081029388592114 -0.007100919176013981 -0.0017570380090769079 0.00041914091198302927 -0.0017570380090769079 -0.013286487016250938" free_energy=-229.06125763 pbc="T T T" config_type=melt 
Li       6.25083005       9.00604002       6.89312001       0.90015955       0.61665476      -1.06072788
Li       4.00115000       0.09559261      11.37590001      -0.75821135       0.17895649      -0.62425110
Li       7.17919002       9.29467001       9.85697002       0.04611351       0.49471835      -0.45470544
Li       8.82345004       7.56964999       0.83483197       0.58571906       0.24802482       0.51593320
Li      10.75190004      11.31030506       0.40397704      -0.11557410       0.03375010      -0.00310813
Li       7.70791998       6.63404000       4.47325994       0.65114284       0.40720331       2.33763589
Li       9.09384999       6.01932003       7.45349998       0.29849322      -0.16775059       1.96304385
Li       1.23281996       8.96743005       0.74761998      -0.25453572      -0.37584981       0.64992550
Li       2.88532004       5.93250001       7.10772996       0.30658530       0.26343866      -0.39305715
Li       1.00424996       6.16718001       1.95039000       0.22497107       0.39945866      -0.14223911
Li       0.30874304       6.69251001       9.72762004       0.54547417       0.02050747      -0.37821841
Li       5.44225002       8.59414002       2.66734005      -0.28972498       0.00035498      -0.74611426
Li       7.02466999       3.32615004       6.09027005       0.40912446      -0.26682949      -0.24588150
Li       2.28589995       8.85768995       5.10980997       0.03810270      -0.18337038       0.20481386
Li       1.51193998      10.20369995       8.57165994       0.10227094       0.17677518       0.06835587
Li       1.71292005       2.73652996       9.43317995       0.07016939      -0.36377104       0.23527987
Li       5.83453005       6.07867004       8.79582995       0.67703974      -0.82961351       0.31971793
Li       0.28281301       0.27985798       5.13205996       0.27669788       0.12656575       0.35036831
Li       4.12548000       4.17929001       3.98012004      -0.31744396      -0.36956127       0.13776223
Li       8.69324998      10.81270005       3.72618004       0.10110875      -0.01557604       0.15973771
Li       5.62479999       2.14647000       9.47387001       0.75661578       0.03474256      -0.10343403
Li       5.64272004       1.12419006       2.89602997       0.08164033       0.34055865       0.00033132
Li       3.55412000       1.16908005       6.50685998      -0.35686774      -0.25265070       1.23362635
Li       9.20929999       1.65401004       7.91107001      -0.10549606      -0.27522712       0.20473792
Li       3.38833998       4.34760994       0.34413396       0.49698050      -0.98852640       0.40405924
Li       1.25079996       1.95804000       1.89744004      -0.16277036      -0.69798687       0.92958153
Li       8.66377004       3.83733002      10.41910002      -0.19641525       1.14872312      -2.95880645
Li       0.35499201       4.30893004       6.44653001      -1.14232871      -0.49508843       0.73381858
Li       6.75257997       4.92911996       1.64851005       0.29083915      -0.92108747      -1.00630737
Li       3.83540001       7.99882002      10.47040003       0.78160524      -0.77784688      -0.43441552
Li       9.65246996       9.68753003       7.86974002      -0.21180909      -0.23148862      -0.39454188
Li       9.54495004       2.89435997       3.21376994       0.70396960       0.11393566      -0.57533989
Cl       1.74928004       4.62329000       8.32626003       0.11531740      -0.27284267       1.15810155
Cl       2.25883003       8.16940002       3.08098996      -0.09634837      -0.21492557      -0.74214644
Cl       4.16359002       1.62730996       4.64636003       0.30957934       0.21971482      -1.14727124
Cl       5.41126998       4.12394001      10.50199995      -0.01214300       0.73604239      -0.49296552
Cl       7.76340997       7.57619999       7.97212005       1.08678916       0.15752225       0.77104098
Cl       1.22326001       3.97433000       1.79981998      -0.05438513       1.25002166       0.09816868
Cl      10.87510001      11.13592408       9.09222997       0.17558507       0.28148480       0.65885624
Cl       9.25670995       5.51211999       5.57015997       0.60843532      -0.92663922      -2.04310063
Cl      10.95150004       7.44461998       0.16472302       0.59661181      -0.38667445       0.10733268
Cl       5.01035998       7.92634995       8.11709000      -3.14789551      -0.05867788       1.03123404
Cl       8.85183995       3.27204999       0.71614904       0.26655462      -0.72808949       3.35641104
Cl       7.51676997       0.15941987       9.14831999      -0.32027101      -0.25054289      -0.00394171
Cl       6.05890997       8.96626000       4.60909000      -1.56972329       0.03209125       0.02251931
Cl       2.10321997       1.28248998       0.14151989      -0.51607492      -0.00785841      -0.31880160
Cl       3.60586999       1.44265996       9.02592000       0.13634965      -0.37014301      -1.07593057
Cl      10.95190003       1.99858996       6.44338994       0.01072494       0.22622354       0.01861942
Cl       5.44202004       4.67522995       5.69452001      -0.07655624       0.84404162       0.42712524
Cl       6.95701996       7.79007004      11.36610000      -0.88884521      -0.08694292      -0.34237452
Cl       2.33067003      10.66530002       6.32063995      -0.32619781       0.53071779       0.02615390
Cl       2.82167999       6.31005005      11.44610003      -0.37146826       0.93025032      -0.09127909
Cl       5.62535005      11.08300003       1.07541998       0.75563440      -0.36117361       0.84437892
Cl      10.29890002       9.67093995       2.01787001      -0.91574450      -0.25580576      -0.14311953
Cl       5.22651004       3.50567000       2.06100998      -0.79088522      -0.42583160       0.40094496
Cl       2.71346005       9.69690999      10.72360001      -0.45952555       0.79500160      -0.21057162
Cl       8.28220005       9.79374005       5.90687000       2.26747092       1.23062930       0.47184261
Cl       6.78483002       6.62825994       2.79724995      -0.61161487       0.21125656      -1.80817313
Cl       1.96107001       4.81747002       5.34800997       1.15981086       0.65252979      -1.84967195
Cl       7.95276995       1.70993005       3.85820006      -0.96868570      -0.53660461       0.60825620
Cl       0.86305898       8.20793995       7.89565995      -0.24494241      -0.84220067      -0.10945864
Cl      10.30900005       5.15613999       9.35227997      -0.69382176      -0.36644164      -0.25195455
Cl      11.17160000       0.75369502       3.04031000       0.24909217       1.11214606       0.05023469
Cl       7.73420001       3.56137999       8.25601002      -0.10647281      -0.51042326      -0.34804078
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.49679841 stress="-0.003811158558131421 -0.004618740876586383 -0.00072295034452671 -0.004618740876586383 0.0006113645382685139 -0.005379631070696997 -0.00072295034452671 -0.005379631070696997 -0.02370016904318568" free_energy=-228.49679841 pbc="T T T" config_type=melt 
Li      10.57069999       9.49286002       2.09789000       0.69708171       0.70458757      -1.52419718
Li       2.15421997       9.47453001       7.83272002      -0.43094252      -0.41390560      -0.65246781
Li       5.21605003       9.31469994       8.69685997       0.10073756       0.28962909      -0.04897506
Li       2.59227997       1.97429004       7.67806001      -0.41132297      -1.46129154       0.38536544
Li       8.97312997      11.41300002       3.40460997       0.26764428      -0.89177930      -2.10492557
Li      10.20020002       4.23658997       7.06273999      -0.81337272      -0.22639094       0.51327841
Li       5.33216003       2.14815995       1.66659003       0.24125593      -0.39537437      -0.29662449
Li       0.84666104       5.46432002       2.00401004      -0.28353545       0.13436582      -2.64932630
Li       4.90694002       4.82102005       7.72258005       0.92647408       0.78772541       0.10274024
Li      10.32370001       6.68148997       4.42965005      -0.29667461       0.10461865      -0.98267075
Li       5.26977004       9.60928998       1.09900005      -0.05445917      -0.36559188       0.08756309
Li      10.67269998       8.15696999       7.57295996       0.21686964       0.47876708       0.34706109
Li       5.07075002      10.93450000       5.38629000      -0.11077013      -0.57974857       0.37554503
Li      11.31479998       1.63899997       4.69975996      -0.51342282      -2.16085701      -2.12367424
Li       5.78875995       7.86569003       4.47394001      -0.12183205       0.44532655       0.56680274
Li      11.11950001       5.54240002      10.27440005      -0.23917807       0.82061949       0.22925796
Li       7.77734996       7.71364995      10.53460000       0.98804339      -0.43216402      -0.14299119
Li       7.96091005       3.98840000       9.78345005       0.01628387      -0.70291816       0.82953038
Li       2.03243997       9.42961995       3.48838004       1.17814926       0.36773588       2.29170607
Li       1.94714996       5.38069004       5.77608997       0.32274760       0.52689824       0.96501125
Li       7.23961996       5.96676995       2.05586997       0.88842106      -0.49878339      -0.33255584
Li       2.62272004       0.15161602      11.45655855       0.28278823       0.04384612      -0.02114519
Li       7.12147001       6.88499997       7.40916004       0.89326291       2.04237433       2.33858837
Li       8.41692999      11.09959996       6.79426994       0.13559001      -0.67474287       0.64964345
Li       2.82255001       2.01428995       3.88942004       0.40753756       0.12365868       0.11915402
Li       9.55203003       3.41065004       1.98991001      -0.36067334       0.32221148      -0.27982800
Li       7.80946003       0.01521986      10.76000002       0.54828161      -0.28273038      -0.46078169
Li       6.65633998       3.50224001       4.56568004       0.21344621      -0.18800581       0.35207121
Li      11.44280004       1.56504001      11.31290000      -1.45309823       0.38983717       1.15975192
Li       4.37169995       6.07408994      10.96729999       0.16579510       0.35220401       0.37131820
Li      11.01610000       1.11388000       7.74171003      -0.03897265       0.17875238       0.19668814
Li       1.44087004       8.51210003      11.04950003       1.95117927      -0.02319269       5.48831360
Cl       6.86569000       3.62002998       0.54781696      -0.15230415       0.10860536       0.34412890
Cl       1.75074999       0.39343495       4.68429006      -0.25898984      -0.92427310       0.18944019
Cl       1.12948002       5.39248002       3.88675001      -0.19967589      -0.25092445       0.83511794
Cl       5.81369005       6.10919999       9.32489994      -1.43718370      -0.08988742      -0.58670986
Cl      10.63830003       1.61785996       2.60621996       0.62853245       0.58096437       0.23291203
Cl       1.34166997       1.44672004       9.80330000       0.86309066      -0.32204522      -0.90517772
Cl       3.57676998      11.04539994       7.88325996       0.83741743       0.73211769      -0.41617334
Cl       3.05961997       1.97303998       1.73031996      -0.02140496      -0.12069591      -0.94931809
Cl       9.17786998       2.29181999       8.62553002      -0.29648783      -0.43269621      -0.30015231
Cl       9.70886001       6.71354995       0.41297100       0.41397451       0.53462617      -0.02589627
Cl       8.65890002       0.83530602       5.10693003      -0.40075535       1.61140785       1.21265170
Cl       9.25242001       8.53335996       3.19589002      -1.05488890      -0.70904852       1.71283046
Cl       5.03483002       1.47649999       4.66250999       0.57938043       1.60248750      -0.43462688
Cl       9.47359005      11.19520002       0.78500500       0.67229307      -0.73047007      -0.77636597
Cl       0.98319305       8.37581003       9.38744997      -2.39310121      -0.99162670      -5.84080721
Cl       6.84295003       9.49667005       6.19272002      -0.53660651      -0.49808782      -0.60605789
Cl       0.10257103       2.85160004       6.09944996       0.73099635       1.78051090       2.60257086
Cl       1.28978998       9.23471997       1.68409999      -0.58995280       0.16618398      -1.46628104
Cl       2.75492004       7.83896003       5.75739001      -0.17410865      -0.24472024       0.50669307
Cl       6.38904994       7.31701005       0.61182295      -1.24105390       0.52693691       1.29344990
Cl      10.83009996       6.22948998       6.43400001       0.31137669       0.43243258       0.71234230
Cl       4.47645997       9.59363001       3.64183000       0.23681902      -0.29656744      -0.97400244
Cl       6.62901005       5.69610002       6.05388002      -1.61977695      -1.98506167      -2.60196417
Cl       2.37750001       5.95198997       0.38909904      -0.41604910      -0.04676163      -0.16991339
Cl      11.06550004      10.45300001       7.00448999      -0.41082434      -0.31682513       0.08866289
Cl      10.43889998       3.79476006      11.26630000       0.32302875      -1.19022343       0.54521133
Cl       8.51642000       4.83208996       3.72078002       0.03881842      -0.29570450      -0.50975405
Cl       7.61132999       9.37068002       9.08206998       0.07738942       0.54473689       0.58459894
Cl       3.32876997       3.74711004       6.97371000      -0.33225698       0.66927501      -0.70982650
Cl       8.57046995       5.73583005       8.82579999       1.81805681       0.67193837      -0.65401868
Cl       6.45118004       0.03681180       0.90810603      -1.36326158       0.35845139       0.57212051
Cl       3.87044998       9.20583996      10.57280002       0.05417410       0.30926304       0.74508751
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.27606326 stress="-0.018060817387006524 0.005735945906769781 0.0007900767640511061 0.005735945906769781 -0.0019130570439041576 0.0005350328539758455 0.0007900767640511061 0.0005350328539758455 -0.014126510083949917" free_energy=-228.27606326 pbc="T T T" config_type=melt 
Li       5.05878005       0.22866802       4.18606001       1.86028841      -1.25329059      -1.05555503
Li       0.26812704       7.39937001       1.73421999       1.00183587       2.47755876      -0.70140020
Li       7.36381996       6.22517998       9.69031997       0.04115037       0.21230665       0.01570634
Li       3.52457999       3.16918994       5.97778999      -0.39998099      -0.08624213      -0.39262759
Li       6.92042999       2.51159001       6.54256995       0.28918996      -0.20615256      -0.21273636
Li       5.73280004       2.45533995       9.83104997      -1.44038857       0.34965867       0.49076119
Li       4.26990998       0.11241988       0.11921395      -0.01424143      -1.00657941       0.42578860
Li       6.53595999       3.21313998       1.90197004      -0.75042044       0.01046031       0.46928446
Li       4.25662999       5.56935002       8.21605998      -0.65170740       0.79679513       1.83312806
Li       0.29851403       5.40032996       9.59367002       0.21762141       0.50696851       0.02235017
Li       3.05873997       8.57292995      10.31039996       0.33268718      -0.68769528      -0.17414776
Li      10.18719999       5.90463997       4.00502997       0.19411009      -0.00531482       0.13013636
Li       2.81024001       0.09231990       7.67369005      -0.26445995      -0.21352322      -0.03095349
Li       7.73741001       0.49653895       0.84855598       2.53701726      -1.40572813       0.80026739
Li       5.30101995       8.47201999       1.57634998       0.24626358      -0.05575956       0.20809621
Li      10.13860004       3.89402994       0.85044105       1.30005862       1.06048475      -0.06203197
Li       9.09054002       7.56812994       7.40756995       0.98562480      -0.08568460      -1.29690218
Li       0.09902994       4.20101998       6.13404996      -1.73247617       0.57811217       0.73036427
Li       2.11508997      10.17170005       3.04162002      -0.90070285       0.11586535       0.53892469
Li       1.87941006       7.45992995       6.51139995      -1.05266719       0.00796579      -0.59770489
Li       5.66716005       5.99597004       4.40263998       0.95553488       0.67689865       0.62166819
Li       1.58332003       1.84131001       3.24377002       1.14309486       1.09602271       0.29023692
Li       9.77788999       2.19473003       9.32131999       0.11153298      -0.21480760      -0.26853362
Li       9.51230000       1.65570997       4.51044995      -0.08036553      -0.44760311      -0.06623104
Li       7.92118001       8.87833001       3.62550005       0.37369309      -0.26350918       0.49173842
Li       0.01321751       9.11367001       9.36300996      -0.41604867      -0.15331947      -0.76473030
Li       7.68649004      10.38969999       9.44885999      -0.01081914      -0.07681428       0.34568899
Li      10.97450002      10.25440004       4.95517999      -0.40817757       0.76359021       1.48625086
Li       0.12553605       0.08491306       0.25018705       0.17308322      -0.20161613      -0.03615489
Li       2.19518001       4.79303999       2.15180995       0.03704167       0.23917795       0.04684209
Li       2.07870006       2.93130006      10.51909995      -0.25107640       0.66535389      -0.65656258
Li       6.21932002       9.73990998       6.98188002      -0.17363201      -0.24738165      -0.81202424
Cl       4.30463001       5.44634999       2.98188998      -0.81034913      -0.33273979      -1.24191941
Cl       3.55030996       1.05919000       5.03030003      -3.95782877       1.26847736      -0.72734252
Cl       9.59555004      11.32130000      10.57860002       0.06784998      -0.14623042       0.05360547
Cl       8.86466000      10.58840003       5.61102004      -0.47056885       0.04150954      -0.13675798
Cl       1.28855000       9.56440996      10.96339996      -0.51692690       2.04477770       1.12909159
Cl       8.59444004       2.90862004       1.50362998      -0.53463981      -1.20614598       0.69883920
Cl       3.93885998      10.17739998       2.11836005       0.12485305       0.87065540      -0.07192282
Cl       0.26272198       9.01233002       3.58247002       0.81374775      -2.54943110      -1.35486906
Cl      10.17299998       7.13214005       9.14887005       0.40369296      -0.32603562       1.37622574
Cl      11.10839995       5.61473997       1.97769000      -0.44036481      -2.40269661       0.61283427
Cl       7.30164997       8.05260996       8.22448004      -1.57989117       0.88351125       0.39636392
Cl       1.27263001       4.23448994       7.86995004       1.01330156       0.10596809       1.19096706
Cl       5.85569002       8.72152995       4.34305003      -0.74789860      -0.09696448       1.19475228
Cl       1.64733004       2.83432004       1.10966000       0.80640638      -0.58418307       1.99019631
Cl       9.43962999       2.88507000       6.35689997      -0.13538442       0.16861703       0.09789120
Cl       0.15978100       0.42530095       3.47441998      -1.10366038       0.39279814      -0.35934599
Cl      10.62289995       6.64660004       6.03842996       0.80703551      -0.27456195      -0.22179647
Cl       3.08641005       7.59471996       8.16264997       0.68510402       0.14425611       0.43874924
Cl       5.01976000       0.21792003       7.02831001       1.85716666      -0.79550474       2.03532400
Cl      11.23820002       3.37276999      10.56650005      -0.97082771      -0.13086909      -1.27411657
Cl       8.23785003       6.42295005       3.48764002      -1.15530249       0.02670732      -0.02316354
Cl       4.70976999       4.99887002       6.40460995       0.97932000      -0.73466155      -1.67695550
Cl       7.37734002       9.40150002       1.62110997       0.84131209       0.84079044      -0.80835523
Cl       6.08866001       1.29413998       0.36026099      -2.73757133       1.22070486       0.03063392
Cl       6.30818997       2.16805002       4.08049004       0.75067027       0.23976223       0.11707033
Cl       3.14516998       1.16429005      10.06339998       0.09832182      -0.25235338      -1.11418193
Cl       1.49336005       3.54254005       4.89921000       0.85016848      -0.20100176      -2.06312385
Cl       7.60140994       2.01866999       9.32694999       1.12378850      -0.16307262      -1.65849807
Cl       5.60562002       4.82349003       9.95458997      -0.06438764      -0.02470572       0.11477668
Cl       5.14629000       9.16884002      10.83809997       0.07867141       0.19619597      -0.80586353
Cl       1.68905004       6.72087000      11.18629996       0.30591780      -1.25445704       0.31409510
Cl       0.65188499      10.18630004       7.31737002       0.36560985       0.08468569      -0.07214092
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.78287102 stress="-0.011751216654627646 0.004122056329034658 -0.003133153270888123 0.004122056329034658 -0.00972014691627686 -0.001697183546869042 -0.003133153270888123 -0.001697183546869042 -0.008825598012371146" free_energy=-228.78287102 pbc="T T T" config_type=melt 
Li      10.53069997       0.72528103       2.64023001       1.12018704       0.06969209      -0.21074884
Li      10.37970004       5.72682005       5.23132996       0.25143604      -0.69381570       0.06896470
Li       9.14575005      10.84759996       6.27085998      -0.42080227       1.94330970      -0.20053050
Li       3.79368001       3.23585003       9.63495002       0.24356755       0.03037802       0.02232683
Li       0.75149101       3.52417003       0.24617799       0.22863087       0.55340908      -0.09165606
Li       4.96048004       0.27481496       9.43615001       0.38364690      -0.04594797      -0.07755249
Li      11.06793413       8.96778005       8.99448999       0.47792311      -0.62028361       1.54491391
Li       8.36584000       9.87561002      11.10499998      -0.02395434      -1.22466436       0.32731675
Li       5.20167004       4.16566001       2.36232004      -0.71783017      -0.42309425       0.57954277
Li       9.16563002       5.30491000       1.87687003       0.30931398      -1.13787922      -0.00066580
Li       2.58817003       6.20912002       4.38808000       0.37252159       0.13965607      -0.38164870
Li       5.02621003      10.10609995       5.60379995       0.79019179      -0.74812380      -0.92694532
Li       0.34635402       9.75879004       5.49219003       0.17861318      -0.31364161      -0.15551894
Li       2.99713002       6.19963000      10.21520000       1.47102345       0.09140761       0.61974759
Li       5.63807998       7.66294997       8.03480995       0.40881154      -0.18393664      -0.34236022
Li      11.37709997       2.19288004       5.50394000       0.07951051       0.31610431      -0.33488971
Li       2.61679003       1.97618004       3.09054005      -0.08718961      -0.14449223      -0.08454501
Li       9.99642004       5.84880996       9.53691002       0.03647209      -0.10533567       0.13578515
Li       1.40575002       4.78269004       7.50405000      -0.11913728       0.84171111      -0.08204013
Li       5.81336997       0.06625735       2.31331001      -0.01734519       1.12529771      -0.80775736
Li       6.91739000       5.98460998       4.94100005      -0.22802055      -0.20964725       0.44226582
Li       4.03578004       3.30144005       5.60388995       0.47354245      -0.27861173       0.09659334
Li       7.99465997       2.36985001       0.34183296       0.40883437      -0.70788532      -0.25018193
Li       7.62600002       1.63041999       4.30604998      -0.50947947       0.88940042       1.39135828
Li       6.38725005       6.73867999       0.93014496       0.15434974      -0.07209446      -0.12714483
Li       1.57066003       0.01661988       0.06508020       0.60556500       0.11155638      -1.17084824
Li      10.53970000       1.96476002       8.60685998      -0.24149435      -1.12696247       0.61692827
Li       7.46513003       3.29262000       8.11477995      -0.31214878       0.52358379      -0.26320842
Li       0.15840700       7.81958998       2.00745999       0.53486848       0.39492494      -0.02156966
Li       8.65500996       8.60214002       3.99112002       0.14708773      -0.88941955      -1.84549867
Li       3.73635998       9.13636997       1.50957995       0.04809164       0.53243071      -0.03678714
Li       2.71089996       0.35056599       7.58654994      -1.26664651       0.96495528       0.05906892
Cl       2.89162000       4.06006998       3.95341996      -0.53706998       0.38215453      -0.53700343
Cl       8.74349001       0.29959500      10.56550002       0.31476410       1.27751466      -0.42643581
Cl       2.60031999       7.44833005       2.48065996       0.23878252      -0.96282847       0.19114971
Cl       7.02806995       4.02436998       1.27852002       0.00544492       1.16072249      -0.36675003
Cl       5.94631997       9.56822000       2.72461995      -0.57581273      -1.39432763      -0.12750481
Cl       4.93222999       1.98578000       2.94670002      -0.98512069      -2.14655950      -1.11441319
Cl       1.07857999       6.32986995       5.85020000      -0.25102804       0.31632588       0.91514496
Cl       0.78618605       1.59960000       1.22413003      -0.05666151       0.58815042       0.91417504
Cl       6.21722996       3.59606001       4.66518002       1.00388144       1.76901363       1.36161395
Cl      10.43959998       3.91225001       3.58287001      -0.08487062       0.18582418       0.25641970
Cl       1.89230003       0.90308697       5.73394005       1.49311908       0.74087938      -0.53876848
Cl      10.40439994       7.54628006       4.01504998       1.99884467       0.84274215      -0.22289884
Cl       3.23190002       4.30410002       0.06951985      -0.11887105      -0.04504083       0.21480699
Cl       1.41264006       9.94139997       1.41771999      -0.71064258      -0.67613323       0.46552336
Cl       1.27781003       0.38389197       9.16761999      -0.55997033       0.23967644       0.77748603
Cl       7.89151997       5.83102003       7.48920995       0.48939349      -0.36166567       0.19819627
Cl       4.38712995      11.04450000      11.40012690      -0.15360560      -0.13680354       0.40173123
Cl       1.15319996       6.01149004       9.45882005      -1.82960747       0.33339752      -0.41022253
Cl      10.90050004       0.14727805       4.76075004      -1.48839752      -0.39494845      -0.98667621
Cl       7.94907994       6.77739005       2.86692996      -1.86745413      -0.07099800      -0.58605063
Cl       9.98302001       3.98357996      11.31650002       0.05285079       0.32527582      -0.55583126
Cl       4.29531001      10.66970001       7.47190004       1.46270419      -0.83164688       0.83833621
Cl       5.49523998       7.46983005      10.10120000      -0.25621552      -0.28114172       1.47882931
Cl      11.24607804       3.45349996       7.35352997      -0.66320909       0.22314050      -0.18971535
Cl       8.16672999       1.65014004       6.83808997       0.52501586      -0.51188947      -0.22377570
Cl       3.36428998       4.08904996       7.57743000       1.04087031      -0.36435178       0.36038013
Cl       7.84426994       9.74922001       5.23105000      -2.23335696       1.32046583       1.48475603
Cl       9.99448005       7.94189001      10.98660000      -0.24032476       0.16090032      -0.13350521
Cl      10.49770004       9.85125003       7.30814002       0.86264190      -0.75694076       0.43961846
Cl       5.37447996       7.71139997       5.95025004      -0.53719854      -0.26094274      -0.91323172
Cl       8.50612003       0.95850702       2.61038001      -1.08265398      -0.35760195      -1.53945442
Cl       5.91224996       2.35508998       9.54257005      -0.03638271       0.08565547       0.08135588
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.79526488 stress="-0.007921523510724294 -0.002232800231608523 -0.002189978154997679 -0.002232800231608523 -0.005308721379140474 -0.0002568448288769338 -0.002189978154997679 -0.0002568448288769338 -0.008403023246761386" free_energy=-228.79526488 pbc="T T T" config_type=melt 
Li      10.29759997       4.66913004       2.13662998       0.19099351       0.42995520       0.67587548
Li       8.93161999       9.72983998       8.54252003       0.12986416       0.09485970       0.21091611
Li       3.54119999       3.62142003       6.14159999       0.01095761       0.00708965       1.29068956
Li       5.62875998       4.64987005       8.88540003       0.34351010       0.24817147       0.34894221
Li       1.75778000       2.91638996       3.04668001       0.11313155       0.13536963      -0.60983801
Li       8.59779999       2.33059001       7.03804995       0.87755730       0.21305805       1.44142076
Li       8.44738004      10.73730005       1.06808995       0.33391947      -0.70696564       0.37648684
Li       4.94905004       9.09969001      10.87749994       0.45456408      -0.49269027      -0.03430521
Li       3.91145003      11.37379998       2.66648998       2.32346159       0.13724513      -0.97354829
Li       0.33704399       6.59012998       4.22129995       0.73751821      -0.31065899       1.07266604
Li       5.06535997       4.80508998       3.18829998       0.63984266       0.62516458      -0.60840603
Li       7.52405001      10.87830004       5.30839996       0.25956492      -1.27206007      -0.93205882
Li       2.70908001       9.66368994       5.24810003       0.06505336       0.10511607      -0.11678424
Li       2.69118002       5.97663003      10.68970002       0.06384614      -0.19955364       0.55542829
Li       2.11786995       2.71273000       9.39521003       1.66737678       2.02388440      -0.79401754
Li      11.22379996       0.07366935       3.39951994       0.08804285      -0.34074441      -0.07288104
Li       1.20866999       8.66897999       1.03273995      -0.76069751       0.11940191       0.68083321
Li      10.65969995       7.03703994      10.75829998      -1.53912431      -1.30008486       0.60123314
Li      11.02789995       0.25480497      10.47319995      -0.53529315      -0.38171571      -0.14260333
Li       6.11056000       1.35378004      11.05130004       0.05266975       0.10843884      -0.23040948
Li       4.17974996       7.27463004       7.32387004       0.38756697       0.02488823       0.04698772
Li      11.31299997       4.78651005       8.08775004       0.09898245      -0.08564963      -0.71627706
Li       7.19838994       6.24894005       0.35614703      -0.03981024       0.03480178      -0.22000448
Li       8.57859996       2.29015996       3.20391995       0.49970786       0.80963645       0.88120569
Li      11.09140002       8.53866998       6.41343000       0.33662300       1.08294650       0.24046675
Li       4.51623002       0.40360801       7.53698000       0.05406398       0.11021445       0.59728192
Li       0.34024195       1.13242003       7.25947002      -0.51920843      -1.18030172       0.33576104
Li       8.96182000       3.31575996      10.41119998      -0.25291140       0.01517883      -0.45011111
Li       4.13263004       8.04377994       2.63201998       0.24443205       0.35088275       0.12193687
Li       7.85440001       7.81489995       3.70290996      -0.10359219      -0.40098930       0.00798237
Li       2.02021996      10.18090002       9.26829002      -0.18369829       0.06484403       0.10265764
Li       8.84892998       5.93545000       6.01844003      -1.61452072      -0.68780309      -0.05916819
Cl       3.25291003       9.30813997       0.95084200       0.74693031      -0.11044236      -0.27568209
Cl       9.71551995       5.17085004       0.15306396      -0.54832149      -0.03913041      -0.79084747
Cl       3.53996998       3.64798998       4.05386998       0.36962906      -0.66194303       0.96628300
Cl       8.82057996       0.98806996       9.04918997      -0.07602533      -0.13977262       0.61800044
Cl       8.82644004       9.71603997       3.38770004       0.05445864       0.77238560      -0.23063855
Cl       4.64918998       2.77309001       8.29167001      -0.54336260      -0.68386359      -0.49835610
Cl       0.03085198       6.97234999       2.29477995      -0.04764739       0.32093406      -1.05933882
Cl      10.81350003       6.41198997       6.13666003       3.22301657      -2.27943479       0.41204651
Cl       7.74709996       8.65693000      10.91650005       0.26914215       0.30488512      -0.15196423
Cl       8.25475995       5.19178003       3.56140005       0.47396783      -0.45698916       0.45957733
Cl       5.22947997       9.96608005       3.74004999       0.15801766      -0.14229912       0.71106172
Cl       2.59379005       4.36725995       1.39128004       0.00067103       0.37227076      -0.82742389
Cl       2.16075002      11.07559995       3.31360995      -2.72037289       0.18309159       1.28029745
Cl       0.61371501       8.30807000      10.48589997       2.04562551       0.21839714      -1.24228200
Cl      11.05879997      10.52170005       0.92407405      -0.60784614       0.82890478       0.48825259
Cl       1.37727000       2.88208998       7.27164004       0.45794511       0.97911291      -1.57077722
Cl       2.54206998       7.37154001       5.80886004      -0.54298174      -0.42816447      -1.05441283
Cl       1.21742996       4.57374000       9.73898000      -0.27199746       1.45725791       0.81663026
Cl       8.93231003       8.18717997       6.21238000      -2.75394455       2.31089694       0.74345245
Cl       7.36213999       1.11580004       2.03347003      -0.68820097      -0.50253537      -1.16574188
Cl      11.05870000       2.88218995       3.38117996      -0.69844253      -0.51800182       0.02388038
Cl       5.89724998       5.71638996       6.89722995      -0.19001113       0.24293152      -0.31490833
Cl       4.95138004       6.56611002      10.30210005      -0.48229857       0.22818674      -0.23957734
Cl       7.48136999       1.44795004       5.71831997      -1.24454712      -0.12285465      -1.47807883
Cl       3.48351001       9.72438998       7.44351001       0.03471009       0.54818131      -0.16222589
Cl       9.16590001       4.11347002       8.02054999       0.02649917       0.86112256       0.25620182
Cl      11.31949999      11.10799996       5.71479998      -0.13277416      -0.06753979      -1.49389832
Cl       6.73735999       3.61244005      10.98610004      -0.09109278       0.02997375      -0.00664831
Cl      11.25759998      10.41889997       8.45970999      -0.57801338      -0.85335609       0.32973450
Cl       6.09728998       7.00605005       2.29577001      -0.58494982      -0.33166281      -0.05058205
Cl       4.87006000      11.05229995       9.78822997       0.60194329       0.68248450       0.64360046
Cl       1.45461996       1.03130004       9.87371005      -0.08412050      -2.38495743       1.23600643
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.01956548 stress="-0.005998702274909641 -0.00435345898788439 0.005104153058928471 -0.00435345898788439 -0.008430297711656636 -0.005007317380523345 0.005104153058928471 -0.005007317380523345 -0.02495283694130909" free_energy=-228.01956548 pbc="T T T" config_type=melt 
Li       1.99680004       1.26873995       5.62695998      -0.78964221      -3.59459384       2.64111664
Li       6.85214002       2.01831001       5.96543001      -0.33673529       0.27317117      -0.45393806
Li       3.44620994       8.84320999       4.81043004      -0.71249457       0.44271134       0.02268191
Li       5.63894003       7.33482003       9.39953997       0.06598235      -0.38550085      -0.33871916
Li       9.96913000       5.13090000       0.38418901      -0.11421022       0.44082603       0.49431096
Li       5.22332996       0.48719098      11.17099996      -0.52148740      -0.14313084       0.39017689
Li       2.73849998       8.91938004       1.08117998       0.26346801      -0.37218677       0.19383362
Li      11.40940001      10.29090002       6.45680006      -2.32166264      -0.33730911      -0.07780066
Li      10.43910003       1.31236005       8.00154003      -0.32475047       0.33699436      -0.52002404
Li       2.31714997       5.78298997       5.55124001       0.57098046      -0.25925152      -0.58553314
Li       5.50076003       6.35271001       2.83715000      -0.00636543       1.13872648       3.15240595
Li       6.77331003       5.43894005       6.55737997       0.04118032       0.12794186       0.41460001
Li       4.88521005      10.67059995       7.07692005      -0.59700057      -0.05862944       0.62574555
Li       7.81923998       3.02215001       9.12660000      -0.72750702       3.93307209       4.35518652
Li       5.89520005       4.00246002       0.52429500      -0.66276272       0.03652256       0.09784449
Li      10.90020002      10.18139998      10.72329999       0.28769037      -0.50258087      -0.56989126
Li       1.34982004       5.20345995       2.43179002      -0.18202386       0.12502483       0.65471816
Li       9.81564003       7.16105995       9.03133997      -0.33172088       0.04027343      -0.09838556
Li       9.48671998       2.86556995       3.72792995      -0.43454300       1.06079265       1.90340569
Li       9.97203001       6.85178004       4.34583000      -0.42275307       0.23854550       0.71308943
Li       2.75705997       1.04976005       2.11591999      -0.40879226      -0.26543235      -0.05613472
Li       2.21561004       0.96461496       9.13012996       0.45987299      -0.28542258       0.46644750
Li       8.58412998       1.02643999       0.65724397      -0.37679270      -0.16998230      -0.66579775
Li       4.13009999       3.45048004       4.02067000       0.70911781       0.52197682      -0.08390084
Li       0.82154006       4.74187995       9.83592000       0.25617639      -0.04001184      -0.99528969
Li       5.75116995      10.16329994       3.41115997      -0.26862503       0.61089300      -0.29508788
Li       7.71502004       9.50982004       5.88445997       0.48603211      -0.65990588      -0.04872614
Li      10.83430001      11.39348231       2.89725997      -0.11737021      -0.00876195       0.51940785
Li       8.54027005       8.90823000       1.26420996      -0.60053980      -0.86848083       0.12625824
Li       2.20304003       7.89539994       8.31836000      -0.65002786       0.39151934       0.42458837
Li      11.23689997       4.44730997       6.77212004       0.35591351      -0.12660721      -0.21968579
Li       3.78954002       3.49154005       7.51109996      -1.24693615      -0.12895765       1.76319210
Cl       6.52653005       2.28711001      11.20269996       1.33186830      -1.51330522      -0.70873797
Cl       4.23460000       8.57238001       7.98808005       1.13520466       0.23190311      -0.75397204
Cl       6.09983998      11.01769995       5.32705005       0.78999758       1.87017460       0.68561963
Cl      10.35479997       0.79967206       5.16778999       0.15862072       0.12295177       0.29551910
Cl       3.45704002       5.81019001       3.29728998      -1.06987825      -0.14562653       0.67314682
Cl       7.79210999       7.64429999       7.58125001      -0.16950164      -0.09302225      -0.06919450
Cl       7.93722003       1.88228002       7.82275000       0.77738268      -3.95583391      -4.06520301
Cl       9.94820999       8.93929006       4.46370997      -0.50462460       1.13775071       0.29671914
Cl       2.00121001       5.70925000       7.66979999       0.47052988      -0.62010010       1.24675023
Cl       5.08315002       3.82001999       6.10369003       0.98291776       0.68494714      -1.91581294
Cl       2.58955996       8.80380003      10.53899999      -0.45566175      -0.08662855      -0.46392665
Cl       9.77908996       7.45073996      11.38479996      -0.27017370       0.00081533      -0.74992254
Cl       9.86571005       2.02508999       2.01027000       0.80380597       0.20623722      -1.19351743
Cl       6.18245995      10.09759999       1.39604998       0.37436795       0.03392449      -1.44492335
Cl       5.52864002       8.35885000       4.44677998       0.13164795      -2.16453667      -0.11883844
Cl       5.73412004       4.93240001       9.13489005       0.23578862       0.19708356      -0.06350789
Cl       9.83543002       5.82303998       2.64133998      -0.32016046      -1.18943341      -1.36412084
Cl       4.62631003       1.86901000       2.63644003       1.35883092      -0.01487747      -0.33181387
Cl       1.85727001      10.18680000       6.18032003       2.66333591       0.11181915      -0.62562978
Cl       7.93296002       4.19732000       5.00094001       0.56823260      -0.29300900      -0.12985472
Cl       0.72135704       4.82508001       0.43684399       0.34045975      -0.27990912       0.03919491
Cl       5.76737001       5.92116000       1.06106005       0.77106832       0.73318415      -2.86674347
Cl      11.14100000       8.86580998       8.38189997       0.21176794       0.29887304       0.04604182
Cl      10.20130002       0.73129496      10.04559996       0.02609433       0.32999442      -0.03120453
Cl      10.28589999       4.55568995       8.70718997      -0.64819949       0.21964968       0.71203549
Cl       9.75716005      10.58099996       1.10834000       0.29635766      -0.24633413       0.52841912
Cl       4.33359005       1.31902997       7.94229997      -0.04434990      -0.79885246       0.50695303
Cl       2.43187004       1.28645995      11.38224594       0.25961547      -0.14481897      -0.42299760
Cl       2.37487996      10.19150001       2.66680994      -0.14205709       0.47060934       1.00700634
Cl       1.16444000       2.06641000       7.60319000      -0.69319796       0.58066229      -0.00775392
Cl       2.28252005       2.66554005       4.53205003      -0.88856874       3.09260398      -2.44727428
Cl       0.22232300       5.96447996       5.21281997       0.17680765      -0.28914186      -0.21255101
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-232.29383434 stress="-0.002070668893135805 0.003511501333224298 -0.0034372958939134714 0.003511501333224298 -0.003625524380139551 0.0010550847566081275 -0.0034372958939134714 0.0010550847566081275 -0.004073718880469636" free_energy=-232.29383434 pbc="T T T" config_type=melt 
Li       8.78742996       8.78411002       5.21589996      -0.12139326       0.78091424       0.19690782
Li       1.31374998       8.25452001      11.17019998      -0.33744569       0.64854273      -0.37734639
Li       5.66475003      10.41189999       8.21130002       0.10229658       0.17826756      -0.46211346
Li       0.32278999       2.73889997       7.72435999       0.04781804       0.28186882      -0.01170142
Li       3.21876000       1.42294002       9.91250001       2.54942589      -2.18797122       0.66194340
Li       9.76497995       6.79740003       8.85868000      -0.26267306       0.36976976       0.12435596
Li       1.17339005       0.57472202       1.42724005       0.02111029      -0.79498208      -0.18923179
Li       5.03185997       2.50261004       6.97482995       1.25175119       0.85118580       0.62351614
Li      10.43840002      10.56360005       8.98433998      -0.48527462      -1.17078050       1.14850793
Li       8.96507999      11.15340000       2.32466997       0.01474631       0.29375151      -0.55133368
Li       0.11940495       0.28382795       5.56157999       0.38749902      -0.00422756      -0.56642844
Li       9.36878005       3.53516003       2.04807002      -0.07794193      -0.12823445       0.79830734
Li      11.39239997       6.32421004       5.51668999       0.95977658      -0.64144012       0.15805622
Li       8.28963005       3.60211005       8.59253995       0.41346654       0.48094714       0.80152024
Li       7.58609000       5.01583004       4.97591004       0.18462652      -0.15827915      -0.24144954
Li       7.93361004       0.84102394       5.75049000       0.44155458       1.03496309      -0.50538964
Li       4.78078995       2.52492996       2.73365999       0.21420510       0.25023001       0.27502597
Li       5.63081002       7.18856001       8.93948002       0.95336047      -1.08577102       0.46041654
Li       8.03170003       9.30231004      11.37030005       0.09567679       0.34762142      -0.36312548
Li       5.81151998       7.96852004       3.08089997      -0.41638903      -0.08660838       0.13716276
Li       1.46968998       3.81337999       3.40687004      -0.30382841      -0.15665305       0.25775522
Li       3.80990999      11.37320005       4.85475003       0.06989300       0.96075618       0.58915414
Li       7.53671002       5.47109002       0.10077102       0.59692163       0.16105919       0.04616361
Li      10.36979994       6.93762996       2.00537005      -0.63279106      -0.01143381      -0.90188667
Li       3.66187999       6.03888004       1.05189000      -0.22784597      -0.14181351       0.46660653
Li      11.21459999       3.24259000      10.95679997      -0.14711244       0.06730489       0.02898494
Li       2.41474998       8.68127004       7.17388000      -0.63469687      -0.03203345      -0.02925505
Li       3.98313996       5.34594995       5.85705003       0.46335796      -0.23540670      -1.47048051
Li       4.16345004      10.12510004       1.62352996       0.37036917      -0.05098155      -0.47271616
Li       1.42488001       9.43407004       3.64187001      -0.03031541      -0.09020636      -0.28051150
Li       6.35319999       0.95862396      11.33379996      -0.00302037       0.64803488      -0.60042955
Li       1.90681003       5.12822997       9.21449996      -0.92885550      -0.30668793       0.91058404
Cl       3.85883999       2.02636000       5.47367005      -0.94295598       0.03667911      -1.32234373
Cl       3.19129996       5.67931001       7.70865003       0.19325392       0.21834279       0.25645343
Cl       8.62522003       3.14763996       0.10362895      -0.58837821      -0.16603329      -1.15388908
Cl       5.17294995       7.73077001       0.82567098       0.02675049      -0.46275971       0.02330987
Cl       0.34330005       6.88134000       3.49908997       1.13439567       0.45318779      -0.27494062
Cl       1.85873996       0.29647694       3.52945002      -0.96525661       1.26462918       0.21260855
Cl       7.19713999       2.40613996       3.80427999       0.02870249      -0.05445172      -0.66039897
Cl       2.26258000      10.23019998       0.50344297       0.15870028      -0.16910200      -0.51486972
Cl       8.60213005       5.66442994       2.55990003      -0.36654323      -0.28575735       0.36330179
Cl       4.38488995       2.09577003       0.28482305       0.27509970       0.10226195       0.86003115
Cl      11.45770005       2.30174003       1.71084994      -0.27776676       1.61683326       0.14676550
Cl       6.79930001      10.59849995       5.66164997      -0.82243126      -1.29404642       0.17105611
Cl      10.61089995       4.75079996       9.02222002       0.44000605      -0.95238495       0.06238528
Cl       5.80760997       6.41571001       4.77954000       0.05559519       0.39516383       0.21865361
Cl       9.51876000       6.89051005       6.01392001      -1.54681881       0.14707602       0.78423115
Cl       3.53719998       4.65068000       3.19817004       0.01914432      -0.09242155      -0.48947334
Cl       5.03339997       1.14733999       8.54713005       0.03967777      -0.73076448       0.86052287
Cl       7.20043998       3.55834000       6.79750998      -0.27871514      -0.53075281      -0.39440430
Cl       6.51378005      10.68530003       1.05743997       0.36044657      -0.35705592       1.00824820
Cl       0.75861595       9.60563999       5.72886997       0.66541205      -0.94576836       0.91779515
Cl       7.57346003      10.28699998       9.24679999       0.77805093      -0.17094768       0.31031896
Cl      10.43910003      10.69969997       0.48153003      -0.60525836      -0.00148071       0.12853548
Cl       4.36104000       8.54041003       8.21103003      -0.76041520       1.57506071      -0.36640350
Cl      10.96060004       0.55475502       7.66194994       0.02390926       1.46256231      -0.33321556
Cl       9.18600996       7.41367995      11.36869998       0.09740983      -0.22237928       0.21191215
Cl       3.73116999       9.69588003       3.72452002       1.48606058      -2.72430621      -0.32233207
Cl       0.59001296       4.08595999       5.85239003       0.04483803      -0.22469256      -0.46979817
Cl       7.35941000       5.74024999       9.18300999      -0.40936860       0.22736104       0.30652715
Cl       9.79796005      11.12710002       4.35555996      -0.51929888      -0.14981317      -0.09523973
Cl       1.53976998       6.15123996       0.15987500       0.27631173      -0.66669819      -0.22352253
Cl       0.02648822       8.40993999       9.10642997       0.44246404       0.18243877      -0.24866077
Cl       1.86376005       2.63593996       9.58065003      -2.99129390       2.44831322      -0.63473382
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.87804293 stress="-0.018478825427634155 0.005858506695293804 -0.0031316960657525035 0.005858506695293804 -0.0047404580252878945 0.002271616601285011 -0.0031316960657525035 0.002271616601285011 0.0020149109081295117" free_energy=-227.87804293 pbc="T T T" config_type=melt 
Li      11.06429996       0.18425104      10.79230005      -0.18860629       1.27494580      -0.04335746
Li       2.02983998       4.65349001       5.77584005      -0.64317966      -0.01440039       0.82028474
Li       3.18568005       5.47662004       9.82378001      -1.81702013      -1.14506207      -0.57878766
Li      11.19759996       0.33246401       5.55147996       0.64492690       0.38547926      -0.40478086
Li       5.89556003       4.30726003       0.83416899      -0.77087835       0.11392171      -0.97060826
Li       3.74633001       2.20973001       4.02824995      -0.37079784       0.14152438       0.76879114
Li       8.72137003       2.17886003       9.14647998       0.24216413      -0.87802064      -0.03247696
Li       3.34690004      10.16349999       8.20562004       1.19453138      -0.13492605       0.70526996
Li       5.79964998       2.77501005       8.48451995      -0.41514132       0.70156650      -0.07811434
Li      10.12840004       4.39552995       0.18971297      -0.88367376       1.10855241      -2.39803123
Li       1.56456997      10.35159994       1.86734998       0.40342368      -0.01371059      -0.55357209
Li       7.60094002       1.39038995       2.77986001      -0.31256295       0.07333868       0.37671776
Li       8.57226996       7.43485000       6.64100994       0.20118709      -0.22211766       0.07133528
Li       0.66052401       8.02791005       8.64277998      -0.40914057       0.94913836       0.59186373
Li       6.41501000       4.29716998       4.71789003       0.17122643      -0.00230859      -0.07989495
Li       9.77889999       9.86968999       3.40059002      -3.16883333      -0.86853044      -0.00166438
Li       5.01300994      10.41620001       4.30621002      -0.79214301      -0.33481419       0.03741946
Li       7.37687996       6.95024996       2.76639006       1.78995408      -0.00989065       0.81325865
Li       9.62173996       8.82280001      10.81849994       0.50091085       0.00499226       0.25847268
Li       1.67072003       8.70615005       4.99070000       0.06008432       0.21420577      -0.05543766
Li       7.77013996       0.28101897       5.96362002      -0.37950414       0.37549917      -0.24745922
Li       7.25395994       6.52663999      10.03789998       0.16961979      -0.13216160      -0.29964991
Li       5.72221003       7.92998997       7.02375995       2.77475909      -2.15068807       1.07393364
Li       4.17441001       6.68924005       3.83405995       0.03119611      -0.02379371      -0.07880349
Li       4.39441998       8.08197996       0.21297698      -0.06879627       0.37372590       0.50902428
Li      10.87989999       5.06887997       8.21158995      -0.27329444      -0.07899747       0.00077473
Li       0.99804801       6.27103997       2.14523002      -0.32515251       0.04202487       0.14311115
Li       1.41785997       1.67627998       8.06209000       0.52294545       0.00501209      -0.33339592
Li       1.62906996       2.97984005       0.34563796      -0.07540414       0.18981917      -0.48253694
Li      10.23730004       3.47714000       3.82718998      -0.22128679       0.52440933       0.84169162
Li       6.87034003      10.23539995       9.80976000       1.47351289       1.00127562      -0.26348782
Li       4.72114004       0.61549496       0.08278781      -0.10432143       0.42540653      -0.21396055
Cl       7.47824999       8.74922995       8.37101005      -0.07091112      -0.86038186      -0.89278520
Cl       6.52979003       2.25655999       5.72626002      -0.72292447       0.14605714       0.31176866
Cl       4.57339000       1.21478000       2.39117002       0.28110375      -0.58281605      -0.47269215
Cl       0.15163597      10.25819999       3.46491002       2.87670577       0.64418099       0.56076093
Cl       5.63917001       7.03904000       1.82793005      -0.99755109      -0.24319778      -0.49966557
Cl       1.71469999       1.90800002       5.76727004      -0.23015360       0.13328187      -0.24866394
Cl       4.85418003       6.40463001      10.41449997       1.42346197      -0.05263962      -0.63795423
Cl       9.56677000       7.73171995       1.97816004      -0.26245236       0.17635684       0.01160805
Cl       4.41136005       9.06878999       6.45430004      -1.96375879       2.17233646      -1.63084056
Cl      11.37260001       2.65659000       9.19699996      -2.41066388      -0.25340567       0.41835298
Cl       5.04512999       2.92392004      10.68450005       0.67709541       0.12121895       1.56524875
Cl       4.99011005       9.66986002      10.14840005      -2.35714048       0.14875488       0.90646800
Cl       1.69439996      10.16799995       7.02747002      -1.95189262       0.12206590      -0.30156195
Cl       6.79603005       6.65396997       5.18265997      -0.73545799       0.21421540      -0.06291662
Cl       1.43257999       6.48033003       4.52446997      -0.87813529       0.51014651      -0.53973464
Cl       1.47485006       6.32233001       7.75046003       0.36078366      -0.72424185       0.04986691
Cl       3.46270005       4.38264994       4.26877995       1.77081402      -0.16304248      -0.77897837
Cl       9.37015003       5.22964001       6.30303001       0.70362463      -0.12582945       0.14560649
Cl       1.53484000       0.70176699       0.39569502       0.85900691       1.38085215       0.85327470
Cl      10.84110005       3.74940003       1.85257997       1.31104498      -0.80129860       1.28865677
Cl       8.30867004       4.14593996       9.73762996      -0.71238084       0.08432533       0.54959135
Cl       9.36286001       1.62216995       4.32384002       0.11051784      -0.16200713      -0.35293160
Cl       6.93008005      10.48849995       3.48364001       1.09834514       0.16021345      -0.19532694
Cl       2.67298999       3.20064999       9.15702001       0.59865822       0.50344386      -0.70567300
Cl       6.39924994       0.85441101       8.93672997       0.79915213      -0.91082856      -0.57846603
Cl       7.15964996       4.07159995       2.42731999       0.86035302      -0.41745976       1.00952207
Cl       9.54355999       6.81101994       9.68284996       0.89757933       0.61062099       0.15168345
Cl       9.53903000      10.53810005       5.98284000      -0.16964982      -1.52398955       0.76430643
Cl       1.06002998       5.74609998      11.37039486       0.56088798      -0.09343735       0.09999210
Cl       3.30972001       8.65859002       2.97338004      -0.45831549       1.02167492      -0.10484933
Cl       0.53001992       9.87349005      10.66259995       0.40054391      -3.21836508      -0.90436863
Cl       8.97814995      11.08491514      10.57780005      -0.62899613       0.08777942       0.32477202
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-227.69883173 stress="-0.008182028098409263 0.0020378674283548755 0.0041242125457433216 0.0020378674283548755 -0.005943248682061908 -0.0075496251118433505 0.0041242125457433216 -0.0075496251118433505 -0.009643002200522437" free_energy=-227.69883173 pbc="T T T" config_type=melt 
Li      10.84569998       2.77991997       0.99543301       0.06700725       0.19028122       0.66648189
Li       9.31585004      11.09400001      10.61199994       0.04490587       0.46681615      -0.14890795
Li       0.84564898       4.40824005       3.43242002       1.98962008       0.77373021      -0.18904618
Li       2.95453001       1.01570999       4.63958005      -0.95529107       0.67601698      -0.52138098
Li       9.22871005      11.10080005       2.23945001      -1.59864691       1.01045637       0.50928132
Li       1.12771005       7.76586997       7.97894004      -1.13879853      -0.21046692       0.96492827
Li       4.67172005       9.08593998       3.69784000      -0.30339420       0.10519130      -0.12365899
Li       0.36282498       5.42896005      10.68139999       0.01559770       0.40462121       0.29623114
Li       5.20555001       4.56341000       4.52464996      -0.64214599       1.80038763       1.92190208
Li       9.39438002       5.41951004       5.55589004      -0.04115164      -0.21050840      -0.37927390
Li       9.85750002       1.63855998       5.33510004       0.15461763       0.25767344       0.03675648
Li       8.96159003       6.77428999       8.75360002       0.68029235       1.82081134       0.23392300
Li       9.71263004       2.88204997       8.80944998      -0.60529880       0.64847567      -0.66001087
Li       0.56700701       9.55789000       4.90099006      -0.16274456       0.07809983      -0.62250539
Li       7.86246994       9.24099001       4.88629996       0.08408426      -0.46121640       0.18459638
Li       6.21935005       3.86437999       7.51846003       0.18305587       0.06252229       0.43103244
Li       2.23061002       6.90455998       5.25457001       0.54214053      -0.45612767      -1.02472905
Li       2.18519003       3.57205999       7.64108002      -0.41645938       0.41430969       0.38550346
Li       1.82680002      10.85360002       1.67118995       0.05898890       0.29435761      -0.08540820
Li       7.68286996       6.78232003       0.90904198      -0.01541233      -0.05866167       0.00751070
Li       4.09985997       5.36911995       1.58378995       0.14980893       0.06545053       0.38702040
Li       9.40458001       9.88976004       7.17191995       0.10757949      -0.36620608       0.21530115
Li       1.39862004       0.53831995       8.22876000       0.05924265      -0.64098781       0.54544549
Li       8.04898002       3.50514001       3.13189997      -0.05064000       0.26423783       0.06040736
Li       5.96556001       0.54681005       7.30002996      -0.29727628      -0.43148148       0.08084536
Li       6.28913003       9.45231005       9.89002005      -0.11480107      -0.02442813       0.50099660
Li      11.08550005       7.67529998       1.69753005      -0.20093521      -0.58283183      -0.20945728
Li       3.90790000       9.59305003       7.25767001       1.73143903       1.62112795       0.20760239
Li       7.08299004       2.14625998      10.93249994      -0.05240543       0.12710905      -0.02950966
Li       4.12372001       5.80040995       9.89984001       0.97441888      -0.33066348       0.24500947
Li       3.71081000      11.39190001      10.35009995       0.07393081       0.36983194       4.33964111
Li       5.80342998       0.90810099       2.46251005      -0.18047728      -0.18286257       0.17827106
Cl       5.64281003       6.97081997      11.08393506      -0.18404213       0.18486645       0.25218900
Cl       3.86869996      11.38871879       8.55841996       0.51311534       0.82924424      -4.86738876
Cl       4.09286997       0.09061986       1.09225000       0.61926647       0.10787739       0.33821071
Cl       8.39973999       9.24351995      10.34760005       0.42741626      -1.08290301       0.40909590
Cl      11.11540004       7.34125000       9.62450996      -0.23881493       0.15755940      -0.15109314
Cl       8.88355004       7.47513996       6.24526999      -0.09791402       0.90913155       0.34048532
Cl       7.08006000       0.60151094       9.32152004       0.63729832       0.69226561       0.43072493
Cl       9.74769996       5.75902000       1.03716001       2.26458104       0.09612013      -2.21971289
Cl      10.00210001       1.76641994      10.58459997       0.52425225       0.18237931       0.78099942
Cl       0.66922494      10.32559999       6.92003000      -0.58902176       0.05046063       0.60722315
Cl       1.12279004       1.34197997       3.09213003       0.42497872      -0.30445511       0.08162328
Cl       1.91164004       4.83075999       1.01013996      -0.18417627      -0.04672660       0.26081518
Cl       7.93553994       5.77690003       2.94446002      -1.80672383       0.46278226       1.92987544
Cl       9.54930004      10.75399996       5.09863998      -0.28295207       0.75180789       0.09267165
Cl       7.99450005       1.40993002       1.67012997      -0.02694783       0.36634165      -0.09024752
Cl      10.51600001       3.69228005       3.43858001      -2.60502478      -1.60204484       0.04539252
Cl       6.76620000      10.05930001       3.19547995       0.06525278      -0.37589717      -0.64400333
Cl       5.63130998       3.42283003       3.08479003       0.12517410      -2.15177155      -2.45278822
Cl       4.57183005      11.27530003       5.02031005       0.54062850      -0.28608048       0.77436097
Cl       0.34506004       6.05489002       5.04999004      -0.45433588      -0.10417623       0.14669506
Cl       2.23221995       5.47981995       9.07572003      -0.66267670      -0.58371909      -0.66911712
Cl       1.69787994      10.95129999      10.49670001      -2.00610080      -0.26182201       0.48816665
Cl       2.22713004       9.21772005       3.32414001      -0.01728458      -0.07532840       0.01159177
Cl       3.70523996       3.54487005       6.16907999       0.56441116      -0.24027590      -0.30098280
Cl      11.17352508       1.89983998       7.43516997       0.44111106       0.70998173      -0.36884999
Cl       5.62418000       3.49482995       9.74802004      -0.68776360       0.41808976       0.02620780
Cl       6.44609998       9.70061994       7.78586001      -0.21828272      -1.07688735      -1.97229287
Cl      10.57430000       9.70999004       2.29297995       1.39770465      -1.31298882      -0.48753820
Cl       8.31593003       4.94699002       8.43447997      -0.01125819      -1.51026292       0.59992683
Cl       2.67820005       8.18698004       6.76350004       0.80406451      -1.24644677      -0.38129157
Cl       3.97291004       6.51800005       3.87479002       0.58652594      -0.28436452      -0.32032949
Cl       7.90333001       3.38811998       5.98539000      -0.00331254      -0.86782305      -1.09541880
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-228.41186943 stress="-0.01132977459185254 0.001142173944022639 -0.004754891633730173 0.001142173944022639 -0.01313574869760077 -0.0005606250761239419 -0.004754891633730173 -0.0005606250761239419 -0.01064242951659478" free_energy=-228.41186943 pbc="T T T" config_type=melt 
Li       6.93046995       1.90575004      10.11930004       0.10405105      -0.17117316       0.04255297
Li       7.37158999      10.49300003       4.74533001      -0.04199145      -0.29115992      -0.31076397
Li       9.66299005       0.05955155       8.23390001       0.29227994       0.31990463      -0.62724030
Li       0.54145302       4.06552996       7.60248002       0.12712089      -0.90067145       0.17963845
Li      11.11889997      10.89950001       4.54095996      -0.11757867      -0.32850793      -0.42774016
Li       4.12113997       7.25068001      10.38600000       1.17727486       1.19161509       0.00122302
Li       2.46805005       5.52678005       5.19853994      -0.35215768      -0.94105237       0.00696928
Li      11.18399999       1.87802001      11.24349995      -1.42844533       0.24540752      -1.08670240
Li       2.72055002       7.30448005       2.82088998      -0.01031057       0.03792910      -0.85786897
Li       8.39859001       7.95253000       8.41043995      -3.24248922      -2.61863863      -0.38313916
Li      10.73069995       8.24630998       2.05670996       0.47162870      -0.65757501       2.77714201
Li       1.77717997       5.46959003      10.91950002      -2.37801707       0.15766855       1.01061921
Li       8.58474997       1.97031996       5.85032003      -0.19110803      -0.43357687      -0.40323402
Li      11.24190000       3.77120004       2.53208998       0.71477258       1.19784381      -0.27984851
Li       5.14720003      11.03039997       7.14691005      -0.02655231      -0.36758289      -0.24729069
Li       4.58425000      10.21899995      10.64619995       0.31114589       0.21760279       0.04706735
Li       5.05325003       2.93607000       5.38284005       0.07203944       0.23222568      -0.12610991
Li       3.44473002       2.94810004       9.52729997      -0.02948423       0.13959507      -0.30725697
Li      10.36700002       7.66937994       5.79897003       0.27893277       0.12748997      -0.36874992
Li       0.07924420       8.56930002      10.11760000       0.41151962       0.03665904      -1.47026911
Li       6.07534001       4.76261000       0.58234198      -0.22356895      -0.73469004      -0.55511056
Li       6.14885998       8.64885994       1.45033002       0.10842461       0.11984322       0.02646808
Li       1.98103001       1.06599003       6.12462999      -0.09794239      -0.02397032       0.26299479
Li       7.08136005       1.32658997       2.24257999       0.19490666       0.30252508       0.46968540
Li       2.00327002      11.13910003       1.87324995       0.39337667      -0.63576811      -0.01813905
Li       9.19387996       6.38406000       0.23310997      -0.62848091       0.06968210       0.55094615
Li       8.59730003       9.48850004      10.78190000      -0.70421577       1.01793775      -0.30124951
Li       8.15493004       4.76652999       3.56608997       0.48138947      -0.20322370      -0.97686793
Li       8.95974004       4.66735995       8.66525994      -0.23078607       1.37586680       1.21851277
Li       3.18696004       2.47526005       2.47277998       0.00904475      -0.55015932      -0.70664983
Li       2.41187003       9.21918002       5.32161002       0.15077687       0.39242431       0.21702263
Li       5.76636998       6.78211001       5.49936002      -0.39184774       0.78919655      -0.05333196
Cl       9.56064005       5.52925003       2.10083999       1.69445475      -0.24348389       0.61635481
Cl       5.53551996       2.42088004       1.16359004      -0.42584926       0.41209738      -0.54373137
Cl       1.64333003       5.41733000       2.19505998      -0.57128909      -0.34973530      -0.77565931
Cl       6.84938000       6.44693997       1.63110005      -0.84382216       0.84105460       0.05894593
Cl       2.07520999       0.14161000       4.00984004       0.02007483       0.12870981      -0.10899816
Cl       9.76135999       2.38584004       2.80509003      -1.00354753      -1.13038028       0.53583162
Cl      10.24879997       8.53170005       0.21220703      -0.38265797       0.51606480      -0.03624904
Cl       7.17945003      10.72369998       1.77462000       0.25680208      -0.98823728      -0.31137853
Cl       8.22967003      11.32950005       6.59935998      -0.89034583       0.42124676      -0.10591906
Cl      11.23069997       0.17455501       6.53758001       0.24394338       0.90340444       0.01104483
Cl       4.94450995       0.66728496       9.14075999       0.15318710       0.30415855       0.64875645
Cl       0.71931502       3.67001997       9.77904995      -0.06626598      -0.29944174       0.37138205
Cl       1.36428005       1.50897005       0.88183403       1.30995980      -0.02636387       0.70059951
Cl       6.06307999       8.98965000       6.07128005       0.04125601      -0.10080835       0.19959675
Cl       9.24548000       6.49088004       9.66498002       0.79884578      -0.31679480      -0.84474589
Cl       3.77464001       3.92237996       3.80952995       0.27976017       0.44525091       0.57100257
Cl       0.09751505       5.96943998       6.95782005      -0.09131508       1.08135732      -0.84713024
Cl       6.60137999       8.53309995      10.16689996      -1.12686813       0.17548939       0.14685244
Cl       2.07081997       7.72779996      10.41260000      -1.18115075       1.31062618      -0.07471185
Cl       3.85198997       9.42230998       1.41592996      -0.12106072       0.02321281      -0.32050536
Cl       3.15870001       3.27438996       6.84277004      -0.49736999      -0.23129081       0.67585041
Cl       0.96289899       8.24625002       3.78564996      -0.56139127       0.63549804      -0.10077302
Cl       9.47199996       8.92099994       3.92455004      -0.54803379       0.38868440       0.57327035
Cl       2.50151004      10.64860000       7.27885004       1.23497052      -0.66149286       0.02681257
Cl       6.83500001       5.02816996       5.07449001      -0.27549400      -0.59404337       1.11040547
Cl       7.21660003       4.13624003       9.94205000      -0.94132183      -0.21167294       0.74958673
Cl       6.21686001       1.15668006       4.51624996      -0.13696566       0.30797461       0.05731556
Cl       3.59668997       7.25799996       4.76635997       1.20433887       0.21181918       0.82750321
Cl       9.02668994       3.12159002       7.59278995       0.81710264      -1.94629684      -1.76980273
Cl       9.21936001       0.60414704      10.23480002      -0.11708213       0.55759965       1.22976064
Cl       9.51763994       9.35327002       8.53663003       3.35364121       2.39145827       0.13698722
Cl       3.59836994       5.33621999      10.35380005       3.16978565      -3.06933206      -0.71153373
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-231.04762815 stress="-0.013644369051574666 0.0007036897214472199 -0.002793475938854494 0.0007036897214472199 -0.012373342821655534 -0.0036619118790227204 -0.002793475938854494 -0.0036619118790227204 -0.009400399509312325" free_energy=-231.04762815 pbc="T T T" config_type=melt 
Li       1.77619003       9.94895001       0.52220598      -0.31431854       0.01439265       0.88270480
Li       1.55680005       3.85458995       6.17005995      -0.19412497      -0.52566297       0.06013301
Li       4.79822998       9.60014997       7.38090999       1.18020692      -1.04696962       0.81880205
Li       3.36561995       3.95454999      10.10309998       0.65781729       1.24238220      -0.25448893
Li       9.63605002       3.77968006       3.46263000       1.04321870      -0.40122791       0.72847042
Li       8.85317004       4.62971997       0.08590827       0.39643478      -0.09369299       0.18727285
Li      10.72400000       8.97175999       5.84990996       0.24386097       0.63923995       1.00745404
Li       0.92370605       3.31146006       1.61911002      -0.38753428      -1.04817983      -1.17183152
Li       6.09050003       1.41917000       6.14259005      -0.08704045      -0.44274836      -0.64538026
Li       3.91616002       7.85067996      10.81640003      -0.08415229       0.03912803       0.01205204
Li       8.92436001       7.69349998       1.79717001      -0.16114301       0.21933951      -0.05879542
Li       7.47763000       7.52616999       9.40312004      -0.49719637       0.30895964      -1.14015385
Li       1.47718006       7.01257999       7.65873994       1.38294940      -0.05113882      -0.16499019
Li       9.58916994      10.94180000       2.85279003       0.02756987       0.71075801       1.17612512
Li       6.80981998       9.87930003       4.38500001       0.81134896      -0.77149143      -0.72754504
Li       0.39550299       6.66468999       2.72193995       0.36145223       0.38128333       0.50525063
Li      11.42779158       6.99143997      10.39449996      -0.03094326      -0.06305789      -0.29251097
Li       5.89551005      10.94540001      10.74309995      -0.16248683      -0.00688514       0.04941858
Li       9.39266003       5.31861005       7.10243999      -0.05108033      -0.57466871      -0.22410022
Li       3.50360999       4.62301004       3.34290004      -0.19970869      -0.18979237       0.43703428
Li       5.24882996       4.93338995       7.30054000      -0.88963959      -0.04054295      -0.17383929
Li       9.58100004       0.55055405       6.80836000      -0.48430186       0.98163495       0.73700241
Li       9.23449997       0.98228795      11.31559996       0.19352532      -0.04796578       0.17421444
Li       3.59002005       1.59009003       7.64970999      -0.58134176       1.47812287      -0.45507842
Li       1.19823005      10.27190004       8.64730000      -0.01130072       1.20890280       0.75303567
Li       7.02175003       2.25698004       9.07164998       1.32671608      -0.50067178       0.72890547
Li       4.07642997       1.79366997       1.22193004       1.34137706      -1.52205879       0.94978785
Li       5.92868997       5.74552001       1.49214002       1.16626135      -0.39060422       0.13945143
Li       6.91906001       2.17992999       2.29933001       1.02689562      -0.59509788       0.18937275
Li       4.37897002       8.36596003       2.70933004      -0.58223674       1.46590764       1.24817469
Li      11.07659998       2.74588997       8.98050001       0.29523068      -0.30747823      -0.60092172
Li       2.44489003       9.90230999       5.31835004       0.64647987       0.31925407      -0.79100444
Cl       3.07415003       5.36900003       5.79413004       0.38603166       0.55370490      -0.00970067
Cl       3.84968003       1.98042997       5.11152996      -0.28456794      -0.03765542       0.14291349
Cl       3.51579996      11.08730005       7.55901997      -1.17767832      -0.14595239       0.74372354
Cl       9.70195003      10.78019996       5.20679996       1.10719958      -0.90175758      -0.57234111
Cl      10.74339997       6.27099996       0.87599504       0.27114679      -0.13086634      -0.12763391
Cl      10.11720001       2.13298996       1.95851003       0.76352951      -0.91774545      -0.30757511
Cl      11.10300004       6.20045004       8.15538001      -0.66983833      -0.12796584       0.66384037
Cl       6.47887006       8.27644005       2.41535999       1.86259823       0.42929056       0.23696781
Cl       5.59845003       8.83028000       9.56997002       0.23637812       0.50920993       0.02864373
Cl       5.14698003       9.31692000       5.35766002      -1.37304569      -0.86910962      -0.19096233
Cl      10.85360002       0.28101599       8.55881995       0.51489350       0.03445310       0.83469376
Cl       1.31097001       9.14269997       6.96866996      -0.77988569      -1.38886965      -1.21301330
Cl       0.83410995       4.43027004       3.26290000       0.26508197       0.88511303       1.56587311
Cl       9.09987000       3.10858999       9.97820994       0.59450181       0.28853195      -0.47133751
Cl       7.35325998       0.28421097       7.82156998       0.26583541      -0.36524793       0.11441028
Cl       7.93159004       6.55164003      11.11809999      -0.52201891      -0.05349051       0.53714680
Cl       2.12030003       2.99974995       8.79887005      -1.37790633      -0.53818535      -1.39859763
Cl       4.12329995       6.81380003       1.47227999      -1.95718991      -1.53887032      -1.21679131
Cl      10.23779999       3.16401004       6.48004996       0.23748905       0.19556632      -0.23111324
Cl       1.83616003       9.18199999       3.05869996       0.56107441      -0.02811858      -0.24082025
Cl       1.39274999       8.70716005      10.23050000       0.06667481       0.08642384       0.41185791
Cl       7.31381002       0.37947696       4.18868006      -0.84449541       2.20771266      -1.16264468
Cl       8.16420005       4.39823999       2.18026005      -1.25676879       1.01292470       0.03129349
Cl       5.23232002       3.38695005       2.32924995      -0.76633785       0.94576910       0.33521273
Cl       3.62103001      11.09659999       0.62141993       0.80618954      -0.03855080      -0.30407242
Cl       5.43325996       2.66348003       7.89045001      -0.77313048       1.69111470       0.12906975
Cl       7.22904004       5.70195998       7.11456003       0.36835100       0.64200173       0.25718865
Cl      10.58990002       7.84530998       4.21720995      -0.70145459      -1.60432508      -1.35556980
Cl       6.99242005       1.57833995      11.39757483      -1.06723301      -0.85270881       0.30906400
Cl       9.53005003      10.21559999       0.93916999      -0.03945256      -0.56994791      -1.08823656
Cl       3.36044005       6.32550000       9.33090000       0.06065324      -0.93891706      -0.41395216
Cl       2.83265004       3.02122002       0.41451902      -2.15942026       1.17709812      -0.12155968
72
Lattice="13.0898054 0.0 0.0 0.0 13.0898054 0.0 0.0 0.0 13.0898054" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.03649789 stress="-0.0041095995750532925 -0.00155297133143637 0.004765244175256911 -0.00155297133143637 0.0017384180519431534 0.0009091574493657723 0.004765244175256911 0.0009091574493657723 -0.00511709747450086" free_energy=-249.03649789 pbc="T T T" config_type=melt 
Li      11.70660003       8.50548996       3.50229001       0.72852789       0.15546389       0.56382855
Li       2.46417000       9.50297004       3.99679995      -0.10390317       0.78505847       0.88549702
Li       1.57643000      11.49910005       6.64118005       0.28275094      -0.64968676      -0.13693206
Li       1.85930004      10.99039997      10.00299995       3.57160457       2.07840613      -3.01860377
Li       7.17826995       3.39367996       2.08008998      -0.36599768      -0.30253307       0.01283140
Li      10.50199996       5.46252004      12.72530000      -1.25285044       0.23151141       0.25397615
Li       1.63992001       4.14823996      12.20429996      -1.12363626       0.92049237       0.23426504
Li       2.88037005       3.44838998       2.37416005      -0.02961617       0.15253875       0.32063076
Li      12.20889998       8.79802996      10.64519994      -0.48482396      -0.13463782      -0.11796511
Li      11.25349996      11.67260005       8.25829998      -0.35511879       0.99157140      -0.51245354
Li      11.74240000      12.24990000       4.13116994       1.31622235      -0.50156951      -0.55505642
Li       5.33607004      10.18020005       0.17717601      -1.02629912       0.44944843       0.90434022
Li       6.76463995       4.81921004       7.89857000       0.13712638      -0.07715370       0.03509091
Li       3.93339005       0.99605906      10.59859997       0.72665607       1.32954679       1.41479980
Li       5.39718005      12.65179996       3.51122000      -0.25153717       0.55449275       0.19691921
Li       8.93658005       9.74538997      13.08869997       0.69992807      -0.51128083       0.15371844
Li       1.59267995      12.67200002       2.63716998       0.58802113       0.55235159       0.60932552
Li       6.58410994       9.44877000       4.43081993       0.67268883      -0.99364497       1.77167911
Li       0.86525302       6.62991994       5.37690997       0.89234767      -0.01968128      -0.05368536
Li       9.03769003      13.08479999       2.62226998      -4.21040957       2.58192415       4.31982118
Li       4.70467005       0.96583600       0.89708206       0.06588184       0.89139475       0.39090150
Li       1.88176006       2.18741002       5.39357002       0.15230551       0.10806844      -0.32717474
Li      10.02289999       2.46816999       9.48201994      -0.37046380      -0.10839193      -0.35273473
Li       8.16571997      10.39749998       7.80705001       0.64568617       0.08489688       0.24163552
Li       6.84443004       3.22743001      10.93259997       0.28840013      -0.21629406       0.71493365
Li      11.86530005       5.20818002       2.45489993       0.08236093       0.09575075       0.46292764
Li       4.84997998       5.98125005       4.55753998      -0.94270036       0.26036985       1.49904988
Li       8.37030002       7.20656998       2.22728000      -1.96952194       0.18362167      -0.75459783
Li       5.60256002       1.37935002       7.25331996       0.22203093       0.24569655      -0.03081676
Li      10.60130001      12.68139994      12.22440001      -0.25232525       0.57880890       0.04782160
Li      10.01589996       5.67981998       5.17588001      -1.28963717      -0.36677722       0.90719610
Li       6.65727004       7.90901004      11.20140004      -0.10845576      -0.05562355       0.46143500
Li       4.29752998       6.75112997       1.59145003      -0.43593457       0.59003146      -0.14657197
Li       4.63613000       8.61911994       8.01106994      -0.32163396      -0.41743482      -0.27554077
Li       9.23618004       1.31012996       6.08947997      -1.67521101       1.81963446      -0.18434039
Li      10.54130001       6.01837994       9.72327997      -0.20909839       0.03757941       0.76432688
Cl       2.63721003       4.29401995       5.72638997      -0.22221586       0.14865430      -0.17774583
Cl      11.82200002       6.38052996       4.57112000       1.25919657       0.26468868      -0.62120227
Cl       0.51104302       1.42273998       3.75688999      -1.07315538      -0.35985619      -0.24288926
Cl      10.18840003       5.87241002       7.68270995      -0.03775743      -0.04788767      -1.44354672
Cl       6.76116003      10.83020000       6.23322003      -0.07614847       0.02528136       0.28015193
Cl       5.13237002       5.23674001       2.73730005       0.34775058      -2.18235513      -0.78559414
Cl       5.99294998       2.49879005       9.10599996      -1.01930100      -0.32538202       1.13486621
Cl       6.47171001       1.92626998       0.04393803       0.44232930       0.77675141      -0.12509682
Cl      10.20869996      12.98399998       5.16422995      -0.09713791      -1.30650554      -2.02459740
Cl       6.08381993       6.97635996       6.00890004       0.47783369       0.43455032       0.40098224
Cl       8.99656998       5.37088997       2.70675002       0.70009431      -2.25449103       0.27250563
Cl       3.24858000      12.96179993       9.16065998      -0.40504954      -1.30208065      -1.34376761
Cl       9.96491006       8.37475003       2.36079994       0.33916542       1.56004302      -0.70757480
Cl      10.17269999      10.10969993       9.01197000      -0.94206270      -0.66134406       0.03694731
Cl       2.68175006       8.90201996       6.78676997       0.01679547       0.14261922       0.18047541
Cl       5.60603994      10.51390003       3.12281000      -0.90030428       0.25134518      -2.00928144
Cl       3.55230995       1.41026003       3.26770996       0.79869959       0.27909397      -0.76247456
Cl      10.16799996      12.39489996       1.51817998       4.22613470      -2.78930112      -4.39963598
Cl       2.55131996       7.45516004       3.49814002       0.31908434      -0.53563973      -0.35098296
Cl       0.77409104       5.33041995       1.55545006       0.25010961      -0.66269670      -0.44224952
Cl      10.23130003       8.16070003      11.55749995      -0.64508575      -0.04855759       0.73657290
Cl       4.72097000       7.46968999      10.14399993       0.36055249       0.38711868      -0.35828729
Cl       2.56757999      11.88590000       4.73893995       0.46762353      -0.13807471      -0.54778231
Cl       8.56454003       4.62082998      10.23229996      -0.09774005       0.17168002       0.26475364
Cl       6.29717002       6.95930002       0.51002097       0.54996477       0.86026817      -0.52944765
Cl       9.91073999       0.60986699       7.83110999       0.35944091       0.25323342       2.91758952
Cl      12.05570004       5.54815996      11.47649997       1.51444583      -0.48280577      -0.90947567
Cl       3.88771003      12.25680003       0.31306495      -0.45250547      -1.27269493      -0.25689879
Cl       0.22697003      11.78459996       8.24355994       0.49254066       0.42017502      -0.24595607
Cl       9.77981000       1.62214995      11.46159998       0.40290120      -0.54446906       0.52900024
Cl      13.05629995       9.99906005       4.52523997      -0.53750831       0.17604541      -0.44850852
Cl       0.49036702      10.39570001      10.95589996      -3.39288506      -1.71918099       3.57167152
Cl       7.11133000       3.08471003       6.53815006       0.71629929      -0.14593129      -1.44231209
Cl       7.10498000       1.14031002       3.37928000       0.33267261       0.01710939      -0.10148189
Cl       7.07047998      10.30630004      12.20609994       0.62103691      -0.04027321      -0.92389524
Cl       3.09524994       2.74290995      12.15509996       0.61082055      -0.67307991       0.17469062
72
Lattice="13.1138195 0.0 0.0 0.0 13.1138195 0.0 0.0 0.0 13.1138195" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.51810409 stress="-0.0015897524136435086 -0.000336440666404711 0.002418931227485304 -0.000336440666404711 -0.005961347260972341 0.002076926417974105 0.002418931227485304 0.002076926417974105 -0.0016518041679315961" free_energy=-249.51810409 pbc="T T T" config_type=melt 
Li       6.13540995      12.53990001       2.67383003       0.19916168       0.22999555      -0.38784394
Li      12.65440005       3.57566005       4.24904000       0.80910252       4.34342999       1.80018691
Li       2.30620994       4.96508995      11.47579998      -0.01864401      -0.11835533      -0.05274246
Li      10.72319997       9.04202995       8.52872004       0.09085486       0.01829653       0.46378882
Li       5.84225996       4.61794000       6.84361994      -1.01497965      -0.04586189       0.67013161
Li       7.80921001       8.31063998      12.15249995      -0.11034759      -0.00852682      -0.04666987
Li       6.75414002       3.98114998       3.61354994      -0.60876356       0.02045366      -0.44380548
Li       4.16686002       4.36390998       1.87277997      -0.22305762      -0.36201821      -0.85935269
Li       8.42536006       5.89971003       9.52339001       0.84191462      -0.35818880      -0.31628476
Li      12.30199998       6.97726996       6.16276997      -0.33302252      -0.41527282      -0.42682159
Li      11.43890005      12.09439996      11.26219999       2.75072843      -2.42425722      -0.79451211
Li       6.79860007       8.04704001       2.77228006      -0.34725216       0.33406410       1.16579690
Li       2.15656998       4.19227001       7.15992002       0.47645425      -0.01917874       0.44983406
Li       0.94084206       6.86419998       1.51971005       0.05513442      -0.68044046      -0.30123352
Li       6.29414002      11.52820005       5.91960002       2.80291681      -1.14356105       0.28006374
Li       9.07400000       3.93577000       6.10776996       0.07213554       0.33263579       0.13503417
Li       5.26421001       5.24381999      11.70660005       0.40920084      -0.23971139      -0.16061352
Li       6.09369004       9.13123999       9.42144003      -0.77980457      -0.43735016      -0.27776459
Li       2.21676005       7.35411995       8.32046000       0.00794946      -0.22490131       1.53085628
Li       2.18472994       0.61723601       8.06536002       2.07847235       0.50644359      -3.06038552
Li       5.95794994       2.32784997      12.69469055      -0.37834538      -0.19674157       1.00997610
Li       9.97277005      12.90399996       3.36799997      -0.24418536       0.20539365      -0.05246343
Li       8.14060003      12.01519996      12.80230006      -0.17394091      -0.45657566      -0.34581634
Li       8.98047001       7.50150997       5.96375006       0.12688095       0.04926811      -0.03614225
Li       0.80250202      10.27639995       0.98884494      -0.16842571       0.29523620      -0.28948893
Li      10.34129998       7.87139994       1.10732003       0.09871471      -0.77451117      -0.17269063
Li      11.87640002       6.96334006      11.05549996       0.03011405       0.04154477       0.07748119
Li       8.96363003       1.50661997      10.13059998      -0.37638977       0.93582034      -0.50073629
Li      12.11299994       9.50445995       3.78644005      -0.28079681      -0.45921684       0.59720010
Li       4.12975001       1.59797005       4.75539001      -0.15246555      -0.05930787      -0.09500836
Li       3.13744997      11.62609995      10.18109999      -0.47968729      -0.67413119      -0.10174942
Li       4.92737002       2.24046000       9.88845999       0.41604262       0.90713225      -0.29246712
Li       8.92041003       5.05344995       1.65819999       0.26224494      -1.42364416       0.03720592
Li       3.55453002       9.56481997       5.36427999       0.43875181       0.92789238       0.11412630
Li      12.75479997       0.20494395       1.67398994       0.51001319       0.56337739       0.14780775
Li       2.30941994       1.10459997      11.70920000       0.55189253      -0.19106357      -0.01493507
Cl       7.31255006       9.00380999       5.31260000      -0.43332811       0.42664536      -0.19333088
Cl       0.44337102       8.81463999       2.24417003       0.19983363      -1.06027771       1.36355178
Cl      12.48470001       6.51448995       0.04239016      -0.13681448       0.04884923       0.63099562
Cl       4.52023995      12.04940002       5.59677005      -3.80267605       0.10057159      -0.45736928
Cl      12.26510005      11.58779999       2.83657004      -1.00462929       0.27181861       0.22868356
Cl       4.47515005       3.83582001       3.94217007       0.30802130      -0.07705920       1.17426467
Cl       7.12832004      13.06084269       4.56347005       1.19931491       0.50727646      -0.08682907
Cl       4.02270006       4.97463996       8.86657006      -0.02988861      -0.22111357      -0.83586889
Cl       0.48699795       4.68679005       5.91745001      -0.41033727       0.75461700       0.13138114
Cl       6.70459995       6.93697001      10.21010002      -0.83466208       0.16296004       0.39082420
Cl       9.21098998       3.14515998       8.02707999      -0.04822561      -0.70660903       1.16445176
Cl       0.81105394       6.00514999      10.22450004       0.01354633       0.32180637      -0.89943551
Cl       8.80226999       4.10219000       4.03274997       0.98513837      -0.82059240      -1.63986181
Cl      10.15909998       6.83432998       8.03506998      -0.30801715      -0.63237362       0.85285484
Cl      11.63180001       9.96773001      10.53179997      -0.17675791      -0.26608896      -0.14226924
Cl       3.41606999       9.75683003       8.91572997       0.48194870       0.15601672       0.65202032
Cl       2.69925996       5.74585004       0.45672797       0.62360731       0.00890656       0.40252721
Cl       2.65059995       2.08245001       6.49255998       0.38485000      -0.15566369      -0.11405888
Cl       2.77338005       8.01763004       6.47568996      -0.33361859      -0.71176901      -1.44562161
Cl       8.29313001       6.91868003       1.94484998       0.88418554      -0.86226393       0.52256438
Cl       7.47297994       5.64525000       6.15832006      -0.14776059       0.64819526       0.35574147
Cl       4.35970005       0.25062594      10.10069994       0.57957670      -0.40658351       0.03095263
Cl       7.41953994       9.37541000       1.28635003      -0.39321129       2.71437635      -1.18954530
Cl       6.93827995       3.06780995      10.92979994       1.22986690      -0.25534803      -0.95587788
Cl       6.35447998       4.20793001       0.99973701       0.22600215       0.29426968       0.10316442
Cl       1.25346005       0.30996506       9.59443006      -2.51386245      -0.66493043       3.58935117
Cl       4.03293999       3.12264001      11.66879999      -1.61413973       0.72159169       0.13874337
Cl       3.82732002       1.60006000       1.28616001       0.10210352      -0.45784636       0.33238900
Cl      11.11620003       9.05038004       6.37397997       0.67745308       0.92293954      -1.27454302
Cl      11.34539996       6.54935003       3.84338996       0.20085144       0.43894791       0.22585264
Cl      10.03740006       0.16488045      11.50739995      -2.46236483       1.87322907       0.73953044
Cl       6.92945999      10.24549999      10.99629999       0.65152652       0.76750775       0.58807032
Cl       9.64972002       6.79177996      12.08920006      -0.48717211       0.25698741      -0.53676093
Cl      12.28629998       1.98947998       3.54423003      -1.16041364      -4.71997437      -2.45717667
Cl       1.38684005      11.72799997      12.89499995       0.17492547       1.71029715      -0.94051181
Cl       7.91267005       0.35898045       1.31431000       0.03655580      -0.08748400       0.10118388
72
Lattice="13.06155033 0.0 0.0 0.0 13.06155033 0.0 0.0 0.0 13.06155033" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.14168738 stress="-0.006481550669997144 -0.0007818005853652762 -0.00293967043261951 -0.0007818005853652762 -0.0021539494180590657 -0.001689008905053672 -0.00293967043261951 -0.001689008905053672 -0.007440043460406985" free_energy=-249.14168738 pbc="T T T" config_type=melt 
Li       8.00347999       2.69883996      10.36870000       2.65807911       0.18164786       0.51142078
Li       2.98009002       6.41308994       8.14284999       0.03895866       1.42577509      -0.74595979
Li       2.78704004       0.96847294       6.11065001      -0.40669706      -0.27810938       0.34936796
Li       2.84562998      10.21600003      12.10799995       0.09362109      -0.54991490       0.10679186
Li       3.32351004      10.41520004       4.94621998      -1.18753953       0.40828986       0.21355156
Li       6.62357996       4.78676000       4.49442997       0.01605454      -0.69353153       0.99964504
Li       8.31994006       3.82648005       1.28516995       0.44440397      -0.62468415      -0.44713114
Li       0.43407398      12.58800003       1.04498006       0.89533174      -1.20492777      -0.41855309
Li       4.46936994       1.90333003       1.83157000       0.43069435       0.16012510      -0.09193160
Li       8.97861001      10.65270003       6.58445004       0.62111802       0.44431806      -0.16414328
Li       7.06714002      12.24220006       0.71374202      -0.04829605       0.41536921       0.07495831
Li      12.89020003       5.95144003       9.44954003       0.08866167      -1.30423766       2.19917174
Li       3.53606000       5.52460006      12.85440002       0.04357692       0.03788401      -0.01122286
Li       1.29046994       9.57236001       3.00328994       0.16132215      -0.33789765       1.36938724
Li       6.47665006      11.48839997       4.36463995       0.85353629       0.13682897      -0.41159407
Li       6.02993002       7.75506001       6.67061003      -0.77790127      -0.63680633       0.05640731
Li       5.72115000      12.82819999      10.77100006       0.21903634       0.93295922      -0.09617451
Li       4.47846000       6.40428999       3.35496996      -0.38395036       0.16049832      -0.70357678
Li      10.60259998       7.26950994       3.21120997      -0.00207597       0.82693468       0.71943942
Li      10.98590005       3.99686000      11.67270001       1.06220030       0.44001477      -0.44526815
Li      12.51510000      11.83130002       5.77389006       0.80278076       0.38164676      -0.76072587
Li      11.16719999       0.40083403      11.43839996      -0.32172913       0.58284841      -0.09506153
Li       1.15510996       7.13894002       5.31582998      -1.05992889      -0.34920640       0.05616499
Li       7.94059006       7.88460995       0.89521698      -1.26318966       1.16267134      -0.64139207
Li       9.57965998       6.83066000       9.61214000      -0.04042879      -0.24237708      -0.04744274
Li       3.73246000      11.63820001       7.84325003       1.19505836      -0.27116055       0.57924980
Li      12.70839997       9.37282001       8.09318005       0.64138304      -1.07959903      -0.65011698
Li      11.96649999       2.62189999       4.52362005      -0.36672131      -0.21301823      -0.18791210
Li       0.43479498       6.34738003       0.98332798       0.89652982       0.31637713       1.60005734
Li       8.45632994      10.92930004      10.97709996       0.21954479      -0.87843378      -0.15792738
Li       7.72632995       1.34881001       4.39759006       1.30585115       0.57701500       1.79881941
Li       2.57937994       2.53194000      10.65459997      -0.54581394       0.11959365      -1.21914530
Li       5.19481994       8.53131003      10.45239998      -0.18453612       0.13618118       0.34727177
Li      10.71779998       3.04172003       8.04866002       0.92296375      -0.88304516      -1.06904186
Li      12.20150001       9.76121004      11.32710001      -0.81400198       0.39758870       0.90924390
Li       5.72903996       2.19879000       7.74651998      -0.12746198       0.10928594       0.11415209
Cl      12.15449998       6.14206996       3.80600006       1.48050214      -0.64929361       0.44211648
Cl       9.58302006       7.01211994       1.50238994       0.62621474      -0.70381104      -0.76826535
Cl       0.57849894       1.60605998       5.61756995       0.32748298      -0.21768587       0.34411765
Cl       8.33493002      12.39069996       5.06066006       0.58910607      -0.51438093       0.30762280
Cl       2.70088997       8.52869002       4.84111003       0.16449083      -1.38733983      -0.84949540
Cl       4.94680997      10.82889996      10.67619998      -0.37591121      -0.29301605      -0.00858518
Cl       3.77058001       0.54827294       8.68442994       0.19200752       0.93693162      -0.10930395
Cl      12.39990000      11.99739996      12.42100002      -0.49906487      -0.50418620      -1.24331727
Cl      12.38580005       2.83039995      10.01530003       0.06665683      -0.39381558       0.18181013
Cl       5.00563005       6.06015000       5.33354001       0.35760051       0.16830630       0.90522111
Cl       6.15023003       2.73374003       5.43024002      -0.62111962       0.05371066       1.35933525
Cl       7.21982994       9.42510996       6.46229999       0.48913665       0.09080582      -0.09743887
Cl       2.59487995       4.75038998       9.03496995      -0.40652381      -2.20964240       1.18592281
Cl      12.66139994       0.70361801       2.30940997      -0.77393728       1.57007727       1.44408458
Cl       9.70734003       4.27835000       9.26696006      -1.28988425       1.95046780       0.73906155
Cl       7.87878999      10.30640006      13.01407329      -0.15104362      -0.91373728       0.68204324
Cl       4.80645003      11.54999994       5.51535000       0.87229128       1.55007841       0.66297860
Cl       6.13896000       2.54883994      10.13410006      -2.18134806      -0.48223270      -1.07452139
Cl       6.59979997       1.30346997       2.82049995       0.17836214       0.71890847      -1.62461657
Cl       4.13851996       7.84068004      12.34299996      -0.04004719      -0.09404653       0.12841071
Cl       0.94966901       9.69312005       1.05299998       0.38629811       0.05305932      -1.93414281
Cl       3.82170997       3.35321005      12.05092032       0.21500863       0.41667914       1.60705918
Cl       8.30822999      13.02140004      11.19090004      -0.03112469       0.54116464      -0.27839770
Cl       4.97227999      12.94689996       1.19600006      -1.51147924      -1.63010757      -1.67021590
Cl       9.79758998       8.97739006      10.13869995      -0.04039311      -0.02534492       0.08458242
Cl       9.59349999       2.79994995       5.38095997       0.85380672       0.06989720       0.20615879
Cl       4.64178998       7.80361005       8.49647997       0.27620629       0.13519560      -0.29692903
Cl       0.36586996       6.75973996       7.79719004       0.31103929       1.30380341      -2.69786512
Cl       7.09397001       5.01560006       2.49818999      -0.58549209       0.71528019      -0.65613622
Cl      12.74849997      10.05770005       4.33846996      -0.37799635      -0.00021636      -0.06224813
Cl       0.50434799       9.29151003       9.91093002       1.55110276      -0.20880925       0.97828820
Cl       2.10490998      11.15080003       6.81927999      -2.02199869      -0.11423855      -0.54658932
Cl       2.80224003       5.62835004       2.12151003      -0.27486395      -0.00083758      -0.51534672
Cl       9.33778997       2.88729005      12.29499994      -0.68431566      -0.16872098       1.01792358
Cl      12.38170003       5.94430006      12.44699995      -0.91250283      -0.47871704      -1.72007826
Cl      11.54369996      10.75329996       7.27257000      -2.23870174       0.90891072       0.23597673
72
Lattice="13.07201531 0.0 0.0 0.0 13.07201531 0.0 0.0 0.0 13.07201531" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.40042775 stress="0.00103606224710179 0.0018307443461104836 -0.003581042049618204 0.0018307443461104836 -0.008168658398888053 0.0003977628694156015 -0.003581042049618204 0.0003977628694156015 -0.006583598189526148" free_energy=-251.40042775 pbc="T T T" config_type=melt 
Li       1.54965996       1.60367994       3.55442005      -0.52598073       1.52545568      -0.74849162
Li       8.43383996       2.73601006       8.27897998       0.07725561       0.11437253       0.34242013
Li       1.26729005      10.16370001       8.87791998       0.25675305       0.67472108       0.44297614
Li      12.05890001      11.51840002       0.58613596       1.66693683       0.49148881       2.98585292
Li       3.42440003      12.72759999       7.74414004       0.60098644       0.13278873      -0.07981225
Li       7.39463997       8.03864993       4.27031995       1.08319836      -0.08883133      -1.29943690
Li       8.68985002       3.26089997       0.01468471       0.17445586       0.10640276      -0.56912444
Li       3.78659996       6.69829006       0.76906901      -0.04077240      -1.34606766       1.96377503
Li       1.66349003       5.53713000       3.98665003      -0.08338794      -1.55046503       0.59665167
Li       2.81999998       6.92581005      10.39959995      -0.20252639      -0.79914471       0.10755734
Li      12.92539998       0.08968474       6.04305006       0.46342896       0.58989660       0.27167825
Li       7.81815000       6.94602998       0.37088406       0.26542088       1.52183861       0.45078040
Li       6.34432001      12.51720003      10.26600003      -0.09976499       0.27695111       0.13472127
Li      10.54129994      10.79520005       3.62046994      -0.44632969       1.53110490       0.19468948
Li       0.57592397       0.15824106      10.37269997      -0.44025733      -0.30998088      -0.60909258
Li       5.19470006       5.84043003       3.33832003       0.86159204       0.22409191       0.22301859
Li      13.00839996       8.33593998       2.29255998      -0.64226726      -1.38649144       0.38263720
Li       5.90256002      10.03930005       1.23301994       0.72873908      -0.17960996      -0.20827556
Li       9.36596995       5.94644996       9.65905996       0.19915570      -0.48174302      -0.19583903
Li       6.38830996       4.55779004      11.01189995      -0.15814603      -0.11075027      -0.63926624
Li      10.73680004       1.02662994       3.07807006      -1.08914769       0.43226889       0.63655737
Li       8.45770005      12.71500001       1.31063999      -0.20471791       0.15965702      -0.14301900
Li       9.79272001       0.83742402      10.10680001       0.62636954       0.43675040       0.17326014
Li       9.75675994       9.85795995      11.81099995      -0.77330165      -0.44329683      -0.06891092
Li       8.33008006      12.71319999       5.82108999      -0.04904053       0.24031459      -0.29746510
Li       3.49266001      12.91940005       0.38892801       0.02739058       0.59778227      -0.86813525
Li      10.75180004       6.83218998       4.64621006      -0.16910876       0.18879088      -0.20218741
Li      12.02259993       5.53983002      11.49889997      -0.10864810       0.79117778       0.39782625
Li       2.60231994      11.12679995       3.28911997      -0.02435403       0.28642139      -0.31043284
Li      12.73999998       3.12138000       9.35686006       0.61888745       1.38872235       0.51915012
Li       4.66594005       2.19630001       5.05391994       0.23347499      -0.60596474       0.14677175
Li       0.62730301       2.61196003       0.19887294      -1.23257958      -0.00530312      -0.90049960
Li       7.36133000       4.89827996       5.83809001      -0.24630294       0.10359025      -0.22054980
Li       3.51607996       2.93019001      11.82190005      -0.35021608      -1.04048045       0.50511562
Li       1.52201997       9.12995994      12.54089998      -0.03499889      -0.20967997      -0.13245652
Li       4.99380998       9.28086002       7.51240994       0.12680351      -0.00232434      -0.01793292
Cl       3.23868996       5.77478995       2.71685995       0.36202993      -0.00196564      -1.33763199
Cl       2.32312000       2.85270002       1.31815000       0.81498087      -0.17867119       1.42171743
Cl       1.63667004       1.36123994      11.71149996       0.70618404       0.70291423       0.19558997
Cl       9.19488995       1.82029003       1.54088001      -0.15098936      -0.05217196       0.13549936
Cl       4.50071003      11.58539998       1.78338995      -0.68850321      -0.30194190       0.74070125
Cl      11.65429996       5.25913006       9.49105005      -0.38591178       1.35860476      -2.60602940
Cl       5.35479002      11.75509996       8.22918005      -0.13077209      -0.66729590      -0.05941772
Cl      12.12529996       0.25887597       1.85155999       1.41400663      -0.24345846      -0.65071825
Cl       1.39623999      12.59010004       8.12031003      -1.51295260      -0.09314116      -1.27668304
Cl       5.42391000       4.10780996       4.59102995       0.36090639       0.48416372       0.30148545
Cl       8.33711999       0.35871806       8.61893003      -0.58826583      -0.22661778       0.03707233
Cl       5.42230999       0.69902903      12.23899996      -0.15152316       0.20414695      -0.48173850
Cl       2.40096006       8.28644005       8.83429004       0.20528651       0.36754245      -0.83466547
Cl       7.53962000       5.13588998      12.73693537      -0.84672771      -0.55197823       1.01396738
Cl       1.17651994       2.37507002       6.03470005      -0.28687327       0.70294867      -0.38411078
Cl       6.40967996       7.50497001       2.14096996      -0.23728248       0.68671138      -0.35351882
Cl       8.78935002       3.80942003      10.57890003       0.14388014      -1.61229639      -0.12593554
Cl       2.12169998      13.05940003       4.55519995       0.89342934      -2.53316003       0.16380907
Cl       6.75820002       1.22459005       5.49763003      -0.19661800      -0.02901745       0.23201561
Cl       8.23143000      11.78559998       3.28296004       0.15883621      -0.57773504       0.48789366
Cl      11.27570001      11.30450001      12.01479999      -0.96162366       0.10481956      -3.38912780
Cl       7.86838001      11.05499995      12.93459993      -0.21890067      -0.50822370      -0.29688410
Cl       7.53445001       4.89344998       8.09129002      -0.15950316       0.16891521      -0.65928287
Cl       1.98636998      11.60400002      10.71960001       0.31298031      -2.10911517       1.29655134
Cl       9.27617004       7.86361996      10.79699994      -0.18750296       0.31377182       0.52171161
Cl      11.40890006       1.77673995       8.74831004      -0.84229192      -1.64424255      -0.58203644
Cl       3.77631006       7.61091006      12.17570003       0.17572767       2.89718266      -1.04569429
Cl       3.85817002       4.87584001      11.11269996       0.62893803      -0.46419613      -0.64264850
Cl       8.69878004       5.99987006       4.15485000       0.24853043      -0.23876575       0.38080630
Cl       6.21750996       7.93485996       5.85898994      -1.28720613       0.32002226       1.56172829
Cl      10.83330001      12.78018126       4.97722996       0.27403281      -0.10666659       0.62470368
Cl       1.04186995       7.40523001       4.00473006      -1.43980071       1.71388593       0.54872808
Cl       0.25786406       6.84712005      12.56869998       0.57859410       1.07830043       0.61187049
Cl      10.53089998       8.78084994       3.38188004       0.37695179      -1.21369555      -0.19292038
Cl      12.12639997       3.50437998      11.54139997       0.55163143      -2.25694389       2.26861029
Cl       0.55589203      10.12270003       1.62053996       0.97732214       1.25291565      -0.58992938
72
Lattice="13.03070965 0.0 0.0 0.0 13.03070965 0.0 0.0 0.0 13.03070965" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.43804208 stress="-0.0012045835802024956 -0.001154936681747391 0.006466197974370043 -0.001154936681747391 0.004611314997413299 0.00258428787828184 0.006466197974370043 0.00258428787828184 0.0029601511833519823" free_energy=-251.43804208 pbc="T T T" config_type=melt 
Li      10.20740000       5.17157006       5.92664000       0.32341405      -1.18363059      -1.03285207
Li       3.06207995      11.38130001       5.51168995      -0.20994415      -0.35025758       0.63958527
Li       7.08676995       4.12830004       9.44594005      -0.21050538       0.07429319      -0.20801138
Li       6.35061994      11.32600003      12.15619996       1.18788172       0.25081498       0.15226270
Li       1.17887006       2.43168001       5.75101001       0.02440527      -0.14486238       0.00934451
Li      12.84507859       8.20008003       1.71807001      -0.00564764       0.24156317       0.27399814
Li      10.14809997       1.78172998       8.42724999       0.12888113      -0.44823579       0.14183031
Li      10.54950004      11.93180006       0.14483295       0.07938311      -0.37780133       0.31762115
Li       3.73094002       1.15997006       9.95613000      -1.90487235       0.10714232      -0.02352625
Li       8.71975998       8.48152003       5.69668003       0.36229127       0.07424429       0.24348494
Li       6.89579995       5.20456994       4.89461001       0.28933056      -0.10258564      -0.65462561
Li      10.69040006       8.14149005      11.82630005      -0.39826472      -0.08813633       0.50488527
Li       0.58951400      11.24139997      11.71790005      -0.25817465       0.29533878      -0.12687121
Li       7.00221002       7.43845994       9.03401000      -0.12874033       0.30191052       0.02393701
Li       0.72045699       4.50412004       8.44969005       0.07788257      -0.61152581      -0.32130129
Li       6.64558999      12.40900003       8.03727004      -0.31774833      -0.49663238       0.19253023
Li      11.74620002      10.79469995       5.23048998      -0.12160494      -0.25499932      -0.09286925
Li       7.39981998      11.31489995       2.08162003      -0.42531675       0.01181307       1.33534519
Li       0.50790501       0.01949029       3.00846001       0.05074632      -0.91164188      -0.32642876
Li       4.19670996       5.78104007       8.07669002      -0.32601117      -0.25975106       0.38646582
Li      10.42709998       5.12599997       0.55899699      -0.81504542       0.63538075       0.14682939
Li       0.56374798       8.70402996       7.99246994      -0.35569250       1.06114872      -0.28305261
Li       3.82749002      10.35880003       9.31833005       0.42900212      -0.12185312       0.47178815
Li      12.86609999       2.47057994      12.66070004       0.25594455       0.09251269       0.26583611
Li      12.58909994       3.97371999       3.43217999      -0.13294500       0.12395618      -0.28550981
Li       5.35832007       4.59785007      12.35830001       0.01882885      -0.01235672      -0.37621312
Li       0.97378207       6.66989005      11.51249997      -0.43056419       0.14433897       0.06786184
Li       1.32579001       6.43092000       5.37563996      -0.24440829      -0.28294035       0.86030897
Li       7.99378995       7.88379995       2.33112998       0.48826380       1.06640229      -1.83176605
Li       4.41554001       1.72698002       3.48301995       0.08390752      -0.09664645       0.04792646
Li      10.74050001       6.08796006       9.29482995       0.93551851      -0.35025367      -0.32969038
Li       2.11470005       5.55069999       1.59960001      -0.87255716      -0.04212432       0.71101930
Li       9.97822995      10.96400001       8.93012997      -0.54633989       0.61721718       0.48795904
Li       8.36987995       2.05726003       3.43081997       0.93520588      -0.28283278       0.12879469
Li       3.10347004       0.19619036       0.48847505      -0.16043255      -0.05719491      -0.16878330
Li       3.06014997       9.43171000      13.01637691      -1.15760209      -0.35097115       0.53918364
Cl       1.56642004       3.46752005       2.41779996       1.23728296       0.80096936      -0.44537681
Cl       5.40793006      12.39560003       1.58435004      -0.38450009       0.45903272      -0.12788098
Cl       5.44070998       5.45836998      10.21029998      -0.27602865       0.40604092       0.06920611
Cl       2.23565996       2.60426003       8.00202002      -0.10016037       0.32650703      -0.10931123
Cl      11.62030004      11.01529996       2.77087004       0.27458744       0.02424107       0.15212537
Cl       7.88066997       7.16376997       4.10809006      -0.73444107      -2.38353265       1.84477366
Cl      12.99740003       4.60992002       6.26719995       0.05178084       0.11088904      -0.88786818
Cl       5.56254999       1.89433994       9.69357006       1.87525476       0.44688027      -0.14200445
Cl       9.57579994       3.83227998       3.70700000       0.29218314       0.65974725       1.28002656
Cl       0.87531004      10.16520004       5.90744003       0.72327724      -0.15302398      -0.04077341
Cl      10.17000004       6.97696003       6.80221000       0.21882715       0.61779288       0.29034800
Cl       6.50801997       2.85325005       3.24538997      -1.72560489       0.28784109       0.12205369
Cl       4.53321006      11.03829994       7.45525001      -0.04598502       0.49243804      -0.92273803
Cl       8.70736999       6.09570994       9.36937004      -1.37825513      -0.53101354       0.82263914
Cl       8.55588994      10.86999999       0.45841502       0.02424548      -0.29120098      -0.91981488
Cl      12.11839996       9.70050005      11.29920003      -0.63213930      -0.82904803       0.17238580
Cl      11.49359997       3.81139005       9.10033996      -0.31363386      -0.25196624       0.08752771
Cl       1.07635004      12.00469998       0.71639102       0.63089335       0.25646273       0.31320769
Cl       9.25992003       7.10500004       0.60220304      -0.40227250       0.33185483       0.10842981
Cl       8.73167005      12.75725864       7.48306002       0.81074731       1.04365935       0.09898041
Cl      12.74869994       1.80031998       3.72514995      -1.04073169      -0.85587125       1.71236527
Cl       8.29231999      10.06550000       4.28085004      -0.18704165       1.40075382      -0.66255414
Cl      11.43429995       3.50435005       1.26350999       0.67213528      -1.10880300      -0.58886816
Cl       2.90297003       0.41176495       4.78854994       0.02848572       0.51225291      -0.53060234
Cl       1.67796005       7.71897997       0.32002407      -0.20640460       0.03434179       0.02547023
Cl      10.51220002      12.57202059      11.10460006       0.10512754       0.61989124      -0.59141072
Cl       6.02188003       5.68890005       6.87220003       0.03625678       0.08482953       0.16883941
Cl       1.90870994      10.40000001      10.20830003      -0.06820959      -0.20366147      -0.49039031
Cl       4.57499003      10.26740003      12.06950000       0.66151925       0.14822008      -0.88143964
Cl       1.98403995       1.91142997      11.66840004       0.21137798      -0.35836217       0.28378991
Cl       3.91293994       5.17346003       0.70199039       0.99613809       0.02343895      -0.28268758
Cl       0.68099896       6.80416995       3.43707002      -0.32795492       0.18297536      -0.87464046
Cl       1.78015000       6.82368005       8.24320998       0.29941357      -0.41478677       0.21242626
Cl      11.65840001       6.05124004      12.08430002       1.44385817       0.34907932      -1.52315184
Cl      11.03260005       9.89475001       7.42265004       0.38596073       0.02924723      -0.14715470
Cl       7.12557006      10.40230006       9.33028000       0.19554083      -0.53896024       0.51677579
72
Lattice="13.0446937 0.0 0.0 0.0 13.0446937 0.0 0.0 0.0 13.0446937" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.50894933 stress="0.0015715611295980285 -0.0011450597556990642 0.0015846500423481902 -0.0011450597556990642 -0.0012580474860465522 0.003104730524351439 0.0015846500423481902 0.003104730524351439 -0.0043035959959003296" free_energy=-250.50894933 pbc="T T T" config_type=melt 
Li       6.74767006       5.40555005       3.48832994      -0.82452537      -0.05953808       0.51619349
Li       8.53020006       8.14926005       6.70384002       0.89599810       1.29846808      -1.95197780
Li      11.29450006      10.08869997       9.91543996       0.66667258      -0.60930839       0.64838234
Li       7.23489002       6.72813994       0.17373301      -0.23443934      -0.33859130       0.04549911
Li       1.94887006      10.41370004       5.90663000       0.30973931      -0.28138162       0.52374730
Li       2.20808000       8.66874997       9.61855003      -0.19365629       0.33048403      -0.68287581
Li       4.48073997       3.79956002       5.56738996       0.11711865       0.29937730       0.45181338
Li       0.89508696       3.14199006      12.21059994       0.09385521       0.65583556      -0.19525031
Li       9.93734996       4.49447995      11.89319997      -0.38531132       0.28891912      -0.23408600
Li       7.96272001       2.25138003       3.16622997      -0.33159765       0.67842798       0.47028291
Li       4.96683000       7.28062002       7.08757995       0.37870403      -0.42566526      -0.33227534
Li       3.95928004      11.55349998       2.27653999      -0.50913017      -0.73731497       1.06057690
Li       6.88486998       9.33862004      10.18429997       0.73349790       1.22137310      -1.99027105
Li      10.71390005       4.48875998       3.04792999       0.20199051       0.74487352      -0.17976864
Li       3.70660001       5.87535000      12.60919999       0.27054340       0.16120864       0.74329431
Li       3.08204995       3.06562994       9.69668005      -0.25515966      -0.14262233       0.28798008
Li      12.46990001       7.15427995       5.15516003      -0.16431891      -0.13240463      -0.63637876
Li       0.79827799      10.45890003      12.41750000      -0.30226242       0.10010477      -0.04376679
Li      11.26289994       1.70521006       1.13360997      -0.74237699       0.09085677       0.05980193
Li       9.13543002      11.18709997      12.53000005      -0.61262030      -1.69668673       0.73863328
Li       4.88298002      12.50169998      11.55800000       0.19511772       0.16739774       0.30619770
Li       0.48447901       1.85873006       4.65219995       0.08258026       0.42569416      -0.16698680
Li       6.36118996       5.33711002       9.67973004      -0.88690874       0.59902713      -0.97622523
Li       0.93058001       5.67337001       7.98599996       0.26307452      -0.34083596      -0.00094478
Li       8.81999993       1.02654004      10.79640004       0.09809642      -0.62750400       0.70485883
Li       9.51666002       8.37180996       3.09522001       0.09365966       0.14066667      -0.17718796
Li      12.91569994       6.72899006      12.28499996       0.25612180      -0.31616319      -0.19003288
Li       0.67067101      10.25909993       2.99420999      -0.61807411      -0.17631475      -0.00908655
Li       9.72185996      10.70700006       5.53901997       0.42813941      -0.30209233       0.03118511
Li       5.33882997       2.66303000      12.12639996       0.96638461       0.25278258      -0.23670256
Li       1.13589997      12.59350005       8.45092994      -0.18081512       1.63749139      -1.60577608
Li       0.93377400       5.35063998       2.78433000       0.08808119       0.08742325      -0.16706419
Li       8.37401999      11.95889997       8.57666004      -0.02211397      -0.46313861      -0.34239116
Li       8.41829003      11.92899996       2.22377003       0.21896312       0.20836635       0.17173596
Li       4.50757995      12.72669994       5.58330005      -1.19078860       1.29914863       1.35190586
Li       4.22029001       1.58094996       2.33737000       0.73309266       0.04343105      -0.28285808
Cl       5.46126994      11.71009996       4.26682995       0.74141111      -1.19012487      -1.86717328
Cl       4.82956995      12.72390003       0.89070995       0.81539349       1.13848912      -1.33006775
Cl       8.64682002       1.53562995       1.29740006      -0.30630261       0.02332794       0.40841433
Cl       6.42427006       5.78146995       5.78010000      -0.79477252      -0.03372103      -0.45434025
Cl       5.81885004       5.31541005       1.37732998      -0.92020028       0.16841948      -0.43524852
Cl      10.23280001      12.82849995      12.64029998       1.74781736       1.25490140      -0.49557322
Cl       1.17827996      11.01400001       9.44035000      -0.36184430      -2.92903497       1.40587826
Cl       5.90317994       2.64136994       4.30503995       0.28239333      -0.46450357      -0.65489936
Cl       4.11673001       5.25000995      10.64910001       0.40804233       0.33200040      -1.15782510
Cl       6.59056995       0.84505900      10.54619995      -0.69889391       0.78387668       0.14285588
Cl       2.57910005       1.52050998       3.61069999      -1.00316144       0.04059908       0.57009229
Cl      12.62989996       5.15526999      10.24649993       0.43117119       0.39708517      -0.53859921
Cl      10.48680002      10.41860001       3.50397000       0.79015953       1.63344132      -0.58383681
Cl       2.32780002       9.20654004      11.64200000       1.34469266      -0.83458679       0.88138083
Cl       7.92566995      10.69060001       6.70927001      -0.68093779       0.13316946       0.20188786
Cl       8.18903006       9.87519003       1.56793005      -0.43661532      -0.38344343      -0.84913112
Cl       0.74859805       5.04103005       5.07445994       0.10624044      -0.06483135       0.62652784
Cl       3.25614000       2.75389999      12.24469994      -0.76778014      -0.97840874       0.23245863
Cl      12.11799996       8.78984999      11.60720002      -0.43474544       0.20010212       0.20454041
Cl       2.53178994      12.33460006       6.68592000       0.36536762       0.15355901      -0.59812104
Cl       8.13164006      11.23009997      10.69240005      -0.84621277      -0.57511861      -0.48157291
Cl       2.69914997       7.64837994       6.87730001       0.11749886       0.02577556       1.12174240
Cl      12.09510000       6.52921005       2.69147004      -0.50142077       0.19776045      -0.17615246
Cl       0.67762996       9.09325000       4.83999997      -0.28972619       0.01435494      -0.35264289
Cl      11.71720005       3.89890006       0.01326345      -0.13992228      -0.94877640       0.58507078
Cl       6.66207000       8.11622005      11.59530000      -0.65376070      -1.27160746       1.91079779
Cl       1.66896994       5.40963996       0.34346496      -0.44549660       0.20438924       0.47346417
Cl      11.27710000       2.58594995       3.91047997       0.44852619      -0.86473703      -0.17449987
Cl       7.48352006       4.97800004      11.31649994       1.78518117      -1.07076541       1.24426076
Cl      10.09439998       8.17378003       5.30734999       0.65688984      -1.02392636       0.44486102
Cl       1.63463996      11.44050006       1.47900998      -0.01920398      -0.02258160      -0.12254439
Cl       8.64630997       5.19420997       2.65112998       1.17940801       0.00210819      -0.24755032
Cl       3.77745005       3.65030003       7.75469002       0.27832214       0.27959740      -0.86772599
Cl       1.41999996       1.45747997       9.06906997      -0.00120497       1.51063636       0.84764223
Cl      10.53139996      11.48000004       8.65323996       0.33079488       1.04951551      -0.99695966
Cl       7.57398005       7.44977005       8.12779005      -2.16444025      -0.96873687       3.37240696
72
Lattice="13.01734135 0.0 0.0 0.0 13.01734135 0.0 0.0 0.0 13.01734135" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.4688842 stress="0.002471891512199502 0.0029272330460409627 0.0006438319075489533 0.0029272330460409627 -0.005219731171600929 -0.003525332323960472 0.0006438319075489533 -0.003525332323960472 -0.00029008009102513054" free_energy=-250.4688842 pbc="T T T" config_type=melt 
Li       3.25574004       9.30117001       9.82354003       0.38505562      -0.52748067      -0.26335126
Li       5.07813997       8.76050996       5.17061998       0.49058909      -0.02031078      -0.18650695
Li       7.58600003       5.69340995       1.41382998       0.48482370       0.40113722      -0.10186867
Li       9.19460003       1.66274003      12.23080000       0.23468594      -0.35175156      -0.81145911
Li       0.75196599       1.21274004       4.21468006      -0.14112533       0.26460401       0.60682931
Li       4.95749004       2.56177997       0.51074099       0.13971154       1.77054772       1.90986692
Li       2.85107997      12.85250002      12.15029998       0.52226175       0.07758140      -0.66256009
Li       3.97276006       1.54263006       5.64670997      -0.36706002       0.07986563       0.38322325
Li       9.83118004      11.59920003      10.25420003       0.89473659      -0.21511877       0.16744198
Li      11.41730000       0.53732799       7.57267002       0.42108351      -2.81644785      -1.31363943
Li       4.27420003      11.42210001       7.31300998       0.40806060      -0.48653240       0.13568393
Li      11.77989999       7.45942006       8.49595997       0.25787497       0.26148963      -0.14036188
Li      12.10419998       5.00844005      11.78009994       0.47108962       0.24024844       0.16157940
Li       6.65885994       3.72966994       5.92965998      -0.27435826       1.31590970      -0.40475581
Li       8.24989993       0.56178094       7.33166006      -0.28535619      -0.13157019       0.26412836
Li       7.76243005       9.99140998       7.35401995      -0.00952946      -0.29699686      -0.12147090
Li      11.62890001       9.12297002       0.93909496      -0.40049768       0.23628461      -0.21341337
Li       5.64481999       1.42490995       9.97160006       0.19310967       0.18007694      -0.22510330
Li       1.90930995       1.51754994       8.12944995       0.22162298       0.57535901       0.03829064
Li       3.95927006       4.19032006       3.82277998      -0.45768769       1.21315290       0.71728352
Li       2.55535006       6.71777994       1.23690999      -0.47192036       0.30748046       0.53653161
Li       8.71160004       4.67198994      10.11749998      -0.31712839       0.29136688      -0.54337289
Li       2.94030994       5.54050995       9.94149003      -0.46734315      -0.60122281      -0.09385108
Li       6.87695001      11.46270006      12.97970002       0.45864096      -0.29937038      -0.96456764
Li       6.05923994      12.59960003       4.23663003       0.62821609       0.69732653       0.74546295
Li       6.93516994       6.73081004       7.83506005      -1.07482104       0.80398291      -0.32051161
Li       0.41668796       5.39472002       4.60570004      -1.27574127       0.31302868       1.47356287
Li       1.01035995       3.05204000       0.89359805      -0.15997195       1.37329563       0.37936538
Li      10.85969997       4.15089001       7.71254005       0.00841668       1.48275056      -0.55995067
Li       6.20259002       6.37540005      11.19580004      -0.79129242       0.11666957       0.71665503
Li      11.67569995       0.43299700       0.88947298       0.43925581      -2.04271071       0.25033837
Li       9.63214997       6.63663999       3.70969001       0.16113773      -0.37228912       0.08323628
Li       8.36651995       8.69705003      10.97980004      -0.10422726      -0.06212712      -0.05141388
Li       8.39910001       2.84018003       2.52885001       0.85968403       0.33563018       1.51125328
Li       2.06009997      10.43649995       3.42275995       0.45748320      -0.69304168      -0.14250652
Li       3.05290005       6.47921998       6.73464001      -0.11738452       1.51821421      -0.06558593
Cl      10.01100003       6.89360999       1.37956000      -0.15510393       0.04378319       0.17034745
Cl       1.75638001       5.34881996      12.64359994      -0.64986834      -0.59275823      -0.30091897
Cl       3.54887000       2.27958002       9.57945004      -0.40158410       0.35858562      -0.51912408
Cl      11.38280001       5.72745003       9.73664004      -0.62970335      -0.77206595       0.32241491
Cl       1.08181995       2.65912001       6.22712003      -0.07234977      -0.24076063      -0.50205306
Cl       6.31999004       1.76285002       5.69467003       0.44403435      -1.42811101       0.00455483
Cl      11.21780000       2.25568995       8.24154996      -0.01711428       1.55124767       1.41894456
Cl       6.86114995       9.12727004      12.32530004      -0.87270448       0.31571780       1.11143823
Cl       7.94048997      12.13170002      10.72640005      -1.74165035       0.77119250       0.61558782
Cl      11.35110005       6.03683995       5.55817005      -0.12590413      -0.04560336       0.11205422
Cl      11.00009994       2.29916995       0.92912706       0.34189031       1.97099294      -0.50398220
Cl       7.56839994       7.03936998       9.70580000       1.40871290       0.10048746       1.33615080
Cl       7.26064005       7.76957006       6.13813999       0.57797469       1.57297794      -1.38069973
Cl       2.65372002      12.79839995       7.02876996       0.00137784       0.01244983      -0.70890623
Cl       4.42571993      11.49369995       3.74874997      -1.01613174      -0.58724444      -0.39507538
Cl       6.71778997      11.81580000       6.60188994      -0.14470308      -0.17290808       0.00033396
Cl       7.82964001       4.68353997       3.35799998      -0.08875428       0.65800806       0.92834124
Cl       9.88633998      11.95239994       7.97732006       0.16163579       0.09114640      -0.56166950
Cl       1.59758003       6.40076004       8.27451000      -1.00563023       0.20198899       0.41396328
Cl       4.21929002       7.17336997      10.34290006       0.25184421       0.49292745       0.32075080
Cl       0.71844503       8.79470001       1.62896003       0.32721292       0.16751850       0.14938549
Cl       5.15833994       1.35494994      12.08439995       0.00628813      -2.30612684      -0.83013493
Cl      11.96789995      12.98210757       3.81597999       0.43001656       0.10225733      -0.19253487
Cl       7.18734005       4.81856000       7.61197002       0.84258427      -1.98278280       0.21661305
Cl       6.12765999       4.86435995       0.06222758      -0.41413808       0.10105510      -0.44644745
Cl       7.98026003       2.02580995       0.85127906      -1.80944282      -1.12203825      -1.05572754
Cl      10.21459997       9.47069003      10.52940003       1.37598681      -0.86625818      -0.98663836
Cl       4.28386997       9.07751998       7.12968000      -0.48237850       0.32378170       1.07078703
Cl       3.42119006       8.05985000       3.98445003      -0.52372642      -0.15902135      -0.59001807
Cl      10.45009995      11.38349995      12.98329996       0.60510965       0.60733518       0.74894138
Cl       1.74200002       4.88381996       3.25240005       1.11390322      -0.54908636      -1.83674824
Cl       4.13536996       2.18342001       3.47251001      -0.16912890      -1.00103463      -1.08343138
Cl       1.47084997       1.19474994       0.22331197      -0.01210345      -1.02251407      -0.08100822
Cl       3.43185998      11.40969995      10.26540002      -0.10385446       0.30212850       0.36970763
Cl       8.21126004       2.55090997       9.72025003      -0.01319368      -0.34173353       0.67172378
Cl       4.01151998       4.84904999       6.14552994       1.13850165      -1.49456636      -0.90140431
72
Lattice="12.97771963 0.0 0.0 0.0 12.97771963 0.0 0.0 0.0 12.97771963" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.0315677 stress="-0.0014816857824417958 -0.0032898853731669685 -0.0010428418554539428 -0.0032898853731669685 -0.0020601010882008246 -0.0004278176395170128 -0.0010428418554539428 -0.0004278176395170128 -0.004134122963729618" free_energy=-249.0315677 pbc="T T T" config_type=melt 
Li       3.72093998      12.85550001      11.94850003      -0.09790370       0.13649729       0.83027150
Li       0.71303199       2.62330002       6.71115998      -0.90707088      -2.56871834      -2.50610465
Li      12.41750002       5.14742003      10.41269995      -1.49601469      -2.30508258      -0.46133362
Li       0.66463600       5.69000006       4.26125994       1.00025387       1.75004377       0.58107459
Li      11.22949997       1.28108002      10.94389995       0.16965947       0.06937774      -0.26775310
Li       7.58272001       0.74907502       9.75401994      -1.23480439      -1.30178442      -0.31446189
Li       3.92969996       9.52591005       5.03126996      -0.02064983      -0.27902123       0.18858981
Li      12.59039998       7.48878000       8.05450995       0.07994872      -0.07557421      -0.30286158
Li       6.65023996       1.18103997       1.26791996       0.62378160      -0.63391089       0.11175783
Li       3.27758006       5.23553005       6.89303000      -2.29330694       0.44837711      -1.07635155
Li       2.35387997       6.53362996      11.63750001       0.09296498      -0.09543846      -0.27094050
Li      12.43090004       9.16082006      11.08160004       0.18819022      -0.03715033      -0.20068946
Li       0.58938106      11.32939999       0.69153998      -0.20729433       1.34198555      -0.42563249
Li       2.80348995      11.30929997       8.67176001      -0.49827989      -0.52866824       0.02292694
Li       8.45184996       3.81148994      12.11170005       0.28786232      -0.00512004      -0.72586565
Li       5.06526004       3.00339005       8.90072995       0.19483009       0.21185886      -0.26645011
Li       5.27907004       7.30000000       3.17319001      -0.00660823       0.50969287       0.12853908
Li      11.93020002       9.92826997       3.58687001       0.13411668       0.02480864      -0.08166663
Li       7.12973997       9.28095001       8.56912001       0.39852268       0.45646649      -0.08733963
Li      11.57090004       4.42788996       6.41490005       0.84558425       0.28521237       0.35900703
Li       9.27191998       3.59147996       8.50809994      -1.13895419      -1.19238617       0.10453582
Li       9.69950002      10.57800002      12.93620001      -0.26634184       0.71057403      -0.52831842
Li       5.57302006       5.93565999       9.36031006      -0.06794181       1.13631534       0.99831499
Li       9.70842000       6.45682003      10.60950006      -0.35412648       0.55583578      -0.51254727
Li       6.73663005       0.24312603       6.10265002      -0.84444257      -0.25807338       2.30198877
Li       9.75911006       0.79749502       4.19113003      -0.24950599      -0.46953559      -0.40219227
Li       8.37328998       4.58653999       3.44307999       0.89340143      -1.13627012      -0.46047092
Li       3.77492002      12.94169997       3.28094999       0.79139794       1.26494194      -7.63585375
Li       9.45694995       7.39308996       6.16289999       0.46342471      -0.18952039      -0.70800727
Li       6.61638006      10.39390004       3.24456994      -0.32315635      -0.00467497      -0.12194078
Li       3.55283996       3.15419998      11.51200001      -0.28526725      -1.41452814       1.01066863
Li      12.79009996       2.29613002       1.56807995      -0.14363833       0.41641831       0.70574337
Li      10.37529998      10.45689999       7.10998996      -0.22689159      -0.19657823      -0.07471534
Li       2.08287001       8.55408000       1.98071005       1.07793645      -0.07010841       0.32361581
Li       7.36819999       4.05754997       6.18098003      -1.06486951       0.07078376       0.09158584
Li       4.90347005       8.37062994      12.67250002       0.60973155       0.61654188      -0.21135158
Cl       6.36865005       8.83340997       1.38835995       0.37496231      -0.28086986       0.08285308
Cl      11.32320002      12.55990000      12.20040004       0.12757277      -1.23611777       0.53053927
Cl       7.41605001       4.97714002       9.95786994       0.57794898      -0.48965535       0.61872984
Cl       2.81986005       7.22839997       4.55087994       0.00996020      -0.39106383      -0.06012905
Cl       3.82207003       4.95778998      10.70130004       0.01213548       1.03394759      -0.57489194
Cl       0.80854503       9.33910005       8.64496998       0.13077956       0.71298849       0.14788128
Cl       4.44808005       1.48125005       1.14041997      -0.09475065      -0.26281730       0.03242180
Cl      11.43059999       8.90631997       5.50131998      -1.54621786       2.14793356       0.10635883
Cl       3.48467994       6.98188001       0.46379502      -0.61775201      -0.09348116       0.68230649
Cl       0.35931905       6.80563998      10.62629998       1.07570975       2.00152571       0.32998772
Cl       1.59993000       3.94504002       7.55526006       2.17596589       3.27410188       1.87801641
Cl      11.36290003      12.00470005       3.99537994      -0.26794613       0.74263186      -0.13524839
Cl       9.27804001       1.75230997       9.95514994       1.22392353       1.29011681       0.47634314
Cl       6.87659995       5.76200006       4.14865006      -0.59300059       0.20989472       0.43211501
Cl       7.30522002       0.00558289       4.32072995       0.92884352      -0.73307860      -2.43414662
Cl       9.47415996       4.38032999       6.16989005      -0.99249272      -0.29106245      -1.21483164
Cl       4.75285998       1.45397997      10.56499998      -0.11098296      -0.29075752      -0.12598570
Cl       5.37782997       8.54695004       9.68706996      -0.36249195      -0.26941437       0.31225481
Cl      10.50749999       4.75135002      11.67289999       0.06202972      -0.63767666       1.88514420
Cl       6.70242999       1.72953005       7.67883001      -0.18689725       1.12126724      -0.01516853
Cl       8.12619005      11.74869999       8.50559005      -0.06856946      -0.64274296      -0.38126821
Cl      12.42890004       6.53240006       5.86882006       0.52591285      -2.26288989       0.92565665
Cl       0.91084398       1.49104006       0.00018039       0.54975459       0.21707564      -0.50299269
Cl       5.07783999       5.11694004       7.53941998       2.16359590      -0.86670747      -0.57898039
Cl       3.76011997      10.05719998       2.99507003      -0.56652276       0.28289360      -1.20606369
Cl      10.62570002       5.00727000       8.77791997       2.37190105       1.72403227      -0.08191891
Cl       0.20718034       9.39169006       1.33461000      -1.15982097      -0.80865878       0.58113327
Cl       2.33472005      11.04060005      12.40300002       0.78442619       0.12371173      -0.83571285
Cl       6.16301004       9.14059000       5.10557999       0.28337836      -0.09104767       0.37397662
Cl       7.87418999      12.32860005       0.01558040      -0.31665111       0.09387198       0.19056338
Cl      10.23909998       8.75453996      11.44259997       0.00942407      -0.03188044       0.17654262
Cl       8.73574004       2.16239994       2.45274995       0.08767686       1.11460950      -0.15509253
Cl       3.62392997      12.63380007       4.91714999      -0.69461592      -1.09327455       8.11117053
Cl      12.40869996       1.51508998       7.72961001      -1.25656395      -0.76769961       0.58576428
Cl       0.10378036       3.92908002       3.63844996      -0.71555428      -2.18290910      -0.82897928
Cl       9.08457998       8.12438005       8.07752996      -0.04960918       0.38961516       0.55587965
72
Lattice="12.95192003 0.0 0.0 0.0 12.95192003 0.0 0.0 0.0 12.95192003" Properties=species:S:1:pos:R:3:forces:R:3 energy=-248.2309431 stress="-0.00250784888996428 -0.0019372691061052838 0.0035334594741329036 -0.0019372691061052838 -0.0024924735376590512 -0.0018022669489198928 0.0035334594741329036 -0.0018022669489198928 -0.0024667248096696234" free_energy=-248.2309431 pbc="T T T" config_type=melt 
Li       9.65863999       8.15533006      12.29469997       0.84837794      -0.04621388      -0.43682790
Li      11.98730001      11.97849996      10.60159999       0.26416658       1.39679477       0.30168558
Li       7.32933003      10.42239995       4.89081998       0.12973879      -0.10053994      -0.09813504
Li       0.47878702       5.26161001      10.87700003      -0.77357903      -0.53462034      -0.64056080
Li      11.46189994      10.01539998       7.58190996       0.65738548       0.36422228      -0.17633568
Li       8.97158000       5.55112998       9.43762000       0.77632677      -0.35278491      -0.01609162
Li      11.70300006       1.61376999       3.50186994       0.81537576       0.08539769      -0.56621875
Li       3.31694994       4.75085998       7.51910999       0.74510813       0.29867306      -2.75394786
Li       0.72229400       2.26842997       8.64708998       0.24683128      -0.04267042      -0.47154566
Li       7.28927000       8.91594995       1.48630004      -0.32141986       0.22612924       0.06083069
Li      10.31280002       2.82513004       7.21571994      -0.08338547      -0.08513899      -0.39991030
Li       3.84572995       6.25456002      10.95419995      -0.35199613      -0.31590382      -0.20558290
Li      10.71549995       3.69303005       0.12868005       0.27838300      -0.31921356       0.15877072
Li       7.39442004       0.82709200      10.09610002       0.50219030      -0.87266592      -1.55149744
Li       0.65751497       0.92632896      12.88390004      -0.01315738       0.13831536      -0.10164121
Li       2.92876004      11.74539998      10.23650000       0.75761604       0.87041550      -0.85077579
Li       4.74195994       9.60767004      10.82280001       0.22145852      -0.02326637       0.09061904
Li       4.50430995       0.87098696       7.75564999       0.39275407      -0.01425488      -0.14015240
Li       8.66353996      12.55449995       7.87898996       2.12557349      -0.66965023       0.31002848
Li      12.73299994       6.11384998       6.74423003       0.37577252      -0.35488666      -0.34082978
Li       8.97062001       6.67741003       5.37100996       0.46469765       0.60995583      -0.13055609
Li      10.29709996      11.07380006       4.31229994       0.53386595       0.39152703      -0.28887232
Li       4.16887996      11.42359994       1.75048994      -1.66688758       1.03982110       0.12728051
Li       0.65616603       9.13665999      12.09779996       0.70770141      -0.59408035      -0.49412066
Li       5.88535997       5.50578997       0.12669503       0.18667272      -0.03660913       0.37662903
Li       7.90357996      11.82980000       0.17288003      -0.40603130      -0.00439267      -0.03195163
Li       4.92981006       1.90169998      12.18540002      -0.93690636      -0.14323246       0.05738328
Li       4.60768000       8.63597995       6.90633004       0.13190374      -1.08777660      -1.83265528
Li       6.55265999       3.46555003       5.98045996      -0.29852588      -0.33876395       0.56798912
Li       0.87471802      12.31650000       5.38691997       0.71536563       0.65324630       1.66735335
Li       3.77372996       7.17602994       3.02517996       0.34832019      -0.13382603       0.50017294
Li       9.41234006       3.87532003       3.92307000      -0.54326867      -0.65684504       0.37828606
Li      12.53809997       7.37191996       2.94656997       0.38213290      -0.08626641      -0.83047560
Li       4.06036994       3.04459994       3.13539005      -1.40593604      -0.70528048       1.44877908
Li       8.80167995       9.57057004       9.27454005      -0.42312606       4.92951412       0.18255408
Li       6.27971006       3.85984003       9.34880001       0.55544637      -0.56868112      -1.45287933
Cl       0.88406205      10.56670001       6.57858002      -0.28284370      -1.02487930       0.89866913
Cl       1.46427997      10.86070004      11.27759994      -0.20399916       0.03194818       0.59237024
Cl      11.87089994       8.60599004      12.90991074      -1.38911332      -0.51932210       1.17876353
Cl       9.03622006       7.80442006       9.28877006       0.34885535      -4.57263943       0.03540785
Cl       4.61841999       2.75502998       6.47813995      -0.97195887      -1.25442961      -0.84254580
Cl       7.89053997       7.22931000       0.06145453      -0.28258208      -0.36231208       0.27063555
Cl       6.98006998       1.70092994      11.83489995       0.76579419       0.44731726       1.57242637
Cl       2.12055000       4.32403995       8.88952001      -2.64112801      -0.80526721       2.74765101
Cl       6.43901000      10.55750000      11.64270006       1.53518616      -0.25744978      -3.23900390
Cl       4.70940995       7.34727997       1.05517997      -0.27515957       0.00236722      -0.06332032
Cl      11.00090004       7.39577002       4.24320999      -1.08208935       0.25428645       1.18796530
Cl       9.42017999      12.27499997       9.93097004      -1.02718851       0.63441535       0.29573488
Cl       0.78952495       1.35124999       6.35669006       0.07876858       0.61098415       0.60798869
Cl       5.88055002      10.81660005       1.10190998       0.31530669      -0.15814051       2.97368827
Cl      12.89210003      11.91459998       3.75035006      -1.55909547      -0.31889735      -2.44327289
Cl       9.36355005      10.50640001       6.43886999      -0.07744111      -0.11100089      -0.11592447
Cl       5.96770997       8.45827003       4.79251996      -0.05236343       0.29649518       0.16309385
Cl      10.15280003       1.38741006       4.83762995      -1.29422846      -0.14247292       1.20517893
Cl       4.56181997       9.47350006       8.66482997      -0.29286037       0.70971078       1.55574772
Cl       5.32288995       4.54943004      10.98480003      -0.61695989       0.63420973       1.75821491
Cl       1.81041006       6.45960006      11.93590006       0.58074721       0.78003134       0.36473314
Cl      11.62509996       1.70484997       1.12841997       0.24253662      -0.15930750      -0.67404489
Cl      12.84052303       1.15908999      10.46820001       0.18954845       0.08736221       0.31587537
Cl       8.71419997      10.86890003       2.50669997       0.19401451      -0.30305506       0.38946153
Cl      10.89829998       5.10291001      11.33639998       0.10001430      -0.03356011       0.11060084
Cl      11.46220003      10.23559997       9.82034005       0.03615679      -2.43829213      -0.94040851
Cl       8.42370006       2.71293002       8.56973995      -0.33134269       0.71522112       0.44292490
Cl      11.35389996       4.05401003       3.38427000       1.10053029       0.69597622      -0.56794985
Cl       4.45327006       0.38874204       9.95490998      -0.13874784       0.17485874      -0.17684462
Cl       8.13325001       4.73935000       5.56963996       0.51194357       0.26423603      -0.37929910
Cl       2.24920000       6.04176995       5.63562002      -0.26789456       0.32654909      -0.31396390
Cl       5.39999001       3.65191003       1.90930004       1.37442563       0.80880400      -1.33842925
Cl      11.15500005       4.86528994       7.84823006       0.17320865       0.29321101      -0.20488080
Cl       3.09333996       0.68818706       0.26698803      -0.09170301      -0.06827294       0.48430060
Cl       5.26146003       5.25423001       7.75180004       1.99315457       1.57818913       0.63353998
Cl       6.94167000       0.16767996       7.29115995      -2.60043763       0.26667757      -0.90188221
72
Lattice="12.93037411 0.0 0.0 0.0 12.93037411 0.0 0.0 0.0 12.93037411" Properties=species:S:1:pos:R:3:forces:R:3 energy=-247.63976147 stress="-0.009584377072193513 0.003578820484308992 0.002163627239966277 0.003578820484308992 -0.003588446102233874 -0.002256067772475138 0.002163627239966277 -0.002256067772475138 -0.0015092451659871333" free_energy=-247.63976147 pbc="T T T" config_type=melt 
Li       9.37215006      12.56150002       2.63253004       0.14016403       0.05093067      -0.82375978
Li      10.59360000       9.47551999       7.95960004      -1.19753307       0.14235492      -0.05539121
Li       3.21735004       5.89229002       5.77186001       0.82410056       1.19276368      -1.25087103
Li       2.60680001       2.41005002       6.79026998      -0.38944210       0.18841277      -0.37597132
Li       3.04426004       1.01814994      11.85680006      -2.97202928       2.62116118      -0.45523116
Li       5.20310005       4.63545003      11.18189996       0.05828399       0.67261215       0.42280683
Li       2.76186998      12.73489996       4.64017996      -0.55389203      -0.37690171      -0.52662466
Li       5.92952006       1.99494997       4.27952002       0.25981063       0.06552427      -0.51897496
Li       9.90877998      11.22380006      11.52739994       0.56467812      -0.39254630      -0.54199572
Li       2.39268996       9.35280001      12.35889993       0.28029629      -0.51285870       0.32116983
Li       9.81774006       3.49928999       4.45119000      -0.38289205       0.18970366       0.27658960
Li       0.09299629       9.29471005       4.98433001       0.92377800       0.47983842       2.16084407
Li       8.78179999       5.38173006       0.99754203      -0.32908813       0.60403534      -0.59279538
Li       8.25660000      10.00009997       4.95948999       0.28207060       0.26472649       0.25551165
Li       9.04944994       3.50676000      10.27350006      -0.18593421       0.03186086      -0.17016172
Li       5.45216000      11.43269995       1.07387998       0.43470135       1.81829192       0.04914814
Li       0.45904406       6.25744999       7.72352994      -0.44970161       1.42635958      -0.03348063
Li      12.56900002       0.31418404       4.98300995      -2.11766085       0.07454092       0.99587168
Li       0.16594506      12.42930000       0.79654298      -0.49860528       0.48912399       0.71325274
Li       9.24837004       6.53021003       4.38534000      -1.19331187      -0.29267415      -1.39146444
Li       3.27801004       8.84326000       3.13520001       0.28142941      -0.17278684       0.50014965
Li       4.95480997      12.80379997       9.26912006      -0.16433629      -0.33680088       0.59289054
Li       3.81739000       6.01795994       1.23388004       0.08330974      -0.07412196      -0.02645720
Li       0.47961098      11.59839998       9.32771004      -1.82873286      -0.71586712      -0.70910269
Li      10.71160001       9.43573996       1.45092995       0.16566770      -1.30514277       0.75262929
Li       7.27833005       1.17473005      12.45230003      -0.22895619       0.19934432       0.17855198
Li       4.79897995       9.67615996       6.65100002      -0.02974184       0.18505095      -0.29288848
Li       9.42090002       0.29159494       7.80496997       1.41594560      -1.54344398      -1.57413849
Li      10.83930000       2.96994996       0.62098303      -1.44574920       0.44547163       0.67089903
Li       7.33426995       2.98484006       7.67195004       0.12916740       0.04996822       0.54804909
Li       0.39762504       5.51602001      11.02599999       0.38986755      -0.12612982      -0.42540274
Li       6.49187005       8.03209005       1.57096998       0.12218201       2.41493431       2.70559352
Li      10.37550002       5.88444995       7.45810001      -0.64287316      -0.86811407       1.06875657
Li       0.43020997       6.61217994       1.35099005      -1.41703621      -0.43752440      -0.07977023
Li       9.88167998       7.29545000      10.94550001       0.17471331      -1.45635125       0.43893949
Li       6.78173994       9.32910006       9.96988996       0.49404521      -0.14724551      -0.03191193
Cl       6.41873999       6.76746998       0.23908895      -0.13628631      -2.82762128      -2.58977342
Cl      10.53709996       7.05568000       5.79739000       1.36327243       0.96105121       0.72386359
Cl      12.54339995       2.27456996       0.02432591       1.83876559      -0.77262764      -0.52493397
Cl       8.95941006       3.56066001      12.55169996      -0.18607189      -0.14828954      -0.26544085
Cl       2.05305002      12.47780003      10.10140001       1.18411765       0.88606909       0.41382243
Cl       5.82101004       2.92882995      10.21460001       0.41318639      -0.94654840      -0.88184319
Cl      11.19350006      12.15869999       9.93911994      -0.00885867       0.01823539      -0.31461138
Cl       1.13059997       1.59304006       5.33122997       1.75773483       1.81712183       2.37615458
Cl       1.52042994       7.48197000      11.31350001      -0.45653008      -0.00472315      -0.20226193
Cl       8.01671997       3.63187999       5.68555998      -1.12749381      -0.20148070       0.63796522
Cl       8.53616995       1.39567006       9.09242999      -1.17237372       1.62807645       1.23298064
Cl      12.31299995       8.84882006       3.27200996      -1.31661097      -0.29078637      -1.76750025
Cl       8.98400001       9.05432004      10.59460004      -0.34905228       1.30016999      -0.08207265
Cl       4.54179003       9.65673996       0.81910299      -0.41048851      -1.20848791      -0.31782600
Cl       9.43054001      12.23580006       4.71652994      -0.36898301      -0.66407866       0.43941488
Cl       9.08424002       4.65787000       2.94403995      -0.00412703       0.55658797      -0.53761533
Cl      11.01220005      11.37320006       0.81348501       1.71983407       0.19912166       0.27327895
Cl       6.20496004       1.37895005       1.59898998       0.10175159      -0.21130854       0.67494399
Cl       8.06513000       8.33810002       3.42406004      -0.20947178       0.17483277      -0.35593835
Cl       8.54410002       5.58866001       9.29415999       0.42695096       0.01162481       0.03895294
Cl       3.14652004       8.51395996       5.75719994      -0.99559231      -1.42379257       0.97548617
Cl       0.61359306      12.84720000       3.33414002       0.71222357      -2.19770931      -3.69725075
Cl       8.66987998      12.33659995      12.75010000      -2.44693189       1.13046924       0.22884816
Cl      12.06360006       5.04914998       8.73996997      -0.58557578      -0.21383821       1.24139984
Cl       1.84886997       7.96056995       1.67195000       1.29563484       0.56117682      -0.42863640
Cl       1.94729003       5.10825006       7.12334995       0.94300716      -1.81088593       0.23380714
Cl       4.15660000       1.22799000       5.46327003       1.49082610       0.58010598       0.68222155
Cl       3.25478994       4.39625000      12.04200000      -0.64206706       0.21513294       0.65677243
Cl       4.09122998      10.64860000       4.19594997       0.63492241       1.68113979      -0.53339034
Cl       4.05816003       6.12811005       3.60258002       0.14984734      -0.23063939      -0.46380698
Cl      10.49860003       7.09594997       0.76855894       0.34725394      -0.09211648      -0.78681843
Cl      12.65679998       9.89047005       7.88815999       0.71496964      -0.35454655      -0.64945248
Cl       5.62480002      10.57850004       8.64527994      -1.19146794       0.80907312       0.27932616
Cl       8.12777999       9.79528000       7.24572999       1.07237182      -0.21230895      -0.41326111
Cl       4.44276004      12.79789997      11.94050005       3.82461931      -2.56468937       0.44064456
Cl      11.08030006       2.13874000       5.05166998       0.61999811      -1.00201088       0.48729063
72
Lattice="12.90023956 0.0 0.0 0.0 12.90023956 0.0 0.0 0.0 12.90023956" Properties=species:S:1:pos:R:3:forces:R:3 energy=-248.65821735 stress="-0.005222558300608552 -0.0021716778817198433 8.660347941584445e-05 -0.0021716778817198433 -0.00862035288787557 -0.005204907156762827 8.660347941584445e-05 -0.005204907156762827 -0.001068357225900172" free_energy=-248.65821735 pbc="T T T" config_type=melt 
Li      10.59680000      11.65369999      12.54600001       0.23635920      -0.67664541      -0.30385259
Li       5.78412002       0.39245302       2.82955003       0.83471951      -0.08074941       1.11313225
Li       0.35986044      10.33319999       3.58191006      -1.78724542       0.54251173      -0.82327835
Li       1.37492998       0.71587596       6.80138002      -0.28351990      -1.06051623      -0.39632855
Li       4.17470006      11.71250006       0.11436049      -0.35270312      -0.82482431      -2.52425736
Li       7.24533002       7.09035996       6.92440005      -0.45634780      -0.04128479      -0.34402789
Li       8.90438997       7.04670000      11.17150000       0.17817169       0.90319260      -0.09669511
Li       8.91147001       9.53231997       7.58044999       1.36529931      -0.80743537      -0.12166726
Li       8.79705998       4.71042998       0.69753595       0.26202185      -0.01325306      -0.48775829
Li       3.12541005       7.60448998       4.74340996      -0.11023989      -0.09773182       0.53549166
Li       9.99045998      12.72160001       6.40305003      -0.82800330       0.98015289       0.31944287
Li       4.18648004       1.35587994       9.84472997       0.09955607      -0.23899750      -0.16712598
Li      12.38119997       2.72533996       0.53177303       0.26886111      -0.23876983      -1.14726370
Li       2.00449998       7.13275995       1.15142004      -0.22908693      -0.21026117      -0.57692899
Li       4.08736002       4.07251004       7.48765006      -0.32989082       0.16815038      -1.25653659
Li       0.69709902      10.42850000       7.04419994      -4.57261025      -3.56985333      -1.69063282
Li       0.90584605       6.06353004       7.40797005      -3.59326109       1.10026729       2.28424020
Li       7.38926999       1.24408994       7.06676000       3.73207798       2.29403907       2.32636848
Li      10.70509997       2.58224005       3.37504994      -0.04895429       0.13255731      -0.02480159
Li       0.52687494       9.48115994      10.53100001       0.12118264       0.40148009      -1.30985481
Li      11.82580002       2.21490005       7.99845001       1.04396040       0.56162805       0.26362921
Li       9.02662000       1.94630004      10.53490001       0.22880538      -0.53917472      -0.68351441
Li       6.01324001      11.27940005       5.70482005      -0.12595939      -0.72326990       0.63175487
Li       0.23081302       0.36112905      10.37789997       1.40139960       0.80916626      -0.28784611
Li      11.10350000       8.28437995       0.69323101       0.03228479       0.47691101      -0.29708599
Li       6.67233002       5.16771999       9.32331003      -0.25024654      -0.28831474       0.26659013
Li      10.60330005       6.91587003       4.07099000      -0.10319748      -0.24768050       0.27699719
Li       7.90585996       1.57124995       0.55880097       0.86784227      -0.03520929      -0.76748128
Li       7.98086995       9.22859002       3.31204001       0.09415071       0.07149908       0.14975681
Li       1.20129005       4.42010996       3.94132002      -0.04377376      -0.03865274       0.87959772
Li       3.81852999       9.97292997       8.12329001      -0.73019626      -0.00527393      -0.35589318
Li       7.76693005      11.67460005      10.11869997       0.26536714      -0.56786896      -0.34291767
Li       2.07031004       4.65727996      10.26029996      -0.35082310       0.15754405       0.37017065
Li      10.22409996       5.39938005       8.17605999       0.85323291      -0.02051910      -0.20857987
Li       5.73714005       4.85254005      12.81296273      -0.92084394      -0.69798824       0.33960608
Li       7.65375006       4.85415993       3.78503001       0.09531085      -0.41980386       0.43854648
Cl       9.79875997       2.23991994       8.29427998      -1.68079514       0.36425265       0.14802133
Cl       0.08926050       2.22600006      11.17800004      -0.15376138       1.26044420       0.55622155
Cl       6.65879999      11.14889994       3.66804006       0.61983619      -0.24685154      -0.90976220
Cl       7.11149997       5.98526997      11.83099998      -0.57798859       3.09428530      -0.12264324
Cl       0.28315600       8.73942003      12.42157153      -0.05782405      -0.80719425       1.47408773
Cl       4.25747006       4.32640004       9.52833005       0.78771466      -0.07051417       0.99930124
Cl       5.01876003       9.07994997       6.31306002       0.28689460      -0.11097921       0.22537043
Cl       1.95093999      11.50800004       7.53417000       4.97100347       5.34146926       0.94967118
Cl      12.25079996       5.84754998       9.32105003       0.18297852      -0.29035631       0.63184974
Cl       2.80735994       5.86961997      12.20719999       0.22423755      -0.08120667       0.33392833
Cl       1.53614995       8.88417994       8.29734998       0.00688425      -1.93079447       0.94043761
Cl       2.39456001       5.71851998       6.41861004       3.69355134      -1.11261840      -1.95155811
Cl       1.98876001       9.47792004       4.23276997       1.11344879      -0.32878279       0.50452185
Cl       9.07985000       9.51804998      12.02739993       0.21975142      -0.58642484      -0.06200535
Cl       7.15995004       3.42234996       1.46391996      -1.29584760       0.54139145       0.62303495
Cl       8.54349996       2.63238999       4.22645002       0.34700107       0.07275924       0.44866369
Cl       2.12223995       2.07404995       8.10666999       0.62797585       1.17731210       0.68326259
Cl       5.99874001       0.41829904       6.34895004      -4.40956176      -0.95823082      -2.28349493
Cl      11.26280003      10.02480003       2.20330003       0.03395788       0.13897383       0.40074393
Cl       7.89535000      11.25199995       7.53907996      -0.75520807       0.76722077       0.64543571
Cl       4.18886994      12.70487962       1.73761996      -0.70414358       1.12097356       1.39172531
Cl       8.83348999       7.27356994       8.62589005      -0.40234109      -0.08344912       0.08549750
Cl       2.06807004       6.17094002       3.22886998       0.60546794       0.93636198      -0.71996357
Cl      11.99470002       0.45270398       6.83490000       1.38200227       1.01630454      -0.45114730
Cl      11.82489997       5.49831005       6.28269995      -0.70033828      -0.04908736      -1.27284798
Cl       0.21066040       3.52475000       2.31918997      -0.16220937      -0.15956915       0.67687783
Cl      10.40990004       2.15754997       1.18984998      -1.01046900      -0.35584457      -0.18463754
Cl      12.28929995      11.53880001      10.28699998      -1.21467362      -2.05165621       0.20572428
Cl       9.57191003       6.75865997       1.76362993       0.19952954      -0.35870992       0.03715866
Cl       3.33073001      12.44230002      10.92230001       0.02541487      -0.27023320       0.36445738
Cl      10.74170001      10.90519997       6.25608999       0.50460692      -3.29857531      -0.65614410
Cl       8.28834999       6.92728997       4.88691996       0.48394816       0.71464679      -0.64946122
Cl       6.63922001       0.54691598       9.96964002      -1.40484633       1.20587390      -0.61865886
Cl       8.12454004       3.63582003      11.36470005       0.93370347      -1.56300722      -0.48970699
Cl       9.04644999      12.82753781      11.48949994       0.74201136       0.25713502       1.25538602
Cl       6.27834999       5.07960001       6.45311999      -0.32561237      -0.45034061       0.80965628
72
Lattice="12.87087454 0.0 0.0 0.0 12.87087454 0.0 0.0 0.0 12.87087454" Properties=species:S:1:pos:R:3:forces:R:3 energy=-247.1134055 stress="-0.011326279995858994 -0.0009681729216754279 -0.0008959732162882401 -0.0009681729216754279 -0.012189019135885772 0.0009471202677032597 -0.0008959732162882401 0.0009471202677032597 -0.0017630019208429084" free_energy=-247.1134055 pbc="T T T" config_type=melt 
Li       9.66467006       0.27359103       3.10753996      -0.43432394       0.15749266       0.51566396
Li       2.51563997       2.09555998       1.11741998       0.64190499      -0.34815973       0.92525808
Li      11.73739994       4.85853003       4.33769001       0.52466361      -0.87025336       1.61782830
Li       5.28504996       3.26689001      11.46239994       1.54445144      -1.94711666       0.31282720
Li       4.09147005       0.31000801       4.45479000       0.36299814      -0.44064997       0.63852376
Li      10.92190005       0.95872802      10.01990002       0.15542157      -0.52485587       0.64310587
Li       2.83204005       9.47614006       4.27476006       0.12767419       0.24565910       0.98186419
Li       0.76602104      12.02470000       2.61274995      -0.49978105       0.03868574       0.23857765
Li       9.12725995       6.13463000       1.73329995      -0.54659622       0.17877650      -0.31934509
Li       1.28448998       7.68585998       1.33664997       0.00026672       0.49942327      -0.17635195
Li       9.79970999       2.13046000       7.09440996       0.05463271       0.80761908       0.91265896
Li       1.77765003       0.50925803      10.94500005       1.43405937      -1.42132646      -3.23509769
Li       5.63907997       8.56703995       7.53500998      -0.31840176       0.11040899       0.30059207
Li       1.74748996       4.04619997       8.56300004       0.24546093      -0.55638752      -0.10586253
Li       8.82824006       2.65268004      11.48900005      -0.03020160      -0.81702767       0.58127728
Li       5.39322001       6.14653994       0.06091540      -1.67332432      -0.67421214      -0.30119013
Li       4.23115006       1.63097997       7.82110005       2.76977343      -0.23491414      -0.17907942
Li      11.41089996      10.20040001       7.58482001      -0.23125936       0.25966053       0.41942288
Li       7.08028005      12.81976829       6.62962003       1.40304755      -0.69814712       0.09926071
Li       6.97424001       3.81509994       5.38857002      -1.57423142      -0.08254844       0.21558063
Li       7.90045002       6.19590000      10.74880004      -1.80910934      -1.16204208       1.02417183
Li       5.91089997       6.89109004       4.35182995       0.46876436       1.75713693       0.08068714
Li       9.22836994       9.28597006       4.24605003       0.23997471       0.92213971      -0.05901106
Li       3.17184002       6.33163006      10.04209996       3.17498589       1.42395100       0.84734178
Li       7.05443997       9.80545001       2.12876002      -0.64160302       1.02017552      -0.29923472
Li      10.04900004       7.26061002       7.88123998      -0.35326503       0.07190161       0.14896519
Li       5.62832995       9.37568997      10.96129998       0.07241577       1.58252434       0.86123167
Li       3.44551999      11.11560001       0.44898797       1.12236455       0.13782292       0.39336192
Li      11.73480003      12.40150000       0.03002543       0.92770479      -0.88836855       0.42259229
Li       1.08054995       2.31671996       6.17324996      -0.12046942      -1.82937853       0.88875567
Li       2.54292005      11.10190000       7.29873998       0.99629530      -0.27785582       0.59537623
Li      11.48999998       6.06887000      11.26849996      -0.42603749       0.02785776       0.15857714
Li       6.55764005      12.72440000       0.30034997       0.05344795       0.67790005      -0.18947757
Li       2.41981000       6.05014996       4.80457995       1.26022545      -1.59123728       1.31040779
Li       1.50073998       9.51407002      11.20800002      -0.38274177       0.00418105       0.08221820
Li      10.03289999       8.96408995      11.65539999       0.08086319       0.18704457      -0.46649178
Cl       3.90513995       8.02231004       6.01934004       0.91344950       0.14170759       0.57635134
Cl       9.42621999       7.19273996      10.11280006       2.09641357       2.09770965      -1.77317892
Cl      11.57469999       2.30872998       8.42756999       3.23870715       0.67958306      -1.43273698
Cl       7.42181000       2.76520005       0.38056705      -1.28463946      -0.37414916      -0.10258715
Cl       5.07458001       0.31198305       6.56574998      -0.50138971      -0.74589697      -1.74601239
Cl       5.15153999       5.08527005       4.20051004      -0.51035206      -1.59123857      -0.21772038
Cl       6.00204995      10.61539999       0.21397301       0.73605614      -1.32737802      -0.17195406
Cl       7.14076004       7.01890001       0.01825296       1.78338932       0.52122177       0.23184706
Cl       9.50776998       4.61414005      11.51049994       0.85523350       0.81635444       0.45205912
Cl       9.19560996       1.97345001       9.49251002      -3.26640646      -0.35723347      -0.28312969
Cl       4.47483999       0.05847264      12.19129996      -0.68054705       1.17887103      -0.38117679
Cl       1.41845005       5.96979001       9.58843999      -3.72897632      -0.80224381      -1.16266929
Cl       1.34349998       4.15677996       5.36849004      -0.45812778       0.94351015      -0.37872113
Cl       1.43496994      10.77279997       0.94699596      -1.15214309      -0.58806938      -0.91202425
Cl       8.31016999      11.30850006       3.46932995      -0.56764103       0.13830207      -0.08039448
Cl       1.94535006       7.64552999       3.84851994      -2.09077090       0.73236811      -2.63403213
Cl       1.40348006      12.11590006       6.01507000      -1.01763904       0.26787147      -1.24139128
Cl       9.33907001       0.91265698       5.52957006      -0.55755379      -1.04561010      -0.70847806
Cl       4.17902006       4.84945001      11.25440004      -0.54405292       0.67291837       0.73926808
Cl      11.76380004       8.02559997      12.65689998       0.45166408      -0.47493033       0.20745786
Cl       2.70540004       7.88703998      12.06010005       0.17383701      -0.12493930       0.72377164
Cl       4.89085999       3.43198999       7.72952995       1.07461290       2.60595600      -0.07629314
Cl       2.50846999       0.45848501       3.09122999      -0.23486262       1.27492056      -0.82948153
Cl       6.47249998      10.57350002       7.88099994       0.30109560      -0.03053489       0.04998620
Cl      10.27220005       0.83691201      12.58159996      -0.88410601       1.02112171      -1.00703402
Cl       1.31200006       1.31708998      12.53929996      -1.92776593       1.26353551       1.96394970
Cl      11.23959995      12.02880002       2.21126001       1.32113596      -0.47683499       0.25176546
Cl      10.97449996       5.61853998       2.73410994      -0.11104036       0.76802486      -1.55230165
Cl       9.95539004       8.81044003       6.21615000       0.69936769      -0.13853271       0.99558187
Cl       2.07961001      10.36939999       9.23557994      -0.16878156      -0.05891509       0.70335805
Cl       4.00976999      10.28510001       2.82912003       1.10065482       0.44288970      -0.38894593
Cl       7.99757995       8.18611998       2.98804998      -0.27377043      -2.26083159       0.18042789
Cl       2.51352001       1.37517006       8.29413995      -4.96148076      -0.15002472       1.77649740
Cl      10.95830004      10.56030003      10.15739996       0.22929754       0.17321560      -0.45472877
Cl       5.65607004       7.64718995      10.01129996      -0.03643717      -1.50305557      -1.47978487
Cl       8.92391004       4.20263000       5.16957994       1.36351883       0.56445702       0.27746878
72
Lattice="12.84543788 0.0 0.0 0.0 12.84543788 0.0 0.0 0.0 12.84543788" Properties=species:S:1:pos:R:3:forces:R:3 energy=-247.34327939 stress="-0.0064181494265379314 -0.0001765912548759618 0.0023709060353803413 -0.0001765912548759618 -0.009971616738498348 -0.005601076375411807 0.0023709060353803413 -0.005601076375411807 -0.009469083235295703" free_energy=-247.34327939 pbc="T T T" config_type=melt 
Li      12.07709996      12.55414394       6.95714002      -1.77886260      -0.02470651       0.69839656
Li       2.34318000       4.54501997       1.37552006      -1.57288275       0.87672525       2.33185733
Li       2.27919996      10.27370003       6.20462999       0.51902613      -1.15581870       0.24494120
Li       4.52886003       7.88882002      12.14389996      -0.14293209      -0.08595432       0.01136800
Li      12.15249998       9.30556006       5.88337998       0.08854473       0.30296133       0.13898806
Li       9.94304998       6.88261002       6.08369996      -0.24844191      -0.16629171      -0.16802216
Li       3.77417000       3.86710995       5.74110995      -0.63134539       0.16952492       0.00605556
Li       8.89701001      12.72096584       4.02651002       0.86135546       0.40094090       0.43311627
Li       4.95645999       0.22321299       5.70522005       0.08111068      -0.20366087      -0.21064444
Li       4.39058004       1.01682996       2.50661006       0.54196146      -0.19788708      -0.81742570
Li       8.71218998       6.62387002      10.67319996      -0.30654261       0.29121631       0.25628304
Li       2.12800003       1.82346000      11.84319995       1.44013827       1.25385840      -1.80105903
Li       5.86276999       9.92231000       9.50871002       1.49272752       0.40039953       0.88947486
Li      12.00389997       0.31738701       0.70086700      -0.91044411      -0.70686219       0.51900869
Li       0.89455796       0.89366199       4.90635996      -0.10904671      -0.00643501       0.00111185
Li       7.99183003       1.79587995      11.17420004      -1.35763297      -0.48996600      -1.55154540
Li      11.64680001       2.56785005       8.76920998      -0.13185550      -0.51407588      -0.09606778
Li       5.55472997       8.71004004       6.25746996      -0.09034130       0.20432613       0.51058284
Li       8.55722994      10.42979998       7.33170002       0.31538704      -0.27975977       0.23283078
Li      10.47760004       9.37041000      10.05259999       1.34413153       1.44024992       0.97161755
Li       1.30464998      11.13339997      11.67180006      -0.24047521      -0.25864363       0.33934410
Li       7.52372005       3.15263000       6.47137001      -1.08964874       5.87755104       3.15610226
Li       5.70092004       6.34090005       3.22210995       0.25441224      -0.06035310      -0.59753019
Li       4.89599998       4.14051996      12.10820005      -0.23706270       0.58096575       0.94171219
Li       5.69848005      11.98780002      11.83519994      -0.62105178      -0.09593315       0.53493613
Li      12.81390002       5.85033997       4.11850995       0.22896352      -0.84663952       0.76222855
Li      10.88429996       3.31652995       5.66902996       0.29362906      -0.67645791       0.43566338
Li       9.16962000       9.41667002       3.66744997       0.39999714      -0.36498912       0.62300906
Li       2.08540995       8.34017004       9.31500005       0.64628652       0.05699895       1.04941207
Li       7.81523994       2.22171996       1.33669999      -0.77493065       0.04272437       1.07846476
Li      10.55350000       4.43485005       0.22527597       0.09514048       0.14271261       0.16089341
Li       6.49267995       9.41189999       2.49134005       0.19072521      -0.08116174       0.32912630
Li       5.68058006       5.36149001       8.79337006       0.70811877       0.87312394       3.73870421
Li      12.12030007       7.76593003      12.68219998       0.61312837       0.39065774      -0.17406769
Li       9.40653998       5.64074995       2.99664001      -0.31674890      -0.02678923      -0.31545142
Li      11.81610006       6.50996002       8.64373998       0.94292170      -0.51258442       0.43702127
Cl       7.33342002       4.47189000       2.09047003      -0.15370530      -0.45830956       0.18721658
Cl       1.68244998       4.60829994       5.76276003       0.00419378       0.00195420      -0.19059796
Cl       0.66323796       5.68509998       2.20340005       0.17403340      -0.00649384      -1.21208385
Cl       6.32522001      11.96190002       9.85918996       0.27392324       1.16205078      -0.43778772
Cl      11.96489994      10.89490001      12.54070003      -0.17647340      -0.23500075      -0.09571705
Cl       7.81389001       1.69684997       5.64446999       0.61431754      -6.27101735      -3.26746813
Cl       7.22378999      12.41419996       2.74464001       0.18082374      -1.07725995       0.54223383
Cl       0.22534495       8.36896001      10.58769995      -0.09923071      -0.22026562       0.27198851
Cl       3.58094995      10.06129995      11.54710002       0.03868587       0.06454518       0.67094244
Cl       1.09242999       0.59806201      12.76370005      -0.69919461      -1.97045974       1.04389770
Cl       1.47663999       8.66082004       7.43877997      -1.00069889      -1.04122917      -1.28654143
Cl       5.32493998       4.82673995       7.07173006      -0.32879385      -1.14796261      -3.46295287
Cl      11.11309994       0.35998697       2.85553994      -0.03083844       0.04658901       0.11283979
Cl       3.29013001       1.17875005       4.24599000      -0.38043891       0.47054444       0.98539528
Cl       8.21909999       7.52328998       2.67734995      -0.74357557       1.30027120      -0.22286912
Cl      10.75149997       4.12821994       3.77257999       0.72420529       0.01537834      -1.33734578
Cl       4.41661004       8.90024000       8.69883997      -0.73168474      -1.58372006      -1.39765137
Cl       5.24415001       8.50090000       4.12920994      -0.26010803      -0.56815037      -0.82206050
Cl      11.98350001       4.51657003       9.82057002      -0.13621333      -0.09652287       0.03489743
Cl      10.47669996       6.68525002       0.65546210      -0.39977198      -0.67571131      -0.57422426
Cl      10.13560002      10.77249995       5.73748997       0.55752602       1.19433070      -0.47851366
Cl       4.08943006      11.00059998       5.73431998       1.63458394       0.73853346      -0.02999121
Cl       3.94429999       5.74227002       1.21776999       2.30832847       2.01063454       0.35058019
Cl       9.14264998       2.55248999      12.59020006       1.76824320       0.62034747       0.40157162
Cl      11.64620000       7.60176006       4.51826999      -0.59885364       0.47880539       0.51362869
Cl       8.42112006       8.48737002       5.75722005      -1.39936359      -0.54132416       0.71445168
Cl       0.56739198      11.23149994       6.34005996      -0.38062032       0.82777013      -1.05159042
Cl       8.48369995       9.45719994       9.53602995      -3.44351235       2.81081291       0.10540393
Cl      10.65690000       0.24817206       8.56972996      -0.59230344       0.04596451       1.01776731
Cl      12.51509998       1.70268000       6.72617995       0.72810364       1.78203649      -1.01995292
Cl       9.24309000       4.61028006       6.34627998      -0.25126409       0.84725186       1.16778838
Cl       5.54439003       0.62842104       0.67376801      -0.44999300       0.71630684      -1.10731885
Cl       6.01939005       3.42686995      10.49479995       0.67575627      -0.46112174      -0.78667583
Cl      10.09929996       7.61557996       9.16445999       1.55775281      -3.94923594      -1.53723049
Cl       6.37984999       6.80362998      11.31569999       0.07388142      -0.01326902      -0.29073199
Cl       2.72815996       3.58343002      12.63929994       0.44481968      -1.36704057      -2.61173439
72
Lattice="12.82310706 0.0 0.0 0.0 12.82310706 0.0 0.0 0.0 12.82310706" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.33404054 stress="-0.013682276407862062 -0.001906625037678243 0.0030540853651682496 -0.001906625037678243 -0.0007981924048807092 -0.0005044762415746767 0.0030540853651682496 -0.0005044762415746767 -0.0038634082345486193" free_energy=-249.33404054 pbc="T T T" config_type=melt 
Li      10.53189994      10.54310002       8.40653996       3.75444454      -0.20614057      -0.61397908
Li       9.88088002       0.26710006      10.70520000      -1.00911622       1.00156183       0.75604848
Li       3.96912004      10.87689999       6.49594996      -0.65944988      -0.00484754       1.08888617
Li      10.03870003       2.11760995       7.87307998      -0.62521477       0.52826986       0.66667375
Li       5.93014998       3.25949994       9.13719995       0.49397982      -0.30380582       0.29314456
Li       2.37845003       8.23009003       4.42984005      -0.39855042      -0.18723087      -0.32145881
Li       9.98181993       5.96825000       8.84475002       0.48771785      -0.71481772       0.06467428
Li       7.13393006      12.22209996       8.96308999      -0.33427905       0.69741532       0.01733972
Li       4.12410999       2.75102002       4.67382005       1.58264611      -0.71410532      -2.74513428
Li       1.00949000      10.44360002       1.47299005       0.43095928      -0.21342657      -0.58519445
Li       6.95970994       9.99992000      11.51949999      -0.45700995      -0.08982139       0.08398041
Li      11.98259997       8.81891005       4.38691995      -3.00848637      -2.06379310       1.55315337
Li       0.92158901       3.30364003      11.48870005      -0.43697826      -0.11019666       0.32259824
Li      12.14429999       8.37545995      11.31940002       0.54292792       0.01868222       1.22268416
Li       0.72355202      12.52710000      10.64460004       0.56800062       0.58252370       0.32703320
Li       7.16550004       8.00421997       8.69027005       1.90444511      -0.47238961      -2.39989844
Li      11.63899994       5.65755996       1.42273001       0.45864229      -0.34811151       0.68798311
Li       9.24271002       3.02616004       2.70310994       0.38964333      -0.26503853      -0.28288696
Li       8.91435000       5.63962005       5.53821005      -1.48216520       0.86402396      -0.98890442
Li       0.64605198      11.65119997       6.62206997      -0.70320051      -0.53615043       0.35505240
Li       0.78423904       7.69060999       7.92038994      -0.19063284       0.80191324       0.15146095
Li       5.91176998       3.25258995       0.93616901       0.20697785      -0.17522749       0.01967923
Li       9.14843005       3.80368003      11.64260003       0.24812940       0.69567559       0.71620727
Li      12.10999997       4.33903001       5.47658002       0.53760570      -0.76620024      -0.73969972
Li       4.62417000       5.97841000       6.66577996       0.58714047      -1.00854183      -0.13984410
Li       5.63670998       6.50082005      11.74609994       0.16328327       0.27042944      -0.05803660
Li       4.27847994       9.16933004       0.74888997      -0.91085701       0.23585884       0.46680152
Li       6.81764004      12.18919997       5.15562996       5.33613344       4.63998810      -0.48044004
Li       3.52754994       0.41179805       0.40970494       0.69244469      -0.20026133      -0.17296191
Li       7.64022005       7.48134996       2.07776997       0.65115653      -0.28545480       0.39767107
Li       1.74388999       4.87948999       2.38425005      -0.15926714      -0.18788541      -0.13204021
Li      12.36940001       1.44865000       1.43555004       0.15877732       0.00576818       0.00467112
Li       7.92023003       0.16722601       0.65624905      -0.45180892       0.00904180      -0.90970128
Li       2.70243006      12.01309998       3.51606005      -0.04960042       1.23891307       0.52393326
Li       3.43353002       9.73649004      10.13050001      -0.21051633       0.17877752       0.61963844
Li       2.87531004       1.26766005       7.82176998       0.32621891       0.18142105      -0.16191773
Cl       0.50587298       9.78770002       3.59398005       0.34624601       2.06565041      -1.24860041
Cl       8.74778002      10.56989993       8.85037000      -3.67434971      -0.56279888       0.12604791
Cl       4.25807004      10.85029999      12.25879995       0.71255710       0.92258838      -0.75396697
Cl       7.81718996       2.03648995       8.52615005      -0.77960560      -1.11215952      -0.57085995
Cl       5.08056003       0.12674795       7.73940999       0.29226852      -0.11237986       0.90717920
Cl       0.57523304       6.41307999       3.33361994      -0.38300510       0.69961002       1.13569368
Cl      11.48540002       7.56656002       9.54236000      -0.03987632      -0.26274355      -1.37288010
Cl       8.28869996       2.05671994      12.29629997      -0.15462491      -0.15882803       0.05343511
Cl      10.56900001       5.25760995       6.55849005       0.48290786       0.94570338       1.22653338
Cl       5.83746995       8.35996002       9.96994997      -2.16503525       0.50505998       1.86381299
Cl       5.97341002       4.36129002      11.37520003      -0.29192013       0.08696580      -0.29015143
Cl       3.51572998       3.89509994       2.97673004       0.40521734       0.37828070      -0.32495514
Cl       7.44918999       4.27832003       2.28713002      -0.00656374       0.98523542       0.22494830
Cl       1.63789995      10.07720000       8.76903996       0.95453596      -0.02893764       0.32222357
Cl       6.25826996       8.34464000       0.41150697       0.63699232      -0.68236512       0.26507726
Cl       5.51899001      11.11780001       5.23474994      -3.85414228      -4.77311413      -0.85164528
Cl       6.80985001       6.18173999       6.97248996       0.49332812       0.10816929       0.35213447
Cl       7.70244995      12.07459999      11.38270001      -0.14798679      -0.54066383      -0.03169480
Cl       3.19348005       7.38662003       6.46097994      -1.30157900       1.06696320       0.01806110
Cl      11.75819995       3.12613001       2.71632005      -0.61767752       0.38842771       0.67573916
Cl      10.58050003       6.48926002      12.65210003      -0.85533009       0.60968523      -0.49307869
Cl      11.51910004      11.89370006      10.37929996       0.24066683      -1.14480688      -0.70364331
Cl      11.47460001       2.30654997       6.40706006       0.86227518      -0.73062777      -0.58674417
Cl       8.37379000       0.99152803       2.43485003       0.49752818      -0.43229284       2.06640221
Cl       1.73503999       9.10862994      12.28299997      -0.81879237      -0.44299118       0.17695480
Cl       1.86456004       1.93594999       9.77565002       0.05305776      -0.29816745       0.12823036
Cl      12.01780004       1.88040004      12.21610003      -0.49607422       0.28932835      -0.88501149
Cl      12.18479998       9.80740003       6.86462994      -0.79481150      -0.30164465      -0.73134460
Cl       3.20564994       3.11498006       6.23114998      -1.35378433       0.85814431       3.42142201
Cl       0.67661804       4.91428998       0.48982794       0.83231001      -0.34259497      -1.32850300
Cl       2.48517996      12.45580006       6.09525005      -0.31121268       0.45425154      -1.05731354
Cl       9.80319995       3.74982004       9.69910004       1.21236435       1.21389362      -0.73574135
Cl       3.14193000      10.07389997       3.25103002       2.46007503      -1.20065921      -1.15871316
Cl       1.44104000      12.75080000       0.36765105      -0.44162541      -0.60498237       0.79828740
Cl       9.31411998       7.92913004       3.85839995      -0.20417224      -0.37005956      -0.10883914
Cl       5.02474002       1.30148997       1.79165003      -0.22430249      -0.57195683      -0.13571307
72
Lattice="12.80308723 0.0 0.0 0.0 12.80308723 0.0 0.0 0.0 12.80308723" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.10651997 stress="-0.006447353029556827 -0.004118058561299911 -0.0022215255944895637 -0.004118058561299911 -0.007015905633666828 -0.0002647599924334135 -0.0022215255944895637 -0.0002647599924334135 -0.002734121621255903" free_energy=-249.10651997 pbc="T T T" config_type=melt 
Li       7.06385999       9.55580001       1.27994998       0.42887401      -0.23329502       0.08675969
Li       2.01700003       3.33755001       8.73291001      -0.36214471       0.48189669      -2.59231120
Li       4.04850006      10.15389995       7.47901994       0.20798632      -0.47127177      -0.73539604
Li      10.25000005       3.83366003       6.63585996       0.31638078       0.49717013      -0.38078437
Li       2.24399006       5.60902995       0.45459602       0.23539189      -0.09185949       0.71478816
Li       3.96559994       8.62471995       4.03562003       0.12474459      -0.33567849       0.27744038
Li      11.20430005       5.07716001       9.38861999      -0.75341019      -1.34841487      -0.28900910
Li      12.32120002       0.05427126      11.20630002       1.82503363      -2.05065855       0.30381286
Li       1.52236005       3.15874004       3.54594995       0.49622527      -0.53267007      -0.15791626
Li       2.47182996       1.26541003       1.07064998       0.31997589      -0.40712978       0.03885137
Li       7.63799997      11.18310006       8.67037000      -0.22533614       0.46483734      -0.93637833
Li       6.08872002       0.98660398       7.48035005       0.11943898       2.20723197       0.65433845
Li       4.11092996      11.45219995      12.13059995      -0.20099812       0.36049623       0.50619348
Li       6.70598003       5.54341004       1.05069995       1.62481656       0.87418951       0.58076266
Li       4.11521004       3.15347003      11.82960001      -0.04635129      -0.82947799      -0.27648000
Li       0.66688004       7.09622005       3.49995998      -1.61158209       0.05671978       2.29343184
Li       0.63814402       1.88469996       6.21778001       0.01477988       0.08593745      -0.42946126
Li       9.62341005       1.44197996       9.21691996       1.78966929       1.18073489       1.14995250
Li       5.10406006       5.47953006       8.11197999       0.93949399       3.15246607       1.31761405
Li      10.59159999      10.15950002       4.28826002       0.91010913       0.53699301       1.00954228
Li       0.69968206       9.43833002      10.15630001      -0.17303227       0.32559971      -0.13099408
Li       0.79130902      11.67400000       2.00621996       3.84756982       2.14250888      -3.96655417
Li      10.58069995       7.02981005       0.42974996       0.30172199      -0.27804278       0.22904536
Li       6.05075004       8.31930999      10.93500004       0.85255754      -0.21680521      -0.81895607
Li      10.98910000       3.86793006       2.48824006      -0.48187716       0.46809024      -0.25001908
Li       9.46364006       6.81491997       3.41555000       0.26164318       0.17747727       0.07282545
Li       4.77923998      12.40230003       4.14764999       0.69029284       1.66162130      -1.14100664
Li       7.46673000       0.45266403       0.50198895      -0.67027854       2.21306858       0.66423277
Li       0.30319900       5.61857005       6.44944995      -0.48009455       0.76471928      -0.15778019
Li       9.47152997      10.11530005      12.01529996      -0.01751654      -0.20735182      -0.19355191
Li       8.74874998       7.58236006       8.48634994       0.29392684       0.31957470      -0.15174008
Li       7.85527003       2.88306000       4.03598005       0.33558675       0.57518270      -0.07049459
Li       2.77021000       0.32824094       9.57811003       0.38681934      -0.18906495       1.14292574
Li      11.25440006       9.05406994       7.36427995       0.66103157      -0.59103826       0.16175103
Li       1.49581003      11.38199998       5.30049002      -0.11439848      -0.11769815      -0.24172461
Li       7.27598001       9.60244000       5.10580000       0.42647526       0.28881509       0.52403914
Cl       1.71437000      12.68610004      12.29729999      -1.06757023      -0.23539866      -0.71810055
Cl       3.90327003      10.82079996       4.91998995      -1.27082144      -1.63767227       0.71343694
Cl       2.55315005      10.83029998       8.92302996      -0.21836275      -0.30980964       0.91253450
Cl       1.77335997       1.07544998       7.90602006      -0.43142317       0.31107956      -1.15887291
Cl       4.90508997       0.64274801      11.42080000       0.27382455       0.30551875      -0.34305105
Cl       9.51100995       3.69173999       8.64496995      -0.55579666       0.12012338       0.22733184
Cl       9.79798001       9.07910997       2.78340998      -1.00621889      -0.50097219      -0.34728963
Cl      12.38389994       3.63446000       4.28211006       1.11373455      -0.05848525       0.56422251
Cl       6.76773995       1.08872998       3.79329996      -0.27872129      -0.46161581      -0.17354232
Cl      11.99290006       6.69065000       2.23199997      -1.78722621      -1.08201208      -1.11280443
Cl       8.64902994       7.84679003       0.14920295      -0.27213120       0.16445665      -0.57764063
Cl      12.51209994      11.01579994       3.19415005      -3.33098390      -1.97880751       3.72276501
Cl      11.72339994      10.77519997      11.44519999      -0.07367444      -1.11196647      -0.28933180
Cl       1.70658994       0.83970994       4.05606003      -0.02262601       0.32140401       0.43721323
Cl       6.08563998      11.92520002       6.99883004      -0.88334266      -3.02113320      -0.99461691
Cl       2.15602004       7.45772994       2.46092006       3.44979303       0.54147273      -1.71640447
Cl      11.37340002       1.65697004      11.13539998      -1.93004888       2.50412855      -0.50579195
Cl       5.37278995       4.60728005      12.76380006      -1.14859314      -0.32445440      -0.86592246
Cl       6.45575995       8.16238997       3.77449005      -0.24807642      -0.10241869      -0.49232769
Cl       8.04070994       0.46570705       8.62796003      -0.55492751       0.31399431       0.07659156
Cl      10.84329998       7.01232001       6.43857002       0.07367220      -0.78773106       0.17116267
Cl       2.56072000       3.45008005       1.60798005      -0.13843150       0.51543518      -0.37070275
Cl       3.92639996       7.71826995       6.63316004      -0.13323627       0.28280833      -0.01492593
Cl       2.28669002       2.81973004      10.52699996       0.54138234      -0.04509378       2.85468005
Cl       9.70705005      10.07180002       6.48772004      -1.94661256       0.88119681      -0.44425099
Cl       4.65161996       3.97889006       7.14872001      -1.03419366      -3.23843724      -1.50288224
Cl      12.60079999       4.07454000       7.78446998       0.58676619      -1.01290418      -0.24607706
Cl       9.66235998       4.40489000       4.41365000      -1.70527095       0.04237441       0.14248945
Cl      12.36919995       6.61932003       9.82254005       0.90688361       2.00121184       0.85235096
Cl       0.17527798       9.73214999       6.30347005       0.89638639       0.20927914      -0.07519405
Cl       8.97769005       4.34941000       0.96437501       0.15170034       0.06827686       0.50796701
Cl       5.47252997       8.50039007       0.14719197      -1.03083139       0.16546029       0.21445929
Cl       3.66581002      12.06640002       1.59458995       0.69775929      -0.25003507       0.94537172
Cl       6.73447996       7.00752999       8.81919001      -0.75145928      -0.53322798       0.27243567
Cl       7.73349999      11.48279997      12.65949997       0.31732934      -2.01129578      -0.13669430
Cl       7.99505004       9.66631998       9.95516006       0.53782326      -0.97962314       0.66366251
72
Lattice="12.76578468 0.0 0.0 0.0 12.76578468 0.0 0.0 0.0 12.76578468" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.8873518 stress="-0.00911024669846437 0.007357072601717495 -0.00032831515774917996 0.007357072601717495 -0.01380687737095708 0.00023027600403741956 -0.00032831515774917996 0.00023027600403741956 -0.0034214511301899034" free_energy=-249.8873518 pbc="T T T" config_type=melt 
Li       2.52176996       6.28932999      10.72530000       0.08160099      -0.00910753      -0.17387841
Li       6.42336996       4.43088003      11.39680006       0.40254053      -0.19826685      -0.43123371
Li       7.73514000       0.36459004       7.96882994      -1.82981367       1.04215545      -1.44673927
Li       3.00266996       7.83331003       1.11709999      -1.33366201       0.86257415      -2.45493404
Li       0.90615395      10.99579995       1.63732001      -0.34399300      -0.06285595      -0.11208230
Li       8.86861006       7.03563002       9.37766002       0.41593781      -0.05366674       0.19411552
Li       2.22965000       4.50496997       7.60840997       1.08398036      -0.53548361       1.24983505
Li       6.14037996       5.85696997       7.27451002      -0.85240547       0.27773499      -1.26095349
Li       9.65117002       2.04621997      11.23660006       1.08630921      -2.82362882      -0.16402147
Li       9.11330998      10.24780003       9.37309996      -0.48260874       0.10522946       0.23578297
Li      11.25360000       0.45244200       8.72666002       0.80195174      -1.40038392       2.67436196
Li      10.19269997      11.60199996       0.12814001      -0.29060368       0.29110402       0.00223103
Li       8.65943004       1.54033005       2.11199006      -0.61575285      -0.09678210       0.53713933
Li       9.58104999       4.72602995       0.44371506       0.28297624      -0.46523455       0.88914976
Li      12.34889998       8.00798005       3.19429996       0.12807957       0.24492894      -0.27313129
Li       1.62353003       1.77876005       4.95882004      -0.12442396       0.44785791       0.45155389
Li       4.90652998       8.79249994       3.05131998       0.47104193       0.79660479       0.57917430
Li       3.69699997       8.31190006       7.29847995       0.52330806      -2.19492962      -0.56675012
Li       0.22454096       4.86178999       2.90977998       0.39738653       0.35691067      -0.27094868
Li       9.70749994       5.87129994       4.47020006       0.81600998      -0.88998660       0.46552155
Li       6.95730006       4.23581999       3.85874003      -0.20114691      -0.41206708       0.00234825
Li      11.81060003       3.79824004       6.91768004      -0.76947125      -0.80353420       0.43819995
Li       0.77492398      11.33440001       5.98851998       0.01951638      -0.21958405       0.02405656
Li       8.74123000       4.06063002       8.56910994       0.20979355      -0.53970388       0.13024461
Li       3.63864999      12.11410005       7.42012000       1.17369383       0.61479234       0.34073884
Li       2.12896995       2.13661002      11.02919997      -0.50337771      -0.89682611       0.18267674
Li       6.03020001       0.53376695      11.44289999       0.11913833       0.74359108      -0.19421307
Li      12.16429997       1.16006004       1.93128003       1.50053906       0.15379486       0.76806486
Li       3.06698998       2.63036006       1.48773999      -0.69776354       2.79496823       3.48372474
Li       3.96867999       5.78187001       4.24651006       0.19643114      -0.84976527       0.76585536
Li      11.58410003       8.59711999      11.80570001      -0.27816165      -0.07577023      -0.30107156
Li       7.48436994       8.75433995       5.36826994      -0.39181980      -0.42215299      -0.08229472
Li       6.86603006      10.93069994       0.53143796       0.18488489       1.06404719      -0.05787830
Li      10.28040002       1.44898996       5.08260998       0.55687686      -0.35681155      -0.36431634
Li      11.88459997       7.34553004       7.68504999       0.44616378       0.01481259       0.14047347
Li       7.26524002       8.33865000      11.97069995      -0.22478922      -0.96557263       0.06703271
Cl       0.93879198       2.93094004       2.97389001       0.55463374      -1.19660218      -0.59350373
Cl      12.64979999       7.30283997       0.37348499       0.48140469      -1.01205806       0.28398786
Cl       1.44194006       6.31256002       8.16933995      -1.42576524       2.19303906       1.43195843
Cl       7.06306994       2.09989001      10.01969997      -0.47766726       0.43247981       0.39351243
Cl       9.02308997      12.58879997       9.32796997       2.00372521      -1.34742504       1.59381915
Cl       8.80436995       3.57157996       2.82152998       0.20980651       1.28683742      -0.73708981
Cl       2.75233994       4.04876997      10.52540006       0.34860606       0.72481221      -0.30357814
Cl       5.19553994       8.46724000       5.35957006       0.49248682       0.14981220       0.16283956
Cl       3.79323994       5.62484996       6.62593999       1.93637203       0.23408594      -0.75213975
Cl       7.17077002       5.49965004       8.99336995       0.06409448      -0.41009098       1.06753060
Cl       7.50705998       8.63453995       8.88570996      -0.46486200       0.78401704      -0.29592387
Cl       0.92437800       3.89613995       6.24321002       0.01885211      -1.02486318      -2.14608783
Cl       5.46322006       0.29179099       8.42414999      -0.55594434      -0.94777962      -0.47454505
Cl      10.47980004       1.58080001       1.03534995      -0.78700549      -0.19304948      -2.10650954
Cl      11.75280001       0.01785065       3.72058003       0.41550645      -0.31750531       0.57354732
Cl       1.75239003       9.20903996       2.43216002      -0.02730687       0.54594907       0.40476209
Cl      10.55819996       5.37762994       7.56124001      -0.73223994       0.55067938       0.33139736
Cl       6.72175001       9.76376003       2.19854003      -0.15995449      -0.67866965       0.79268587
Cl       2.01968003       0.60500998       6.95800000      -1.10773190       0.09584160      -0.91877088
Cl       8.88883004       3.75105004      11.40450000      -0.08487866       2.58129207       0.17132200
Cl      12.62100000       1.03981006      10.63970005      -0.19052052       0.11008871      -0.08086444
Cl      11.97799994       9.24470999       5.09008001       0.11822784       0.06929275       0.50725337
Cl       8.27355994       1.90092006       5.27091003      -1.15596965      -0.24934615       0.65091454
Cl       4.43474002       7.24183995      12.01390000      -0.17236356       0.07212502      -0.29149229
Cl       7.99884000       6.21034004       5.05033999      -3.76863473       1.00423705       1.41789990
Cl       3.88236005       7.06321994       2.60031004       0.99560280      -2.20844227       1.29261648
Cl      11.25760003       5.81916997       3.42226994       2.04180241       0.70011611      -1.36442830
Cl      10.75999995       8.79864999       9.52377005       0.77314649      -0.62699892      -0.11002495
Cl       6.95584003       0.64934798       1.08405997      -0.38458148      -0.85914045      -0.96115775
Cl      12.00589994      10.44249995       0.22680497       0.15198037       0.79977443       0.13474246
Cl       8.67290994       6.48114995      12.58030000      -0.80991029       1.75711618      -0.28286559
Cl      10.87300000       1.50024995       7.21822006       0.04462812       2.04121425      -2.11084237
Cl       3.54076004       1.50280004       0.16713399       0.82950253      -2.84091022      -3.33687896
Cl       8.52426004      10.08960005      12.04969999       0.34595510       0.80083091      -0.24025775
Cl       3.11985999      10.13440004       7.53403995      -1.37657451       0.92522579       0.31360086
Cl       4.68997006       3.45063002       3.29808005      -0.10279011       0.51502209       0.11473602
72
Lattice="12.73998373 0.0 0.0 0.0 12.73998373 0.0 0.0 0.0 12.73998373" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.66321961 stress="-0.0057793447986880025 0.007749399884390076 0.0029621774206331 0.007749399884390076 -0.000833896396099503 -0.0004681910971996628 0.0029621774206331 -0.0004681910971996628 -0.006979865830532534" free_energy=-250.66321961 pbc="T T T" config_type=melt 
Li      11.87850004       5.80698994       4.85739003      -0.20506362       0.37574481       0.64178910
Li       4.56064995       3.26980995       6.08785002      -0.05947067      -1.08063219      -0.79031909
Li       9.16430995      11.08639996      11.47389994       2.30967014      -0.07955383      -0.70747547
Li       1.96210999       5.50290004       8.18579002       0.91116848      -0.16895413      -0.60664537
Li      11.32150005       5.14165003       9.05445002      -0.91515344      -0.35009856      -0.22409403
Li      10.67910001      12.67339999       8.56388000       0.35418606      -0.45691368      -0.40151907
Li      10.45149994       8.74518997       1.44524006      -1.14085362      -0.41027735       0.15579975
Li       1.79826004      10.93650004      11.83039998       0.14882896      -0.20415529      -0.42906734
Li       4.64122996      10.94960006       2.30624001      -0.80923972      -1.07045509       0.09586982
Li       7.27894996      12.45049996       4.92690996      -1.48574147       1.62238734       0.79555149
Li       7.62459998       8.63121999       3.86162997       0.98446272      -0.20495060      -0.81413055
Li       9.24334002       2.40035002       7.02115001       0.18225985       0.20791459      -0.34269763
Li       1.21473006       4.56350001      11.46310001       0.40226755      -0.56129173       1.28121433
Li       5.30890996       0.54053101      11.76790004       0.01975390       0.19604146      -0.21746477
Li       5.01563999       4.82141996      10.14139995       2.48155835      -1.75416212       0.84645929
Li       8.59710995       7.19235998      10.06870000      -0.20297393       0.09047706       0.59143659
Li       7.57695996       5.93664004      12.62770001      -0.13860899      -0.03088344       0.25207868
Li       2.63790995      11.94140002       8.25927005      -0.46218082       0.15018740       0.21251603
Li       0.47243898      11.83930000       1.98673001      -0.09630175      -0.62684705       2.14136017
Li       5.79797004       7.74592998       6.45093000       0.25219318      -0.08498818      -0.29313572
Li       9.72913000       3.00400000      10.89630004      -0.42013202       0.64618134       1.83998806
Li       1.13642005       4.56289002       2.35177998      -0.99932756      -0.02145577       0.50421443
Li       1.07416001       8.13583005       3.03904999      -0.48633960       0.08075893       0.24420597
Li       6.19246006       9.09306007      12.22160003       0.32697071      -0.15939451      -0.39266691
Li       2.59301998      12.43010006       4.58366001      -1.33126336      -1.79709252      -1.75180886
Li      11.42440001       9.04958003       7.40940000      -0.25426930       0.09379665       0.15489287
Li       8.14427997       4.79433004       5.37149997      -0.11901962      -0.12903905      -0.28647879
Li       8.88777994      12.42280005       2.20188005      -0.68172729      -0.05362588       0.32191979
Li       3.33087002       7.88786996      10.46019995       0.63171643       0.32826126       0.06079658
Li       6.61351003      10.98149996       9.36787999      -0.01253506      -0.38228403       0.04899012
Li      12.00890002       8.39015006      11.09099999      -0.59368380      -0.08576855       0.19432353
Li       4.29149002       7.31119001       2.30597005       0.13087265      -0.29749187       0.23769164
Li      10.23680000       4.75579006       1.33172999      -0.46444659      -0.42616733      -0.42003407
Li      11.79940003       1.45070997       0.22387298       0.61247010      -0.90240108       0.17303246
Li       6.81053999       2.62384003       2.78801995      -3.73830091      -0.66585336       2.00026951
Li      11.04209998      11.48200003       4.91199997       0.06973139       0.21606306      -0.03102070
Cl       8.17508003       2.79020995       1.69342004       3.46080388       1.28282900      -3.16586685
Cl       7.74243999       6.91791996       5.15546998       0.09968923      -0.78570177       1.18815341
Cl      11.77920002       8.50650994       4.73150995       0.05725916       0.12040320       0.47203107
Cl       4.44261005       8.97468001       0.84491598      -0.25099260       0.36294393       0.11141592
Cl       0.15698998      11.65470006       7.87277996      -0.00464348      -0.09150263       0.12153862
Cl       3.49250003       5.84991999       9.74537004      -2.34294832       1.70994380       1.00199966
Cl      10.48759996       0.91804399       1.72608001       0.05183851      -0.74543424       0.09691684
Cl       6.07921002       2.61516997      11.32509999      -0.07977037       0.24273162      -0.36374254
Cl       9.73819997       9.99649996       9.06889996      -0.25794163       1.77085572      -0.20059898
Cl       0.53667500      12.47290004       0.12859396       0.29762653       0.39892148      -1.92247707
Cl       9.30486000       0.17281100       6.72470002      -0.19450364       0.07883654      -0.01854785
Cl       6.49275002       2.76132000       4.82261994       0.23351566       0.34143286       1.52923307
Cl       5.03292000       9.34950001       9.35122998       0.13263587       0.19258353      -0.53510576
Cl      10.17930000       2.85478001       8.96466001       0.55479164      -0.76934551      -0.46136417
Cl       5.89247995       9.22537996       4.71196006      -2.31377677       0.80015895       0.47595482
Cl      10.44769999       7.20272995       8.95634004       0.82835734      -0.40307703      -0.55965649
Cl      11.68280001       3.34056005      12.27460002       0.43460486       0.92674294      -0.48070489
Cl       1.34917995       8.75946002      10.51479995      -0.04145897       0.78589919       0.08412489
Cl       1.96324003       5.81683999       3.89288994       0.49986394       1.19738288       0.65084064
Cl      10.07890001       4.62343004       6.50204995       0.30414605       0.01434259      -0.67389112
Cl       8.41804005      11.12549999       4.12564996       2.60989152      -1.90705919      -1.39749454
Cl       3.52130997      12.18680000      10.66849996      -0.07250679       0.02928967      -0.16202057
Cl       3.14015004       1.05211003       5.72416005       1.26169189       2.29494232       2.44599733
Cl      11.68539998       5.48747001       2.80162001      -0.23139942      -0.25083672      -0.89317349
Cl       0.55547603       5.55067994       9.74468998      -1.08535646       0.08515698      -0.23631397
Cl       9.42604005       9.15825999      12.13240002       0.26227239      -1.22343829       0.83217266
Cl       6.01986998       6.91077003      11.19569998       1.07793965      -0.20573148       0.23313529
Cl       2.54977002       4.32623004       0.93723499       0.59939155      -0.05542203      -1.62718936
Cl       4.20314995       4.88824997       7.30082999       0.27844270       0.22308865      -1.05407885
Cl      12.65960004       0.10416300       3.98573996       0.02874727      -0.31815975       0.30904160
Cl       9.57295997       5.46674995      11.65730004      -0.53994379       0.14058985      -0.05839585
Cl       5.81022004      12.48580003       2.97321995       0.46332923       1.15512575      -0.08899548
Cl       7.81192998       6.94251004       1.93109998       0.05274034       0.31970743      -0.28340962
Cl       2.40442006      10.62859999       3.35807001       0.14196158      -0.69156190      -0.67028323
Cl       7.28141005      11.41839999      11.50869997      -2.93613336       0.94541131       0.21224909
Cl      12.41840004       8.88294002       0.94939403       1.41835747       0.02487364       0.00266394
72
Lattice="12.71225469 0.0 0.0 0.0 12.71225469 0.0 0.0 0.0 12.71225469" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.42834941 stress="-0.004057731273568213 0.0012522962537040163 -0.001074827679822302 0.0012522962537040163 -0.004108258948825126 0.0018923357516514826 -0.001074827679822302 0.0018923357516514826 -0.007194180167380458" free_energy=-251.42834941 pbc="T T T" config_type=melt 
Li       2.29607994       6.17743004      12.47330002       0.56363522      -1.51845098      -0.20840086
Li       5.26690996       6.81514995       3.31960001      -0.01758340       0.00405737       0.44400653
Li       7.54030997      10.80380000       1.57062996      -0.01237505      -0.02472124       0.63766511
Li       0.31598699      10.02370003       6.39985000       1.86403173      -1.44950775      -0.28211162
Li      12.35569997       6.02547003       8.35712001       0.79942171       0.48343915       0.36910767
Li       2.81515995       6.48737998       5.90949003       0.57935336       0.39149341       0.29426145
Li       4.98705006       9.73563996       6.64691000       0.71335350      -2.84473113       0.79488258
Li      10.00309995       5.72215996       5.76883999      -0.23101971       0.41760192      -0.88743541
Li       9.99186994       0.87232598       1.41771005       0.18298329       0.11988659       0.23821014
Li       3.87309005       1.32085996      12.49635370      -0.03384615      -0.02807176       0.98783437
Li       5.33971000       2.66400997       6.09178999       0.28751523      -0.27341974      -0.64621149
Li       9.38022006       6.41356004       1.83621006       0.67310166      -0.06233759       0.79695574
Li       4.02040996       9.63486000      11.85669999       0.04023855       0.59967771      -0.16853711
Li       4.95119006       3.97373005       9.73512003      -0.57748415      -0.94678721      -0.23174583
Li       8.17904001       8.83251994       5.03810997      -0.76740829      -0.71199327      -0.45030413
Li       0.96163897       7.42214003       3.20878004      -0.67046040      -0.08436922       0.19605145
Li       6.58336004       7.40821998      11.42910004       0.93887441      -0.16323447      -0.54634299
Li       0.78914296       1.72154006      11.64209997      -0.25371901       0.80033383       0.08190727
Li       4.52295005       0.27304004       9.45559000       0.39797766      -0.39675769      -0.58767479
Li       3.75095999      12.64858498       4.36385999      -0.29318831      -0.32853970       0.53822071
Li       3.82832003       9.52449996       2.21416001      -0.55811158      -0.25028445       0.20233248
Li      12.40719999       0.13501406       8.30110994      -0.13929951       0.84608998      -0.44660212
Li       9.25465006       9.10354000       8.43876001      -1.49846935       0.78409186      -0.94371137
Li       1.97142002       3.59720006       7.81210001       1.19706724      -0.26547134      -2.31077656
Li       6.39623997       2.62340995       2.75094005       0.27263843       0.40917275      -0.23982192
Li       0.68017097       1.21201001       4.45054994       0.65363464      -0.10316390       0.24819000
Li       2.05309994       9.08247999       9.48168000      -0.09868713       0.82319335       0.51061377
Li      11.71100001      11.29990006       3.17355997      -0.25546797       0.41842493      -0.29831639
Li       5.72653996       7.05844001       8.22357002      -0.84734405      -0.46554134      -0.87887321
Li      10.03970005       2.47925006       5.61036000      -0.24495545      -0.37723520       0.23792046
Li       2.65242999       3.77822002       3.04044996      -0.25127073      -0.46647546      -0.10868693
Li       8.32698001       3.61510997       8.11427997       0.25488403       0.04485474       1.12843965
Li       7.70375995       1.39998002      11.70169998       0.32258293      -1.24351143       2.37887996
Li       9.52818994       6.20874998      10.43199998      -0.38704005      -0.40235838       0.34964267
Li       9.48639002      11.89969996       7.40782006      -0.00229076       0.25601717       0.07181969
Li      12.36640000       8.02054005      12.42720005      -0.50128914      -0.11324068      -0.56095896
Cl       9.94998001       1.19712002       7.52427995       1.38183495       0.06313240       0.65353056
Cl       5.24241002       1.33437003       3.90644002       0.57172953      -0.33354240       0.73072703
Cl       9.60077997      11.56009995       3.43427001      -0.61560846       0.15381606      -1.18962578
Cl       5.91676004       7.62673004       5.90473997       0.03654400      -0.23577095      -0.65658409
Cl      10.35339998       7.84794005       9.46131001       0.84129772      -0.42413485       0.61241437
Cl       4.39887997      11.48200006       6.23595001      -0.81486915       2.54966904      -0.41527026
Cl       1.00451003       3.47665000       9.45733006      -1.47960714      -0.01827681       2.27550742
Cl       0.68087103       7.56040995       9.80892000      -0.66194902      -1.10971915       0.18063584
Cl      12.36590003      10.72039998       7.97354005      -1.22210601       1.22011824       3.24338805
Cl       1.76660996       8.09595004      12.60990273      -0.04848920       2.19359005       1.04732898
Cl      11.30620000       1.28556998      12.16269998       0.18643239      -0.28973565       0.12792843
Cl      11.81060002       7.10953997       1.62455000      -0.05822870      -0.14895554       0.61363278
Cl       6.66667006      11.55300003      12.47039998      -0.08253358       0.15570339      -0.22150590
Cl      12.65534854      10.11650000       4.55878996       0.21193191      -0.56760286      -2.34270403
Cl       7.92857999       1.79049997       1.27564005      -0.00720844       0.26615919      -0.08631324
Cl       7.71680005       2.77703005       6.34926997      -0.81778056       0.30731847      -1.42882045
Cl       8.66164995       6.37645996       3.96643995       0.15421223       0.18033998       0.35975108
Cl       6.78294002       8.71192997       8.70500001       1.05910055       1.51779719       1.10519085
Cl       3.83853001       1.98829998      10.50829995      -0.06229208       0.90403213      -0.31215457
Cl       0.77387605       5.92947001       5.43328999      -0.41630487      -0.09888166      -0.09263088
Cl       2.25560997       0.55837104       2.86719998      -0.63962820      -0.40136278      -0.34010241
Cl       4.61028997       7.68550998      12.06050006       0.40698725      -1.12272402       0.38542508
Cl       6.32611994       5.49150004       9.61824000       1.08268426       0.40160726       0.49008189
Cl       8.91746005       6.80230994      12.57370001      -0.84121553       0.14902958      -1.21667242
Cl       2.26227996       3.30555004       0.83752796      -0.08019706       0.11274027      -0.75245804
Cl      11.46600003       1.98042995       4.01221004      -0.51007454       0.19132210      -0.51838918
Cl       9.15820994      10.17679994       6.34425003       0.12912665      -0.65565733       0.33083303
Cl       3.10460998       8.40657996       7.88767004       0.96762849      -0.45248243      -1.41061547
Cl       5.78661999       9.15602000       2.84288995       1.47302061       0.37375756      -0.39536090
Cl       3.06629003       7.89059996       3.66704004      -0.20752874      -0.24279632      -0.05708480
Cl       1.75290996       1.68040994       6.41201995      -0.20555485      -0.26755030       0.13770171
Cl       7.47751995       2.15505998       9.97772006      -0.48039884       1.12181994      -2.36094976
Cl       4.74109005       4.26013994       3.11133006       0.60939274       1.39003001      -0.02888676
Cl       4.12390004       4.24090999       7.01190998      -0.28543340       0.48063160       0.52092539
Cl      10.60569997       5.04980995       7.65728000      -0.88737484      -0.96910328       0.26022866
Cl       3.72157002      11.38180003      10.65189999      -0.78752345      -0.27244895       0.04046778
72
Lattice="12.72071969 0.0 0.0 0.0 12.72071969 0.0 0.0 0.0 12.72071969" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.21869222 stress="-0.007962529607771943 0.0030591473975900875 0.0017219063080713755 0.0030591473975900875 -0.0015366921461946227 0.001516264579361412 0.0017219063080713755 0.001516264579361412 -0.0072756151467117955" free_energy=-250.21869222 pbc="T T T" config_type=melt 
Li       2.95688995       9.99870994       3.83576002      -0.24604191       0.09029786      -0.21787734
Li       7.70309999       2.30109996       5.27013998       0.02771537       0.22262246      -0.03136630
Li       9.62436995       0.18137902       1.35004006      -0.50938946      -0.85249173      -0.48106733
Li       4.38808998       7.12689006       2.74781004      -2.36290530      -0.55791272      -0.96906769
Li      12.64999999       3.46191995      11.83810006      -1.23876970      -1.08392381       1.51644600
Li       9.69324997       8.75283998       6.70173003      -0.59662235      -0.00149922       0.05863976
Li       7.27726003      11.93970007       4.12770995      -0.69500802      -0.79730105      -0.38708152
Li       1.26559000      10.13609995      12.64249998      -0.09699205      -0.36272021      -2.19853374
Li      10.16109998       3.80941999       1.29445000       0.24110648       0.11095700       0.20060249
Li       6.46529001       3.70837995       2.43923006      -2.22045961       0.11773638      -0.31099433
Li       2.83599999       4.12062006       3.73576003       0.57994988       1.11260330       0.17402330
Li       1.21156001       3.48276997       8.75551999       0.54675056      -0.81441886      -0.49000761
Li       9.71877003      10.54079998      10.22040003      -0.69630591       0.22541194       1.84830389
Li       3.14975005       2.23652005      11.94180000      -0.55479584      -0.00091964       0.21693174
Li       9.28133997       6.20752002       3.51112000       0.08668348      -0.45911488      -0.44465548
Li       2.12479994       6.79975996       9.96199998       1.49550781      -0.52139639      -1.08057128
Li       8.93824994       5.85279003      11.88280003       0.15470864      -0.18545674      -0.38515834
Li      11.68419996       2.83549994       4.47661996       0.09351753       0.11057399      -0.49832712
Li       3.72198997       7.26007002       7.32918996      -0.07475923      -0.09403538      -0.48785420
Li       2.28592999       0.72595201       5.91541006      -0.02508473       0.29158167      -0.64005576
Li       4.35556997       1.64424995       3.12114001      -0.24443960      -0.14260019       0.50222908
Li       9.95225006       0.49143002       6.77645001       0.80563298      -0.47111956       0.05616300
Li      11.46210001       7.80803003      11.58069999       2.05946606      -1.47384858       0.52245653
Li      10.66910001       5.97358000       7.39780997       0.36429143      -0.97951551       2.31606119
Li       9.37046998       2.88102002       9.68994996       0.18191341       0.36634380       0.02255225
Li       1.50690002      10.35279995       6.98816005      -1.05415617       4.01721170      -1.79694654
Li       0.20517605      12.69080005       1.89336998      -0.26214871       0.05027685       0.36833125
Li       4.13724998      11.52240004       0.61124699      -0.15448125      -0.12651956      -0.01786552
Li      10.03120006       8.91714996       1.61185995      -0.26279314       0.11420148       0.05461741
Li       6.95703004       6.36130003       5.37026006      -0.07220622       0.35018200       0.33685747
Li       4.02844000      10.34109994       9.11652002       0.03240587      -0.36314379      -1.39510233
Li       5.12272999       0.81718997       8.70041001      -0.52764686       0.03304669      -0.31236153
Li       6.58617997       1.10849000      12.37699999       0.68566826      -0.15671287      -1.05248260
Li       7.36124999       7.62586004       9.23804004      -1.30483097       0.72166314       0.03277900
Li       0.65054498       6.72039997       4.85159001      -0.60504230      -2.69894319       0.24659290
Li      11.14430005      10.70819994       4.11521999       2.17157582       0.92567124       0.16837737
Cl       6.13785003       7.06484997       3.42960996       3.06284038       0.29314467       1.31366899
Cl       1.20579995       8.52791998       4.66997998       0.40893691       3.10655558      -0.72920727
Cl       5.56408999       2.51838995       5.02114003      -0.17439426       0.13597032      -0.13870915
Cl      10.92879999       1.64419996       2.11085994       0.51235125       0.55335380      -0.00756985
Cl      11.26460002       5.05054995       3.36825996       1.83232545      -1.30259204       0.02458169
Cl       1.53558002       3.74182005      10.87320002       2.73149170       0.67364527      -0.93981486
Cl       7.47626005       7.88211995       7.06652999      -0.41333407       0.60905774      -1.09368604
Cl       7.99700001      11.76889998      12.45959995       0.32737659       0.37486553       0.22734783
Cl      10.15890006      10.63329996       8.31765004       0.55956124      -0.02018979      -2.40030942
Cl       8.76342998       0.42429096       4.97643001       0.17720692       0.40405130      -0.36920919
Cl      11.34870001      10.92110001       1.85991996       0.35711643       0.14494129      -1.15340000
Cl       5.74630005       1.77488004       1.47042005      -0.20926124      -0.12736155       0.27274141
Cl       4.64857000       1.03926003      10.90809995       0.45147589      -0.10632206      -0.14920899
Cl       3.81098006      10.43499997      11.12340003      -0.46593740       0.18087400       1.77344018
Cl       8.70935001       1.49391000       8.15725004      -0.40923501       0.28999711       0.01852415
Cl      10.17139995       6.44115995       5.58448003      -0.83756944       1.70256925      -0.65272228
Cl       9.75892997       6.48493004       1.29953995      -0.60279958       1.53438499      -0.52526709
Cl       8.01394006       2.92374001      11.31689999      -0.41528097       0.11102705       0.80335568
Cl       4.69305003      11.25370002       3.08811002       0.44064065       0.25129391      -0.10520053
Cl       4.20482003       4.94771006       2.00982003      -0.32174666      -0.21123626      -0.10124318
Cl       9.31588995      10.25230003       3.77439998      -3.07861224      -1.56237439       0.49424007
Cl       1.35885997       0.89333900       0.35574803       0.53733691       0.31416126      -0.74613032
Cl       2.44502002       1.54259995       7.84638999      -0.01661043       0.56538264       0.80604506
Cl       4.67251001       7.59105996       9.30617997       0.04223039      -0.29159668       0.14182121
Cl       0.87785101       7.64532999      11.19230003      -1.03810699       1.19127958       1.40882735
Cl       2.86080005       5.74993996       5.51834005      -0.03452562       0.04681808       0.07707916
Cl       9.77567998       8.53912006      11.14960001      -2.14883725       1.28651039       0.13954258
Cl       4.23384998      11.60779995       6.82858995      -0.31926740      -0.19297577       0.37475007
Cl       2.02216994       8.79694005       7.65029005       1.23320570      -4.03487985       2.55620203
Cl      12.28239994       0.69069196       5.21499006      -0.05947666      -0.62391957       0.46869978
Cl      10.98859997       4.62487002      11.83010000      -0.71909224       0.27780426      -0.19729344
Cl       8.37843995       3.82432995       2.78999996       1.25818596       0.16990313       0.93967582
Cl       2.15855997       2.18506995       3.64947004      -0.17728055      -1.16404210       0.16165838
Cl       1.71502994      10.37209996       1.78081006       1.07874680       0.15854942       1.87421788
Cl      12.30249995       4.31766006       7.73199002      -0.75953279       0.49871204      -0.41529454
Cl       8.83296996       6.27936995       9.25239003       1.46785739      -1.95415020       0.40325877
72
Lattice="12.69016392 0.0 0.0 0.0 12.69016392 0.0 0.0 0.0 12.69016392" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.72072683 stress="0.00108615973258371 -0.0010010514129204801 -6.247567134640841e-05 -0.0010010514129204801 -0.007690543876397077 -0.003202030308892147 -6.247567134640841e-05 -0.003202030308892147 -0.002497043239841039" free_energy=-252.72072683 pbc="T T T" config_type=melt 
Li      12.58270006       5.70124002       3.23132004      -0.03241968       0.07986964       0.58453560
Li       7.50004005       4.25979996       2.09435001       0.23339630       0.36731972       0.20256060
Li       0.22368800       1.42001995       0.86576004      -0.26756138       0.21162668       0.36092025
Li       1.06157003       1.22032994       9.94104003       0.45522665      -0.04900533      -0.01269019
Li       9.99376005      12.01380001       0.48855494       0.16784020      -0.16907306      -0.24557323
Li       0.53953894       9.15446002       9.32485998      -0.04407784       0.00175745      -0.05638818
Li       8.98678006       8.31644004       3.00878000       1.73940573      -0.78498509      -0.93463104
Li       4.82464994       3.91796996       8.75574002      -0.11056762      -0.09749040      -0.25930761
Li       7.58669001       2.59243996       5.92689004      -0.38703972      -0.07920385      -0.40696669
Li      11.94109996       9.95698002       2.64859000      -0.20191356       0.01948539       0.24456326
Li       6.68103996       1.35391004      10.60780002      -0.35233174      -0.72964042       0.30265521
Li       2.77841000      10.54820004       4.47939005       0.03731074      -1.56164858      -0.69688658
Li       9.96871004       2.11638001      11.04400004      -0.13310878       0.21794368       0.33774356
Li       0.02630747       7.54858005       6.03886995       0.18602788       0.06778702      -0.07839059
Li       6.80273001      10.01120001       0.99805601       0.53674560       0.40834050       1.12969308
Li       1.85640004       6.14231002       8.53945000       0.37873963      -0.28765838       0.17747382
Li       3.46552006       9.89679996       0.54854300      -0.45659023       0.32556784      -3.05529244
Li      11.25169996       0.22321097       8.44626004      -0.35640440      -1.23414031      -0.70347066
Li       2.37181004       3.59468994      11.87600006       0.73389182       2.48475925      -0.25637354
Li       8.23331998       7.62151004       6.61297005       0.03827742       0.39916305      -0.13285041
Li       2.72552996       4.22282996       3.10815997      -0.09103024      -0.09233062       0.61595533
Li       9.83445001       5.57856002       8.91406999       0.20720087      -0.16713894       0.34012747
Li       4.13858999       1.20278998       7.29111997      -0.03043955      -0.45706148      -0.92689126
Li       3.86137996       0.60074601      12.56240392      -0.54115200       0.12561541       0.17014165
Li       0.98565595      12.54090005       6.47214997      -0.15136536      -1.55092389       0.60862263
Li       6.36615994       0.40602103       2.36598005      -0.53605588      -0.14011521      -0.20588320
Li       7.85011002      11.24850001       5.14459004      -0.69565995       0.92290555      -0.83594097
Li      10.43060003       1.54068006       3.04219003      -0.37414649      -0.12063007      -0.31992093
Li      10.61079998       6.19804002      12.16899995      -0.26779755      -0.04440773       0.48526656
Li       5.42542997       5.03620995       5.42648998      -0.48929660      -0.41933933       0.85890053
Li       0.10763594       2.93067001       5.62540005       0.84272244       1.37002035      -0.84124811
Li       1.19174002       7.19071997      12.67600005       0.87560897       0.19848653      -0.52601622
Li       8.96500006       9.44195999      10.34299996      -0.10894841       0.48832093      -0.02626837
Li       4.98057005       6.94499004       1.79517000      -0.14285696      -0.02049347       0.23786163
Li       7.21575994       5.31851001      11.14839999       0.53173790       0.15099188       0.01628003
Li       4.26057000       7.97320004      10.44179999      -0.27957216       0.80724248       0.75837388
Cl       1.63487001       5.29594004      10.65980000       0.02332191      -0.12358253       0.40409544
Cl       1.92762004       8.97242000      11.10769997       0.24978775       0.00926230      -0.19042495
Cl      12.28110004       1.27948996       6.64063004      -1.46942967       0.19095471       0.24621407
Cl       1.46618994       5.38251006       5.21607006      -0.24191450       0.75529082       0.33644084
Cl       3.81495997       1.79327003       9.25778003      -0.70053890      -0.32169452       1.80135283
Cl      12.51640004       7.04573002       8.62920994      -0.50527105       0.23534428      -0.66564696
Cl       0.76328899       3.00856998       3.47246996      -0.80606475      -0.48241844      -0.88734254
Cl       4.10102000       3.24381998       6.55789004      -0.06605070       1.71427671      -0.65635614
Cl       4.32236006      10.90000006       1.88727001       1.37118981       2.50874116       2.69822417
Cl       3.00385000       8.23072002       1.36236003      -0.75065725      -3.41816716       1.37702657
Cl      11.23820003       7.75279994       4.33266003      -0.62768190      -0.47097266      -0.64151355
Cl      12.63670001      11.14720001       8.54862004       0.24432219       0.36319875       0.10147912
Cl       9.58272005       4.52052001      11.09279994       0.57012538      -0.30587550      -0.75790602
Cl       8.80117994      10.00100004       6.38915998       1.21580727      -0.77835089       2.47203283
Cl       4.65185001       6.38958002       9.13323001       0.06482984      -0.60203234      -0.49818429
Cl       0.92004704       9.57328999       5.43406994       0.36438005      -0.12757375      -0.09246921
Cl      12.32119994      12.28559997       1.87238001       0.02355043      -0.48083009       0.45751625
Cl       5.95109996       0.48073602       0.09631048       0.88977599       0.36494683      -0.38908821
Cl       9.94270003       9.95166995       1.25891997      -0.26053202      -0.78107871       0.29050731
Cl       8.73919001       7.43602997       9.32933999      -0.23944894       0.07198695      -0.18664663
Cl       3.38834001       3.55840001       1.16042996       0.81783033       0.62979460       0.11269249
Cl       9.10139000      11.69060006      10.95130005      -0.09424909      -0.02027460      -0.26022481
Cl       7.57619004       9.23485995       3.98869999      -2.37877999       0.15327497      -0.82126707
Cl       8.00902006       0.44955997       3.67261999       0.15011943      -2.35350893       0.32162301
Cl       7.52782998       5.08007997       6.01919995       0.69976441       0.34559431       0.93420974
Cl       5.67269997       5.13681998       3.34582999      -0.40654914       0.50553728      -1.47852393
Cl       6.82713002       3.36571002       9.93176999      -0.05047911       0.48091574      -0.15586873
Cl      11.62320006       1.80122994       9.65941001       0.20450670       1.17266888       0.95056945
Cl      12.21059996       6.51309998       1.14050995      -0.38675260      -0.15815555      -0.15047508
Cl       5.68299994       9.44138995      12.09500005      -0.51131730      -0.97281862      -1.56450075
Cl       2.52021998      12.34720006       5.20677997       1.33366438       2.13662253      -0.00839634
Cl      10.02670003       1.50919005       0.51367195       0.13271395       0.74254073       0.22477875
Cl       8.31262995       6.39452995       0.55254801      -0.66272071      -0.00722663       0.35197012
Cl       1.88378999       1.75791003      12.11480001      -1.24517272      -3.28497660      -0.52818728
Cl       6.11325995       0.80069198       6.56564005       1.28284521      -0.36969284      -0.07573626
Cl       8.68763000       3.02183006       3.52780999       0.85127930       2.03636159       0.01734088
72
Lattice="12.69946533 0.0 0.0 0.0 12.69946533 0.0 0.0 0.0 12.69946533" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.0451303 stress="-0.0013221618094403792 -0.0008343981010860597 7.227462846273485e-05 -0.0008343981010860597 -0.006171022652336034 1.5801478857779624e-05 7.227462846273485e-05 1.5801478857779624e-05 -0.012165593797185436" free_energy=-251.0451303 pbc="T T T" config_type=melt 
Li      12.29909995       2.40150001      11.65600005      -0.35303836       0.28420126      -0.16043609
Li       5.74237997      11.97629999      11.91879999      -0.31634282       0.26637216       0.32569683
Li       3.09536006      10.08880005       0.72778604      -0.51161346      -0.09356832      -0.47218853
Li      10.04260003       9.01585994      10.13510001       1.74961018      -0.04518386      -0.49187695
Li      12.58799996       8.70953004       2.24566004      -1.13364352      -4.27343635       0.60912152
Li       3.56571003       7.85799000       3.44432994      -1.25204035      -1.18737434      -0.03256837
Li       9.27069998       7.64353997       6.26310999       1.05563846       0.88096953       0.65418761
Li       0.86355399       7.82414999       6.07430006      -0.07033737      -0.02215275      -0.96369801
Li      10.63109998       2.20177996       4.10042000      -0.17049635       1.18564610       0.87121324
Li       1.88282006       1.72812000       6.19880003       0.65868716       2.66618307      -1.82300419
Li      10.21799996       2.44829995       7.53329997       1.31359076       1.41068180       1.77160575
Li       5.44367001       4.52970003       1.74013001       0.22461780       0.09665396      -0.26425776
Li       1.32715000       1.00395001       3.28305003       0.61422177      -0.81558273      -0.82700955
Li       7.52658996       2.98995996      12.17229998       0.25118805       0.36387747       0.24365893
Li       8.97629996      11.22899995       7.06841001      -0.02918976       0.19031433      -0.19559583
Li       1.11416003       8.03612997       9.82661006      -0.23610087       0.55608241       0.54421033
Li       4.40083005       1.47412003       2.22540998      -0.04441773       0.04456238      -0.03937045
Li       5.63130004       1.33539996       8.41123001      -0.27137876      -1.10372301       0.98413741
Li       0.63958101       4.46351994       9.01273003      -2.00137843       1.32156521      -1.20252167
Li       7.34006999       6.81858994       9.19237006       0.05479715       0.03104502       0.24852822
Li       1.11993994       6.29182006       0.38241405      -1.23622657      -0.78768661      -0.73038046
Li       6.75316001       9.06067000       5.19424997       0.11386520       0.26941815       0.33890975
Li       0.24130699       0.47785294       8.88670003      -1.06552263       0.28357489       0.60669881
Li       3.10869005      11.75880006       9.79280002      -0.87610779      -0.07094682       0.04570172
Li       3.92392994       4.63601995       7.55250004      -0.06015382      -0.19999166      -0.28222372
Li      10.19950002      10.04220000       3.29518996       0.17628395      -0.02867429       1.02235270
Li       9.07352999       8.05218997       0.52985001       0.83166154      -0.39564625       0.94825642
Li       9.21431995       5.53432006       3.25717004       1.08977703       0.14504440      -1.12206353
Li      12.26080002      11.48019995       0.69265195      -1.36378224       1.61220840      -2.56028137
Li       7.13925004       3.93620995       5.15136997       0.31528088      -0.23229026       0.34302203
Li       1.84509998       4.31514002       3.58905000      -0.26633146       0.49956079       0.87556852
Li       4.41970996      11.43010005       4.84594999       0.52718032      -0.82267163       0.02186296
Li       8.83911005      12.30179999       2.16142995      -0.13023263       0.04830074      -0.18577396
Li       3.43515000       3.19055005      11.18959999      -0.42097702      -0.40384087      -0.03042911
Li      10.60699995       5.55672001      11.02280001      -0.58528292      -1.55021190      -0.53037296
Li       5.92263999       9.87857005       8.58884994      -0.46407416      -0.99565459       0.93273010
Cl       8.62681995       4.83318995      10.88940000      -1.90119325       0.03256308       0.11986996
Cl      12.68479999       0.38344105      11.14610000       0.20595035      -0.71778620       0.78120882
Cl       0.00277217       7.83080006       7.95339003      -0.21689955      -0.06902073       0.78943443
Cl       4.94900996       9.19275003       3.95335003       0.85299448       1.32022715       0.26416830
Cl       9.13249996       2.49066994       5.98170000      -1.62278183       0.29683054      -2.79247457
Cl       8.28837996      10.81320003       4.59438006       0.46164367      -0.32974748      -0.35097366
Cl       2.14095003       7.51839995       1.65469004       0.81035285       0.76368876       0.42853515
Cl      11.31170002       8.49645003       4.57528997       0.09521875       0.59410321       0.88916614
Cl       3.44882999       0.44833596       4.21926998      -0.56586401       0.94461111       0.26397446
Cl       1.98288004       3.38440002       8.08897003       1.93363116      -0.37115797      -1.56116286
Cl       8.68319999       8.62873998       8.51369997       0.08261664      -0.06560072      -2.26454015
Cl       7.05314995       0.79162104       0.29813468       0.54845495      -0.13887535       0.18110485
Cl       4.69710006      10.56820004      10.51000004       1.85718905      -0.75030533      -0.32641147
Cl       0.84519806       4.00587998      10.87889995       1.92068759       0.17826220       3.58164569
Cl       5.53813003       2.92352994       7.19633998      -0.03142979       1.40892364      -0.76106260
Cl       1.91182996       9.98464005      11.21020005      -0.96138118      -0.55294320       0.08367473
Cl       5.24312005       3.65716002      12.46990002      -0.11858513       0.23276554      -0.37969098
Cl       8.82332995       4.18273006       1.69706003      -0.59365751      -0.64104882      -0.26548430
Cl       4.15227001      11.88210006       1.41050002       0.19923977      -0.00074381      -0.45840328
Cl       8.61952004       6.07679995       5.11918000      -1.29529066      -0.41016613       0.73406045
Cl       2.60191002       6.66097002       5.17331998      -0.08235901      -0.46003865      -0.13999800
Cl       0.51718001       2.45617997       4.43003996      -0.84622536       1.26131925       1.22836904
Cl      11.25780006       6.53603001       2.27865998       0.13595483      -0.12007607      -0.78240034
Cl       2.36550998       3.22825006       1.90884000       0.44033600      -0.55135989      -1.09734804
Cl       3.91986002       1.00116006      10.32410006       0.52751833       0.89033925      -0.18689135
Cl      10.81259998       0.49436098       3.07381999      -0.00723991      -1.40744333      -1.10186062
Cl      11.09049997       4.12019002       9.33632003       0.00215653      -0.24619176      -1.29459496
Cl       5.31812005       7.71199999       7.72185999       0.41517895      -0.31937204       0.26464652
Cl       9.75991996      10.20690000       1.22777999      -0.16097886       0.38933717      -0.39352377
Cl       8.56725996       8.63511003      11.35970006      -2.30752700      -0.09623960       0.92301821
Cl       1.56919000       0.29553002       7.31708002       0.12367181      -3.47849330       1.48870390
Cl      11.60540004       7.17574005      11.43250000       1.81477459       2.04758831       0.40480494
Cl       0.31473402      10.47929997       2.08279994       2.56066628       2.37306903       1.85602731
Cl       5.47533003       3.69746000       3.66734004      -0.18339426      -0.20704071       0.35966846
Cl      10.56200003       0.83452505       8.63510000       0.12753588      -2.05297990       0.43917985
Cl       6.69241999      11.15469995       7.18864004      -0.33869635       1.12537695      -0.39785062
72
Lattice="12.62947036 0.0 0.0 0.0 12.62947036 0.0 0.0 0.0 12.62947036" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.05207436 stress="-0.004201968436312861 -0.0008628219523698595 -0.0015385435088730514 -0.0008628219523698595 -0.0021811943106840774 -0.0010417609571450315 -0.0015385435088730514 -0.0010417609571450315 -0.007173251756888949" free_energy=-253.05207436 pbc="T T T" config_type=melt 
Li       5.58982000       3.16335004       2.62248994      -0.44206849      -0.27888403       0.79232297
Li       1.30469994       2.98020997       4.91644998       0.39658183      -0.19625343      -0.04534208
Li       4.98115998       6.84258996       9.95080996      -1.25853352       0.52598892      -0.66173837
Li       1.88682001       3.46494003       9.48104999      -0.25808322       0.13588463      -0.73538820
Li       3.57901004      12.24629993      12.27829998      -0.80402599       0.08334752       0.18675003
Li       2.57687002      10.90619997       3.81573999      -0.43073252       0.53081005       0.44231211
Li       7.95143005       1.65008994       8.97429995       0.37511805      -0.34236050      -0.49214217
Li       5.39815996       4.16951002      11.85900005      -1.45379154       0.05956536      -1.54062099
Li       8.67953998       4.74628997      10.58730003       0.71022124       1.57028134      -0.19124421
Li      11.44030002       7.27318998      10.32080002       0.14256519      -1.40384443      -0.47902535
Li      10.07509999       8.45342005       3.82528003       0.30951742       0.27020848      -0.74589730
Li       1.14084001       0.01857214       7.33718995       0.44491182       0.72475720       0.15071373
Li      11.85090001       0.47009301       3.32507003       0.45039504       0.02531516      -0.62848541
Li       1.45620003       5.10623000      12.25279994       0.30732310       0.03779890      -0.45379929
Li       8.79940994       7.04263003       0.46464402      -0.38543463      -1.21622875      -0.84297242
Li       5.88861003      11.77180000       3.68718006      -4.71193811      -0.99426979       0.84375762
Li       9.55752005      10.89610005      11.31210003      -0.03251707      -0.15754325       0.43578894
Li       8.04368997       1.46905001      12.30309997      -0.04247384      -0.87338969       0.57888435
Li       4.83621003       8.83358996       6.74117000       0.04221952       0.27658069       0.21077743
Li       4.75013994       1.68853998       6.16386997      -0.41859368      -0.30444768      -0.09586606
Li       5.72357001      11.29820004       8.97638002      -0.26989861      -0.21123944       0.12673396
Li       9.20237997       2.62546999       5.80585997      -1.20033507      -0.65273435      -2.63083401
Li       9.48854003       5.89034999       6.24470994       0.15521419       0.01901688       0.87732756
Li       1.33958001       6.70491004       2.96847997      -1.06481519       0.30483076       0.83175287
Li       1.93836997       9.71640005       9.29621997       1.47165748      -1.06635704       1.45696237
Li      12.60279995      12.14130003      10.51189995      -0.19326340      -0.28386871      -0.20962353
Li       8.72428998      10.67730004       6.96170001       0.23420528       0.20835297      -0.12844561
Li       6.10119003      10.05919999       0.19172698      -0.01270571      -1.10196799       0.54494918
Li      11.01620000       2.17530995       8.90801998      -0.46323181      -0.43623615       0.84382462
Li       8.68236999      11.20410000       2.08122002       1.36557987      -1.00230576      -0.69896915
Li       3.87594998       4.88308999       6.64153005      -0.02929015       0.06103948       0.19862486
Li      11.79480003       9.62414000       0.77712200      -0.19650336       0.12029448      -0.61769194
Li       0.22242960       9.97369999       5.47070995       0.18230617       0.06498986       0.23599967
Li      11.61970000       4.23438003       3.46191994      -0.43100508      -0.10178359      -0.42432350
Li       3.95760001       7.92639995       2.19636000       0.77967034       0.35272716      -0.44850974
Li       7.83626999       7.66916997       9.20255994       1.56447713       1.84832770      -2.65277987
Cl       7.98265995       2.80508998      10.66999995      -0.55994735       0.12664560       0.22987035
Cl       5.27422002      11.40940000      11.44390005      -0.72216565       1.44103113      -0.77569726
Cl       9.83567996      12.59010632      10.02719994       0.45082576       0.47209500       0.10561760
Cl       9.81657006       3.00354001       7.51987006       0.35357858       1.35034818       1.95834298
Cl       1.84052000       5.76845994       9.92267996      -0.33610469       0.20917248       0.51860082
Cl       1.23716006      10.38479999      11.42100004       0.41780330       0.38694508       0.47141764
Cl       0.61378999       5.09933999       4.43097996       0.77406254       1.42664981       1.07699930
Cl       4.03547004      10.52589997       2.36307001       0.75621419      -0.32864567      -0.70294175
Cl       6.08718004       7.41504002       1.17075001      -0.42178650       0.45820491       0.05017313
Cl      10.76409999       9.03252004      11.04220004      -0.43633980       1.11127736       0.34861578
Cl      12.38959997       8.82213996       2.70991000       0.50288966      -0.62267908       0.84759502
Cl       4.27531997       1.37876004       3.69217994      -0.00867523      -0.89584309      -0.50976710
Cl       6.95929005       6.63132999      10.46460005      -0.26360874      -2.96075583       3.02415096
Cl       4.43524001      12.23599997       7.36249006       0.03303851       0.11774279      -0.09268966
Cl       4.65955999       6.81666001       7.62551002      -0.33663721      -0.93976491      -0.38784942
Cl       7.84095994      11.42279999       0.14122968       0.69218938       0.89555436      -0.50608203
Cl       6.56382004       3.87537003       0.75600199       1.21491943      -0.60258995       1.68669656
Cl       0.74538402      10.77789996       8.21295001      -1.67203751       0.36510152      -1.19234319
Cl       0.31162700       2.75142004       2.61930997      -0.28702601      -1.44720674      -0.26131514
Cl       7.33399002       8.95960998       6.88148001      -0.11343644      -0.11127868       0.10347932
Cl       0.24187494       1.42597998       9.14399001       1.32388869      -0.23525070       0.27957223
Cl       9.67893005       4.53635003       4.47097004      -0.50044106      -0.01949411      -0.12135409
Cl       9.86277005       6.13860004       8.76816994      -0.27732307       0.39066721      -0.84138569
Cl       9.13230005       8.77786003       1.40085997       0.67662062       1.08973376       1.66372894
Cl       3.05622006       2.83741006      11.12060000       0.91251828      -0.13621561       1.18135325
Cl      10.56759995       5.62517999      11.84500003      -0.19989458      -0.16216940       0.67424765
Cl      11.24110005      11.80860000       1.17388995      -0.19312438       0.53401887       0.54579729
Cl       0.59376495      12.57104921       5.18200000      -0.27187349      -0.03329143      -0.75491249
Cl       5.19533003       3.70959004       5.29901003       0.98295457       0.91168857      -0.07358627
Cl       2.52881994       6.41684003       1.32061004       0.32796821      -0.31118045      -0.78031578
Cl      10.63269995       9.39758005       5.76293998      -0.21355855       0.06076749       0.13224973
Cl       8.08726998       0.30324899       7.40619005      -0.51018758      -0.98427781      -1.27920936
Cl       2.65715001       9.54916995       5.52025006      -0.02108766      -0.51782577       0.03421614
Cl       7.54002998      12.32420432       3.29189999       3.65701998       2.15847279       0.25440364
Cl       5.18344999       9.08203994       9.71803998      -0.30620955       0.21667898      -0.53511841
Cl       2.60110004       2.99681002       7.24666999      -0.25774932      -0.01072962      -0.40634379
72
Lattice="12.61698348 0.0 0.0 0.0 12.61698348 0.0 0.0 0.0 12.61698348" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.05613857 stress="-0.004258341447145401 0.004620346242665633 -0.0008893896724622585 0.004620346242665633 -0.016549555158756692 0.004034519188510182 -0.0008893896724622585 0.004034519188510182 -0.0031335523904306873" free_energy=-253.05613857 pbc="T T T" config_type=melt 
Li       6.91569997       2.63685000       2.72547005       0.46993123      -1.36565703       0.55808348
Li       4.81793998       4.42560996       7.36065997      -0.98796790      -1.63053163       0.28494516
Li       3.88259001       4.69081000       3.09106002       0.12739936       0.21691362      -0.80800019
Li       3.09740005       9.52993995       5.80810003      -0.26429647      -0.06087617      -0.02270597
Li       8.30896002       1.31072000      11.62160000       0.02420385      -0.07072431      -0.33531708
Li       2.54011004      10.48099997      10.20020004      -0.31592523       0.26787469      -0.11657605
Li      12.20089997       3.64382003      11.65309994      -0.57738319       0.35868702       0.45184807
Li      11.08540003       8.37332998       4.99613999      -0.03074500      -0.21080594       0.53452402
Li       7.69579998       4.71248005       5.95394996      -0.22714137       0.10029903       0.27352894
Li      10.21659998       2.78147999       7.98922004       0.25786700       0.47347630      -0.06675698
Li       5.17731003       3.17891005      12.31260002      -0.92819233       2.94123733       0.20076350
Li       9.24337003      11.87209999       8.22440995       1.06620673      -0.06916158       1.44795144
Li       1.62180005       1.83789996       1.08588005       0.26293212       0.11391747      -0.27924409
Li       0.74261798       4.03481000       5.55168003       0.23877674      -0.32516970       0.67671073
Li      10.29029994       0.27109797       1.63247995       0.30165384      -0.39648381      -0.17504763
Li      11.03379998       6.21633994       7.89897000      -0.23073131      -0.80461488       0.50768785
Li      10.63569996       3.23286002       2.92148006      -0.07793151      -0.10534006      -0.39275883
Li       0.00190226       0.34577297      10.25550003      -0.29832543      -0.73519925      -0.26768062
Li       0.02241647      10.48579997       1.41603005      -0.53539948       0.24849688      -0.43254987
Li       3.89472994       1.85874006       5.26537998       0.22018347      -1.43862877      -0.36695792
Li       6.96853005       1.27481004       7.54803996      -0.59476371       1.67275901       1.05733984
Li       6.15192002      11.36139995       4.47299998       0.73670898      -0.08557178       0.09018499
Li       7.83833001       6.98434002       8.75764998      -0.26614293      -0.47383446      -0.05640510
Li      10.75429998      10.07330006      11.46269995      -0.11784825       0.07155267       0.22550756
Li      12.48729994       6.10828999       2.57532000       0.33899873       1.51375721      -1.64326745
Li      10.15359997       6.76342004      12.45759048      -0.43349345       0.80691423      -0.69308519
Li       9.16984002       8.94611995       2.71124995       0.23905576      -0.25187963      -2.45905945
Li       3.93839001       7.78303002       0.68762194      -0.29194230      -3.12401343       0.56653796
Li       1.77306002       1.01692004       7.48346006      -1.85801131       0.95963186      -1.65575278
Li       0.52489099      11.92100001       4.67991006      -0.65124504      -0.11538701      -0.02216886
Li       6.27800999       7.86016004       4.71237999      -2.11448824       1.77385531      -1.37863788
Li       7.36573995       9.50006004      10.75460001       0.60171843       0.24554849       0.31212672
Li       3.18372999       2.22285006      10.33290005      -0.25622954      -0.33424237       0.33051554
Li       9.49867002      12.03279999       4.82245005       0.00309127      -0.95600823       0.65591696
Li       3.49370997      11.10360003       2.68199003      -0.25957801      -0.30667254      -0.28699350
Li      12.37160006       9.98251998       7.67686996      -0.02911573      -0.01364954      -0.26957038
Cl       4.72963006       2.66217001       9.02529001       1.10870217       0.94467216      -0.92940241
Cl      10.70550001       7.80974005       3.00216996       1.84366773      -1.70135626      -0.32010547
Cl      12.44229996       4.31241998       7.78389996      -0.10027784      -0.67394362      -0.05217248
Cl      11.38720004      12.34070006       7.73466004       0.94424920       0.68229592       1.28583843
Cl       3.56147996       3.86724006       5.20074002      -0.34452117       1.30734665       0.10709335
Cl       7.67031002       6.98399002       5.55420002       3.61446598      -0.69218370      -0.42384719
Cl       2.83267997       0.26154994       8.83223995       1.14640355      -1.41926521       2.46038887
Cl       0.22661654      10.92479996      11.69380006       0.88287756       0.36561303      -0.77773196
Cl       9.07029000      11.26620002      10.59100000      -0.82177762      -0.29069742      -0.21499514
Cl       8.21022998       9.98228001       3.90773995      -2.31446282       2.31280211       2.30949395
Cl      12.04999996       7.70125998       6.94503004       0.66697627       0.62519879      -0.27455961
Cl      10.18589995      10.47270001       1.10466005       0.11581228       0.31299742       0.15607459
Cl       7.68065998       7.31681002      11.05230001      -0.75806698       0.10544315      -0.05457518
Cl       8.99977002       5.25032994       7.85582005       0.58159399      -0.75871615       0.33133933
Cl      11.34829999      10.42849994       5.56438003      -0.09883153       0.75419165      -0.87743912
Cl       1.02777001       2.17504998      10.89959994      -0.71007180       0.13733471       0.26241644
Cl      12.10459996       4.81033005       3.98753000      -0.51458479      -1.66985842       1.35780177
Cl      10.67929996       8.07074001      10.62399998       0.66732735      -0.57433782      -0.22458209
Cl       9.75734001       2.17767999       0.54688895       0.38561973      -0.01714219      -0.46592901
Cl       1.15961004       1.27126997       5.39378996       0.52760384       0.65383635       0.11643317
Cl       4.73475003       0.20727799       3.58844005      -0.20964117       0.93603863       0.05651757
Cl       6.18112998       1.64671001      12.30029997       1.92604040      -3.28824363      -0.05610874
Cl       1.19195999      10.49620003       3.20669000       1.47012919      -1.55746524       0.75037185
Cl       9.28153994       1.04524996       3.48985006       0.14115071       0.74675068      -0.10345563
Cl       3.98314005       9.61577001       0.44433004       0.11838648       3.47684899      -0.69919537
Cl       2.31293002       9.97981995       7.80812999      -0.32056352      -0.44172171       0.17553366
Cl       5.89647998       6.04504004       7.34478995      -0.64549755       0.89748688       1.32590404
Cl       4.64112999       9.70410000       4.22683002       0.08852771      -0.98853781       0.30125231
Cl       7.81994996      12.25259995       6.88149003      -0.59477118      -2.44598271      -2.10064840
Cl       3.18817004       3.40550994       0.35543102      -0.84895503      -0.13044883       0.37687059
Cl       8.88453002       1.50379997       9.19314005      -0.21699922       0.76963462       0.35704689
Cl       6.30419995       4.35741996       1.88013001      -0.77940347       1.24912209      -0.03690281
Cl       2.43704997       6.53043003       1.79143994      -0.02296471      -0.36261810       0.54220861
Cl       0.37217300       0.37198198       2.09158006      -0.73979025       1.16255233      -0.50528476
Cl      10.87479999       5.16593998       0.97468696       0.80172701      -0.75149446      -0.23541274
Cl       7.14775998       2.30643997       5.58189001      -0.53191032       1.43337813      -0.36587419
72
Lattice="12.57731599 0.0 0.0 0.0 12.57731599 0.0 0.0 0.0 12.57731599" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.74051443 stress="-0.010122306360894315 -0.00035583556307002635 -0.001974139978662707 -0.00035583556307002635 -0.012126955622594492 -0.0002755580341570292 -0.001974139978662707 -0.0002755580341570292 -0.012404713514091992" free_energy=-250.74051443 pbc="T T T" config_type=melt 
Li       1.47497996       0.67546903      10.75999998      -0.69396980      -0.84911402      -0.09973169
Li      12.11250002       5.83755004       1.48404002       0.10899551      -0.92655546      -1.24248623
Li       6.98485004       9.85058004       0.79592098       0.57926694       0.03094624       0.54227581
Li       9.78687003       0.90378605       9.63526004       1.77052823      -0.90947610      -0.19183389
Li       2.89262005       3.58740004       0.23474906       0.35524472       0.86255594       1.24373230
Li      11.34360002       1.19043994       1.01977004       1.41716206       1.10887363       0.41709110
Li       0.34104700       4.99601001       4.92025004       1.07640738       2.17933353      -0.28443809
Li       4.32940999       2.51330003      10.13570000       0.67841715      -0.31900811      -0.41801682
Li       4.49408995       9.78872002       4.50807001       0.37187282       0.17469876      -0.20772567
Li      12.45090000      10.38919995       8.39385996      -0.58519962       1.23291908       0.75584734
Li       8.10250996      12.25480003       3.84471998       0.33857103      -0.99899617       0.12958699
Li       9.22666002       2.64726995       4.73214005       0.49005902       0.29431491       0.14341504
Li       6.64488003       7.47602995       8.94391995      -3.78737250       3.39683662      -2.36188291
Li       1.45708998       2.23757998       3.31022002       0.02984898      -0.05648504       0.09027974
Li       6.56830003      12.08790005      10.13550002       0.10172722      -0.00146998      -0.49626359
Li       6.92214998       2.58840006       7.80434997      -0.93777618       0.41975165      -0.30715034
Li       7.07416005       4.48229004      11.01469994      -1.09183058      -0.96122315      -1.74450057
Li       1.61688000       8.24059002       5.36103000      -0.49853280      -1.67262125       1.43004991
Li       4.89605003       1.42308004       4.08544000       0.73050890       0.05055524       0.48797905
Li       1.53593994       7.07275001       9.32288001       0.41989810      -0.26263587      -1.34539688
Li      12.31190003       0.69237596       5.49235995       0.24843538       0.32475099       0.29800151
Li       4.39359996       5.75255003       7.38913000      -0.04036886       0.07534567       0.44501959
Li       3.83106995       0.11538996       7.13955002       0.31897036       0.05181538       0.18443044
Li       9.00433999       4.07760005       1.50881998       0.54901687       1.52848128      -1.08863324
Li       1.77795002       8.36075005       0.64528096      -0.11710601       0.70048848       0.14152064
Li      11.19760002       4.57221005      11.35670005      -0.03726570       0.70045548      -2.68507971
Li       3.52457006       9.42773005      10.64020004      -0.11711001       0.27424706       0.24408500
Li       0.60778798      11.29049998       2.81484998       0.75835790      -0.66918345       1.89670222
Li       4.07924995      12.09300003       0.45848606       0.04159335       0.09224446       0.04661485
Li       7.32193003      10.11970002       6.91793004       0.17445962      -0.10900407       0.01144530
Li       7.33864000       6.09514995       5.49898002       1.04197826      -0.69250683      -0.86325776
Li      10.25919994      10.88990001      11.86599997      -0.23235332      -0.07109093       0.71831523
Li      10.47990001       8.19726004       5.71452000       0.99386571      -1.84635628      -0.20201988
Li       7.81457998       1.39512997       1.11890004      -1.13351896      -1.36731226      -1.78816224
Li       9.33069002       8.64482999       2.94390997      -0.53352068       0.81044518      -0.43824051
Li       9.17168998       7.63241994      11.36810000      -0.07750399      -1.06521534      -0.47162650
Cl       6.52647001       0.39608798       2.71725994      -0.85819450       0.19413040      -0.07602398
Cl      11.11409998       0.93698099       7.46352005      -0.13344217      -0.20302312      -0.19091785
Cl       9.74401006       0.26709905       0.42026598      -2.14245515      -1.45446045      -0.95912787
Cl      11.40710000      11.82219997      10.40839998       0.99201891       0.08409268      -1.09072457
Cl       8.06297002       1.80449004       9.30035995      -0.66149197       0.24234506       0.48891506
Cl      11.25909995       6.45276996      11.96829996       0.39321137       1.83644504       0.18767461
Cl       0.98190502      11.11630000       0.93866597       0.72072233      -0.87736460      -2.49550703
Cl       7.77061006       6.48334994       9.82465002       4.15627415      -2.01036334       1.88994155
Cl       4.56891001       2.31638001       7.83427002      -0.04645653      -0.86609177      -0.53086600
Cl       5.23275006      10.88460006       6.32644000       0.00339600       0.40112856       0.20875391
Cl       6.13479994       0.83120601      11.69449997      -0.44644109       0.52979890       1.18286785
Cl       3.40724005       0.76442298       2.86866001      -1.37701406       0.09642249      -1.27895822
Cl      12.24069997       3.19613006       4.98717998      -0.85659734      -2.11005390      -0.22972048
Cl       7.07822001       9.88311995       3.40449996       0.50569358      -0.29748879      -0.27038824
Cl       1.39603000       8.05764001      11.06089994      -0.55896062       1.09675245       1.81137098
Cl      11.83900000       0.23791804       2.96362001      -0.65798969       1.08395750       1.39840321
Cl       3.20690995      11.93659997      10.72930001       0.23837366      -0.85760389      -0.46913031
Cl       9.38372001       9.07621998       0.33638296      -0.50954240       0.61160834       0.82900109
Cl       2.48312000       2.44398002      11.26639995      -0.69927854       0.06941214      -0.82235073
Cl       8.74010995       2.39983000       2.51180005       1.14559489       0.52545932       2.87141457
Cl       6.18929997       7.11253998       6.82260996      -0.57996205       0.60909437      -0.00517551
Cl       1.64216997       4.31852999       1.82531002      -0.06676580      -0.06312646       0.26983032
Cl      10.99639994       3.42271003       0.20882898       0.31311967      -2.66394187       2.72037736
Cl       9.60687996       9.89875997       5.89469005      -1.10962729       2.18912023       0.28610146
Cl       9.34600995       6.91768000       4.10129999      -1.33871863      -1.04589361       1.02288932
Cl       8.32063005       5.09726004      12.21840002       1.92942610       0.53317221       3.69550459
Cl       7.40622006      10.25629998       9.27463003       0.09023771      -0.36335553      -0.02777141
Cl       5.43591006       4.40809004       9.87876002      -1.48355960       0.23603160      -0.39841739
Cl       4.87523004       9.89330003       0.60736199      -0.80974886      -0.20979264      -0.46466471
Cl       2.31274994       9.52692998       4.09120003       0.48615851       1.36563739      -1.62646243
Cl       0.35120797       8.76589005       7.24988000      -0.00602137      -1.05172423      -0.39577060
Cl       3.76662994       7.63294995       9.34444998       0.95646881      -0.33001437      -0.80703256
Cl       2.17976998       0.58803002       5.87122002      -0.83210984      -0.04423505      -0.17289386
Cl      12.10260004       6.62027000       3.33017997       1.12944771       0.77345757       1.18624749
Cl       7.48434003       3.43518999       5.85680000       0.01994651       0.44157012      -0.50595766
Cl       2.63575994       6.05744001       6.03485002      -0.61746892      -0.00190803      -0.22137749
72
Lattice="12.5510044 0.0 0.0 0.0 12.5510044 0.0 0.0 0.0 12.5510044" Properties=species:S:1:pos:R:3:forces:R:3 energy=-247.84727569 stress="-0.005788869684897103 -0.0031422624039328384 0.004745892469834747 -0.0031422624039328384 -0.009817731625709165 0.0005343499142888005 0.004745892469834747 0.0005343499142888005 -0.009339077587169347" free_energy=-247.84727569 pbc="T T T" config_type=melt 
Li       7.23510004       7.27551000       0.95099500       0.73731413       0.06618107      -1.51839451
Li       5.44800005       3.74689000       1.55504999      -0.75942364      -0.26687329       0.05637443
Li       3.94717002       4.07534000       5.58783003      -0.32891407      -0.27862965       0.61772467
Li      11.47420001       3.74801005       5.00269003      -0.02135371       0.51907878       0.41095128
Li       0.67745000      12.20939995      10.90759998      -0.16332889      -0.27548940       0.06139645
Li       5.38842997       9.93394000       6.48149004       0.23458873       0.07756130       0.11858167
Li      10.16979998       4.41453001       1.56509996       1.00770049       2.44796479      -0.05568911
Li       6.16196996       1.62929998       7.21335994      -0.33101521       0.35407070       0.15687256
Li       9.48384994       8.29154004      10.95619998       0.77279105       0.22972957      -0.24878603
Li      11.96540001      10.25219996       8.10120004       0.16268897      -0.30865061       0.30774204
Li      11.80570003       6.05790996       7.98655001      -0.15339605       0.04491767       0.21898471
Li       5.25883005      12.34999994       0.45783905       1.93477743      -0.10470159      -3.97797064
Li       8.94396999       4.17511998       7.40649994      -4.54196087       1.25745391      -1.79570280
Li       4.93819996       2.04448996      10.43040000       0.24779992      -0.40446976      -0.17631218
Li       0.97846802       3.16311003      11.15699999       1.46866257       0.04177796      -1.12227592
Li       2.70369997      10.69630006       1.51101002      -0.25768684       0.42496902       0.06778044
Li       1.72049997       8.40849996       4.39421998       0.07694672       0.13491170      -0.13357765
Li       6.05424996       8.10652004       9.53078994      -0.17776960       0.03074152      -0.08332842
Li       6.35365994       5.16243006      10.81109995       0.50184012       0.31219725       0.06598403
Li      10.26819998       1.70683996       9.58759001       0.19361691      -0.10509417       0.05003573
Li      11.22920002       0.98265001       1.14273996       0.46253898      -0.17412309      -0.13634080
Li       7.40385996      11.56609997       9.89614002       0.85525673      -4.13997245       1.75200195
Li       2.52215998       7.99157003       7.56768998      -1.42337188       0.44804337      -0.10869966
Li       8.67852001      11.66270004       6.74002002       0.04224419      -0.15026703       0.80839047
Li       1.02590002       0.15158802       4.99675002       0.05562675       0.14884199      -0.62113156
Li       5.00727002       0.76780104       3.82374997       0.52114922      -2.32095219      -0.64903314
Li       2.67394994       6.02379996      11.54689995       1.27734469       1.20693684       1.79593334
Li       1.34753997       2.87444998       2.09179005      -0.22786598       0.21866105      -0.21381061
Li       8.30240005       1.21406995       0.71208801       0.02341016      -0.69376487       0.36570187
Li      11.00500004       6.95011003       2.73399006      -0.92935879       2.09194010      -0.55083977
Li       1.36657005       2.95041995       8.14835002       0.16207630       1.63560514      -0.81561920
Li       3.27615002       0.01079562       7.99148004      -0.45742693       0.05948795       0.23256091
Li       7.49481998      10.17369996       3.37883995      -0.32989950      -0.23151211       0.10231486
Li       4.21666004       7.36811006       2.15589004       0.76657209      -0.41972980      -0.12664510
Li      11.80360000      10.10650000       1.49881999       0.49774033       0.39361152      -0.53500109
Li       6.87531006       5.04803003       4.59808004       1.58989539      -0.14900195       0.05327896
Cl      12.04430002       2.94429004      12.38858035      -0.51387078      -0.02957620       1.18769947
Cl       9.67440996       2.61482003       1.56847994      -1.31945835      -2.51460103       0.80731722
Cl      11.90829997       5.36249997       3.35680001       0.64800085      -1.26636360      -0.14312180
Cl      10.40140003       3.74966001       8.29240995       4.35761897      -1.68646055       3.20745304
Cl      10.68999996      12.01250004       8.96035006      -0.45731931      -0.39534918      -2.43382584
Cl       4.51826996      12.52815630       2.08252001      -2.39048427      -0.43247929       1.87209262
Cl       3.03368005       8.98908006       2.94679999       0.38753781      -0.09725868      -0.40683070
Cl       0.45864897       7.99973998       5.89596999      -0.57643619      -0.23122820       1.08622536
Cl       2.96056004       4.34656996       0.78718406       0.17509446      -0.27407879       0.50802852
Cl       6.81662005       4.20408996       8.71802003       0.07409090       0.08305813      -0.07172225
Cl       1.62433003       1.41523996       9.28080996      -2.15181752      -3.31525955       2.69711313
Cl       5.18872002       7.18312997      11.70109996      -0.26634568      -0.07217334      -0.61698997
Cl      10.00890000       8.75300006       1.60898994       0.24660364      -0.52567067       0.11615292
Cl       6.92378994      11.58410000       5.46153003      -0.58127941       0.12548205      -0.61893993
Cl       6.40757002       2.16998997       0.27999195      -0.59172578       0.04198830      -0.78898876
Cl       1.76994000      10.55809994       7.89068995       0.04123427       0.05927693       0.23690833
Cl       3.01719004      11.80149996       4.79580995       0.00856547       0.04455642       0.90950759
Cl      12.48901988       2.17102003       3.95911004       0.74420925      -0.87173217      -0.05261718
Cl       1.43141996       9.87145997      12.40589998      -0.14181244      -0.37216908      -0.81405019
Cl       0.74415495       4.65369003       7.05898999       0.16328743       0.29212882      -1.10212345
Cl       8.22092997      11.85940000       2.38926994       0.40756656       0.90146960      -0.97884653
Cl       6.43704003       8.35241003       2.47681006      -0.53163491       1.33685409       1.23740659
Cl       3.80082003       2.62445004       8.44010000       2.22582729       0.51936102      -1.18684066
Cl       1.82639003       4.92832006      10.23970004      -0.96354723      -0.69165798      -1.97879939
Cl       0.66780104      11.90859994       1.97823999      -0.60832886       0.68071114       0.71997161
Cl       4.86187994       2.08161006       5.10842999       0.18497832       2.32938787       2.78127445
Cl       6.65272000       5.44607999       1.67349005       1.07132463      -0.98404448      -0.24983507
Cl       4.57938005       7.93894003       7.65303003       0.94015949      -0.00654881      -0.13072718
Cl       4.95316000       5.07477999       3.99113995      -1.78002786       0.64880474       0.12114075
Cl       8.59096998       6.44338004      11.29509994      -0.76662861      -0.44477751       0.44556110
Cl       6.96284001       0.53583501       9.11556996       0.12586233       5.35263965      -3.33522299
Cl      10.94739997      12.41219996      11.63590000      -0.13835922       0.28251761       1.70179628
Cl       4.91361003      12.15369997      10.74690006      -1.03566151      -0.56315815       0.91258521
Cl       9.24417006       4.21456000       5.28095998      -0.93436111       0.26850671      -0.72159194
Cl       7.31612995      10.00919997       8.04679997       0.13269813      -0.77115565       1.02119043
Cl      10.86299999       7.87114001       9.14860998       0.32462936       0.45754862      -0.31180301
72
Lattice="12.57552821 0.0 0.0 0.0 12.57552821 0.0 0.0 0.0 12.57552821" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.86235272 stress="-0.00787950980316789 0.0034523266712243868 -0.00162369510716056 0.0034523266712243868 -0.00861968068982573 -0.00023857512651079626 -0.00162369510716056 -0.00023857512651079626 -0.009259806320599133" free_energy=-250.86235272 pbc="T T T" config_type=melt 
Li       1.10663001       1.49433002      11.20640002       1.96274679       0.66566285       0.41234506
Li      11.02910004       3.61549995       2.18485001       1.55738254      -1.57478761       1.55003486
Li       7.42787004       9.50892001      12.30789997      -0.24741679       0.75555571       0.19636764
Li      10.77300003       0.95743206       8.60901999      -0.01412146      -0.29513060       0.19744127
Li       2.33793003       4.38292005       0.95821300       0.27257312       0.86181508      -0.35233254
Li      12.09169998       0.27311494       3.66705006       1.68895937      -2.00218001      -0.20377118
Li       3.84685999       3.59528994       8.11856006       1.04375839      -1.89306162       0.57552547
Li       1.65575001       0.50986800       6.47584999       1.43900659      -0.68974934       0.07323370
Li       5.13989001       8.56694995       3.47139999       0.09715086      -0.31919302       0.09467630
Li      10.12479997      10.50770003       5.70483996      -0.99555514       0.51613644       0.39965911
Li       9.03211999       1.57140003       4.95857001       2.69577011       2.15376245      -1.03867912
Li      10.44160003       5.26754005       9.35304999      -0.87926633      -1.00661141       1.19248364
Li       8.97656998       8.00375994       9.03163998       0.24405724       0.35603156       0.40915451
Li       3.85082996       2.09900003       3.98602997      -0.18066763       0.47095395      -0.19805685
Li       7.08282006      12.21579994       8.91374994       0.94679120      -1.10647987       0.08852208
Li       6.04449994       2.18916996       6.74963999       2.06568898       0.16566981      -1.20152236
Li       5.95658002       8.29126004       9.61790998      -0.23897435       0.39700336       0.04706647
Li       1.20572995       6.45115996       3.98161004      -0.22406644      -0.03703893       0.15562904
Li       7.30087997       1.00580005       1.64930995      -1.47872045      -0.00528794       0.72480019
Li       2.70157998       6.21865001       9.82552000      -0.25517889       0.94654258       1.24011196
Li      12.42280005       4.14010999       7.13116995       0.94598649      -1.47104026      -0.46331595
Li       2.90880003       9.13269995       6.12916003       1.16206771       0.91720185       0.52893070
Li      11.85030001      10.12240005       9.13538004       0.83655027       0.54355554       1.02353841
Li       7.09114003       5.21667002       0.62464497       0.53643439       0.41661339      -0.00298954
Li       2.76401999       8.19348002       0.70639006      -0.78838945      -1.44716731      -1.13940038
Li      10.14440006       2.21360999      11.84899996      -0.24592424      -0.24218932       0.49952399
Li       3.23964998      11.32580001       9.66837997       0.06744943      -1.10196962      -0.99870254
Li      12.15900006       9.09837001       2.63880998       1.38596006      -0.28847952       0.15211702
Li       3.43369000      11.70139997       1.13914001      -0.29772093      -0.24068500      -0.02222559
Li       6.42151000      11.70559995       4.04101998      -0.33006861      -0.36472955      -0.36182422
Li       7.54481001       5.98422003       5.89548006      -0.18506249       0.89158697       0.07509923
Li      10.35569999      11.33479994       0.98732006      -0.02883895       0.14280759       0.25513443
Li      12.09999995       7.58921998       6.74846003      -1.74455718       0.17402059       0.43832868
Li       4.94301999       1.65490996      10.78990004       0.20845233       0.04157787       0.14415397
Li       9.19942997       6.86399002       3.60617004      -0.04276378      -0.08651735      -0.38211392
Li      11.73519998       7.53245002      12.26320000       0.51911316      -1.18335603      -0.74691452
Cl       1.90055002      11.50779997       7.88200997      -0.12414644      -0.51148541      -0.06682108
Cl       0.15967173       1.77330001       6.67703996      -1.71791797       1.31647435       0.07782280
Cl       8.94684005       0.83197104       0.59220602       2.41593062       0.37215661      -1.58889734
Cl       3.35269996      12.38143927      11.37230004       0.26753136       0.60232170       1.63667585
Cl      10.37720000       2.87637994       9.86653006      -0.31828761       1.20361633      -1.04148969
Cl      10.12620000       4.97724995       1.26933005      -1.83500754       1.78971877      -2.04602610
Cl       3.70057000       9.30529002       2.03365997       0.46303117       2.18548847      -0.36440511
Cl       7.34801997       7.59503000      11.30220002       0.11333885      -0.93814548       0.32544667
Cl       6.03715005       1.28906005       8.54369000      -0.85874367       0.87841135       1.59415903
Cl       1.18312003       8.18014003       5.93294004       0.51695778      -0.47084662      -1.38387409
Cl       3.14307005       2.92137996      10.67100005      -0.67358214       0.54079641      -0.06972968
Cl       7.46720994      11.17470001       1.77459000      -0.26646593      -1.13502728       0.28583511
Cl       4.15702005       2.40089998       6.25437998      -2.28186777       0.06689933      -1.03850743
Cl       7.53343997       0.57047173       5.32438005      -2.17796891      -1.75954031       1.11985520
Cl       3.37174006       8.94236002       9.89300003       0.29710973      -0.70298878      -0.06407155
Cl       0.71393298      11.79180004       1.54289998      -0.14697782      -0.01140389       0.39538699
Cl      12.13610002       0.46270902      10.55409995      -1.27888267      -1.55537077      -0.46166996
Cl      10.94300005       8.82375996       1.04725000      -1.28893029       0.73085502      -0.61790075
Cl       5.43445000       0.98644996       2.95806001      -0.71440113      -0.03663409      -0.44090442
Cl      10.86549996       1.69359996       3.28805998      -1.85165591       1.38099923       0.26820594
Cl       4.43328994      10.07190000       4.92219995       0.50529061       0.70877328       0.61625508
Cl       1.56994994       3.07915002       2.40391005      -0.12443789      -0.61997715       0.51904475
Cl       1.38209004       6.46385998      12.04190001       0.20746364       0.06395407       0.01244832
Cl      11.26680003       6.17324003       3.98269003       0.82039816       0.30643785       0.58828401
Cl       7.17143000       7.79752996       3.97033005       0.55598519      -0.22198019       0.08273269
Cl       6.34009000       3.57720998      12.17200001      -0.23656935      -0.67515032      -0.15795946
Cl       9.04994995      11.56259997       8.17404002      -0.16965645       1.83666879       0.11459127
Cl       7.52752997       6.96728001       7.81207997      -0.29178978       0.13047021       0.34508287
Cl       6.72180004      10.55480003      10.24240002      -0.36813583      -0.33146612       0.45327040
Cl       2.98320000       6.43088996       2.65611994      -0.17390942      -0.60131223      -0.05260162
Cl      10.84659995       9.69819995       7.46115005       1.04166432      -2.61316713      -0.68420983
Cl      10.87429994       7.20863998      10.18970000      -0.28259735       1.24622719       0.89477344
Cl      11.11809994      10.21360005       3.94294998      -0.30635826       1.24877104       0.38489729
Cl      11.54519997       5.81175006       7.77465004       0.17315322       0.27080103      -1.41625988
Cl       7.27485995       4.32052003       4.78966998       0.16115384      -1.31206163      -0.36630242
Cl       2.69503001       5.12075999       8.11188006      -1.54932433       1.55587313      -1.21516629
72
Lattice="12.53792111 0.0 0.0 0.0 12.53792111 0.0 0.0 0.0 12.53792111" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.48078101 stress="-0.010504182810754444 -7.136740638676033e-05 -0.005127173847973303 -7.136740638676033e-05 -0.01238594931568234 -0.001027056186338779 -0.005127173847973303 -0.001027056186338779 -0.010538858014024018" free_energy=-249.48078101 pbc="T T T" config_type=melt 
Li       5.07287999       4.88688006       7.72928006      -0.20587826       0.32957324       0.04701593
Li      10.42059999       6.72774001       2.33850998      -1.09208379       0.01483313       1.00480083
Li       8.43947994       4.05087004       9.12532003       0.13430275       0.17686091       0.14544969
Li      11.64219999      11.10929998       0.53622996       0.01263007      -2.95565678      -3.00816188
Li       2.39730004      12.32329999       8.22043996      -0.48904572       1.06551879      -0.86835634
Li      10.52609996       2.86528998       6.11720005       0.19438053      -0.46889080      -0.11639511
Li      11.90680003       4.43197996      12.02220005      -0.24561804      -0.04780829       0.06557770
Li      12.39063815       6.85479003       7.76325996       0.43651816       0.02817940       0.04731542
Li      11.52720005       1.88870002       2.15171000       0.46074198       0.06125898       0.42412785
Li       9.70686003       9.46418004       5.48504998       0.69103912      -0.87133548       0.99895786
Li       6.60248994       7.02701994      10.30069998      -0.35273247      -0.33433565      -0.84183513
Li       5.43702999       1.10440002       1.34431001       0.20694244      -0.27809925      -0.00070142
Li       1.55622006       3.45070997       8.49602998       0.25285662      -0.16552428       0.09995745
Li       5.33342000       2.93287000      11.13520006      -0.85026790       0.35733469       0.40049611
Li       1.94823998      12.50810004      11.76090000      -6.06752598       0.40709495      -2.77692568
Li       6.73882003       5.96114005       0.96827506       0.80953031       1.13059280      -0.24803062
Li       4.57644000       8.64079997       8.02155994       0.59083114      -0.11034379      -0.55902710
Li       7.92892000       6.05311999       5.72807000      -0.96087818      -0.25893712       1.19172085
Li       4.11158003      10.24380001      11.06779996       1.25099179      -1.23537915       0.85517123
Li       0.46732305       0.67817202       5.85596996      -0.01203118       0.09656542      -1.17834928
Li       1.36862003       6.62278997       1.44818994      -0.48337333      -0.64357059       1.22807694
Li       8.08380997       9.43305001      11.59119999      -0.07640647      -0.23994558       0.34445136
Li      11.90549997       1.99311997      10.01170002       0.28123529      -0.55071236      -0.12325402
Li       9.04228000      12.44169996       4.03782997       0.05506546       0.36219185      -1.03542035
Li       6.36171998       0.09015505       9.77299994      -0.25167948      -0.91780826      -0.63264204
Li       6.59033004      10.14499994       2.86997001       1.01528515       0.03399746      -0.31882387
Li       2.49429001       6.42853005       5.72345003       0.77778973       1.37539011      -0.30174003
Li       3.45185004       3.77612996       2.38172995       0.56521312      -0.49370097      -0.01667093
Li      10.87150000      11.14730003       8.91964998      -0.86685428      -0.41477828       0.19317800
Li       0.44149506       4.22627994       4.58587003       0.52228702       1.15732741       0.35665314
Li      11.18819999       7.83383002      11.32060006       0.80228353      -1.09781301      -0.04705900
Li       2.62836001       7.53715999      10.56650002      -0.84331197      -0.52641504       0.00540599
Li       6.02855996       2.85064005       5.10762997       0.15551115      -0.57900448      -0.08398608
Li       0.47799997      10.07540006       4.16635996       0.32886499      -0.29196616      -0.24073680
Li       8.57540994       2.15164004       0.02566174      -0.76755316      -0.35355972      -0.29783095
Li       2.89048995      11.73280001       2.58829997      -0.65654914       0.43688676      -0.01122614
Cl       8.38133997      10.50840005       4.45404996      -1.25131468      -0.46378595      -0.32586525
Cl      12.09362508      12.28150006      10.00770005       0.97163089       0.04855322       2.37457975
Cl       7.89944999       8.85711998       1.35160006      -0.66844676      -0.05290107       0.24557652
Cl       1.01683995       3.18740999      10.98419998       0.96978224      -0.12571944       0.05399581
Cl       3.65680995       2.41888006       8.14772001       0.01730059      -0.38984112      -0.04031776
Cl       8.13591004       6.49721002      11.72280002       0.28913370      -0.06704377      -0.10048630
Cl       2.98181002      11.33030002       9.89858001      -1.20177383       0.00383280      -1.79515065
Cl       9.18674995       1.13269999       5.71293999      -0.08600754       0.04926968       0.27103671
Cl       7.16245005      12.20319999       2.01200998      -0.46755956       0.68062534      -0.26461996
Cl       4.51203998       7.98390004       9.98960005       2.55987554       1.75094711       3.55163415
Cl       0.96807195       7.67554002       4.42123997      -0.08835979       0.42765287       0.15182859
Cl       3.53459004      12.39320002      12.41010816       6.48550099       0.05275852       4.18181484
Cl      11.72310005       6.73147995       0.78964504       0.03365900      -0.53672695      -0.89694912
Cl       8.90632003       4.11160999       6.85233999      -0.22974307       0.45897525       0.74316101
Cl       6.92489005       1.58081996      11.14870002       0.62684639      -0.48998510       0.34378390
Cl      12.50035863       1.32147996       7.72878005       0.22027538       1.41341790      -0.35541152
Cl       1.87862004      11.71719995       5.02310996       0.26076352      -0.30098044       0.15011852
Cl       5.71714997       4.91415994       5.31991001      -0.49542034       0.23569775      -0.06220206
Cl      10.26980002       9.65288001      11.27729997      -0.24711204       1.19436419      -0.20437536
Cl      10.32030001       2.76095003       0.76650305       0.39981730       2.13742430       0.30283358
Cl       1.96253998       7.85507001       0.03247886       1.39230062       1.49935932      -0.32568350
Cl       1.51782995       4.90709006       6.52979997      -1.90369915      -1.83125823       0.40653832
Cl       3.25763000       6.73545999       8.18749005      -0.62641557      -1.04993400      -3.11531883
Cl       5.79194996       4.54226000       9.92829000       0.58927474       0.85121809      -0.75530993
Cl       0.52852102      10.80419995       1.90045997       3.11627632      -1.52359846       1.47031735
Cl       9.27059002       6.08422005       4.21347998       1.16200078       0.45424087      -1.35399147
Cl      11.06120000       0.01107888       1.45658998      -2.95394754       2.67360994       1.71497492
Cl       6.98576002       7.16211002       7.56532004      -0.11847390       0.16168885       0.23026871
Cl       1.53401001       4.71540004       2.70046998       0.34283139       0.22856451      -0.46098395
Cl      10.96149995       9.93033995       7.26705004       0.29955896      -0.90031770      -1.04048223
Cl       4.01737999       1.40127994       3.06538994      -0.04704212       0.39064048       0.13336744
Cl      12.37019996       2.37028997       4.06388001      -0.48182238      -1.24881719       0.87423662
Cl       0.66337890       6.96459000       9.87181005      -1.89199988      -0.17990076      -0.44536222
Cl       5.92763998       4.07985997       1.01471000      -0.98870593      -1.36994766       0.24339206
Cl      10.52740001       3.53408000      10.38769999      -1.59543784       0.88555258      -1.05161178
Cl       6.39252001      10.39289996       9.20344996       0.28394257       0.73434342       0.44947950
72
Lattice="12.48874827 0.0 0.0 0.0 12.48874827 0.0 0.0 0.0 12.48874827" Properties=species:S:1:pos:R:3:forces:R:3 energy=-246.99108413 stress="-0.013714219808692892 0.005149104601139865 0.004058925311713049 0.005149104601139865 -0.015839444921701855 -0.0020988017465396287 0.004058925311713049 -0.0020988017465396287 -0.0103799941055787" free_energy=-246.99108413 pbc="T T T" config_type=melt 
Li       6.89542994       6.49729002       2.06268000       0.26941384      -0.30055562      -0.30043257
Li       5.45980999       6.06633004       5.49443005      -0.66681757      -0.66263437       1.89274703
Li       0.39407396       9.52046005       2.05587002       0.27754542       0.14292371       0.26860593
Li      11.90270002      12.46428668       0.69402797       0.14498169      -0.00060100      -0.08579897
Li       1.70228995       0.74761706       8.17171994       4.40557293       2.27161919      -0.84801293
Li      11.12600004       7.44942994       7.31717997       0.30305717      -0.15638929       0.76069037
Li       4.18638003      11.63529993       5.95636999      -1.20822690       0.47393363      -1.72177154
Li       3.85574005       4.71307001       9.04749004      -0.50154794       0.30716650      -0.52074054
Li      10.13599998      12.17130002       3.72761998      -0.54507488       2.03514578       1.00828684
Li       8.85294994       8.05665998      10.77309998      -0.74643916       0.04323823       0.25089373
Li       8.43000000       1.10370999      10.65290003      -0.64701349       0.21855265      -0.33982883
Li       0.84809104       8.85458996      11.32739996      -0.13244379      -1.67816922      -0.19073410
Li       8.65059001       9.39540996       5.00499001       0.51911178       0.20656944       0.25633506
Li       9.24868003       2.79178999       3.07075003       0.10269301      -2.73399318       1.35514750
Li      10.12559997       5.58261997       3.99644003      -0.24012273       0.15321990       0.01607339
Li       5.53416000       7.89337996      11.44459999      -0.58509369      -0.65409322       0.36031578
Li       0.02355178      11.51380002       6.52299998      -1.02873349      -0.84881384       0.85404282
Li       8.50860006       0.17132302       6.56888002       0.29275228       0.97673020      -0.27095522
Li      10.75899994      11.40689996       9.30786996       1.50356213      -4.09153257      -2.42970366
Li       5.97234997       1.48982000       0.69597396      -0.38758116       0.62758141      -0.00979071
Li       2.85033000       3.00554004       5.54312005       0.08542644       1.50747839      -0.40061021
Li       9.17607994       4.25539998       7.90305999      -1.58639027      -0.92387089      -0.30886689
Li       4.56291005       8.95281996       2.97418004       0.87398743      -0.41635673      -0.44027632
Li       6.73703003       4.43203996      11.48090004      -0.58303546       1.56449106       0.36803355
Li       4.00743001       7.92474995       8.17290001      -1.86250014      -0.45380512       0.64630030
Li       6.77549000      10.07289995       7.71165993       0.07224908      -0.88592189       0.34881185
Li       3.82018995      11.02470005      10.70889995      -0.62046278      -1.27779647      -0.27587550
Li       6.30662005      12.29630003       3.14137003       1.60265670       0.32170641       0.05504654
Li       1.95646994       3.90966996       0.11774804       0.46463834      -0.13941433       0.25107545
Li       2.45039994      12.42950002       2.76274004       1.44716262      -1.83069282       1.63262107
Li       0.31981299       2.09053004       3.55679001      -0.23107372      -0.23495817       0.09087897
Li       5.06951000       3.67279999       3.07039998       1.18531436      -1.13274798      -5.35259008
Li       1.73230004       6.55522994       2.45391003       0.00425492       0.40142851      -0.53501405
Li       5.58240004       1.66332006       8.82934995       0.04031813      -0.38997090      -0.11087520
Li       0.12455603       3.86245999       8.33371999      -1.37535842       0.32419734      -0.84807170
Li       8.86915996       9.63286003       1.48897001       0.84786326      -0.24225719      -0.35692022
Cl       1.22485996       0.97807505       1.75011998      -0.65062287       1.15995912      -1.79014302
Cl       4.72017998       4.08027001       4.74055000      -1.38310118       0.79243489       4.90972734
Cl      11.78916531       7.79984998       1.28546998       0.37493249      -0.41379035      -0.18792858
Cl       2.88845003       5.80027999       7.01986995      -0.03680951      -0.19033504       0.36334257
Cl       5.51787005       5.77349000      10.16160004      -0.62620934      -0.22467155      -0.69123742
Cl       2.64147004       9.20795997       9.09144994      -0.36542156       0.44901441       0.61852072
Cl      10.73990002      10.47560001       2.96504002       1.18331137      -1.38086575      -1.23264513
Cl      10.88159998       1.63467000       2.56704997       0.03498658      -0.98874685      -1.25372484
Cl      10.97029994       5.01756006       7.83761995       1.13373127       1.69820117      -0.08451943
Cl       2.63499001       9.51251995       3.34026996      -2.46080226       0.30879825       1.09436939
Cl       7.80105002       2.62185996       8.09729999      -0.96211194      -0.77223775       0.46417770
Cl       5.80899002       7.10234003       3.88113005       0.19627386       1.14891439      -1.78918780
Cl       0.89024906       0.30314001       5.30397002       0.19965228       0.95461035      -2.13130808
Cl       5.66092005       7.71644999       7.24003997       2.89868423       0.37098739      -1.20458816
Cl       8.58110998       4.47947997       2.71632997      -0.85598564       4.08237428      -0.58179037
Cl       0.12384904       0.03035178       8.50952997      -3.70507573      -2.22851197       0.69127365
Cl       6.61842001       2.05315996       2.85523995       0.11523324      -0.94320854      -0.56668169
Cl       7.99028004      11.84010004       4.54339001       0.08642495       2.20958098       1.68452353
Cl       3.43015997       8.22038997       0.85575701       0.51923935      -0.78535731      -1.03966656
Cl       7.64713994       9.74694999       3.13283997      -1.76519233      -2.39090719      -2.05925672
Cl       3.29721001       1.40767001       6.61327003       1.18277383      -0.90803778       1.33410670
Cl       1.73428999       3.21263995       9.07826994       2.42695872      -0.81480596       1.60869339
Cl       4.43658998      11.94140003       3.67249002      -1.04169675       0.00419025       0.32646569
Cl       7.48554003       6.86853005      12.26200131       0.71052792      -0.27125286       0.82936648
Cl       9.98155999       7.49319002       5.57893004      -0.41697578      -0.24288740      -0.92590444
Cl       5.22869996      11.50560004       7.59138005       1.31997732       0.15233400       1.67098990
Cl       0.98115903      10.79110002      11.48090004      -0.01077953       2.31151788       1.09450836
Cl       9.80124994      10.84069995       6.87709996       0.22938684      -0.47978012       0.63349080
Cl       4.84581005       4.14350004       0.70525298      -0.68361916      -0.07459557       0.26223519
Cl       7.21340996       2.48602996      11.64429995       0.50782405      -1.08621712       0.17242572
Cl       4.50982001       0.47677495      10.68099996       0.42943095       1.23550433       0.11611789
Cl      10.22689996       0.34675172      10.21619997      -1.11473959       3.53559693       3.00715902
Cl       0.78532196       4.41229999       1.96301005       0.29484039       0.25332462       0.36353687
Cl      10.61619997       9.15312000      10.30099995       0.36307496      -0.14379668      -0.42375749
Cl       6.61413999       9.60848999      10.82630005       0.39081101       0.92247843      -0.58161562
Cl       9.96415006       2.21363001       5.49172998      -0.01357838       0.22877658       0.22988748
72
Lattice="12.44252892 0.0 0.0 0.0 12.44252892 0.0 0.0 0.0 12.44252892" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.84782737 stress="-0.009808651434542267 -0.0003169118144705361 -0.003750294094916805 -0.0003169118144705361 -0.015563785737647932 -0.003809243619441036 -0.003750294094916805 -0.003809243619441036 -0.008997879998274907" free_energy=-249.84782737 pbc="T T T" config_type=melt 
Li      10.48610001       8.87844005      10.21840000       0.88004980      -0.00313257       0.41438006
Li       1.36891994       0.26497299       9.09129003      -0.29312238      -0.57876007       0.78579488
Li       7.23057006       9.66667998       7.16032003      -0.13869537      -0.05312437      -0.05564741
Li       7.76427006       6.57610996       8.61524000       0.60831975       0.63432348      -0.13494312
Li      10.32540002      11.36339996       3.85327004       0.40636180       0.21420841       0.32121097
Li       3.31703002      11.78849995       0.49504194      -0.03695857      -1.21101884      -0.85388916
Li       8.48441004       9.79168994       1.30750001      -2.89214397       0.43950472      -2.63832424
Li       8.69766006       3.50184002       4.12214998      -0.77022391      -6.35029836       1.94803043
Li      11.46409996       9.76256994       7.16347994       0.61637960       0.43682666      -0.19708395
Li       2.28115004       2.80909998       7.41915002      -0.44518111       2.84676531       0.10606364
Li      12.18560003      11.43989999       0.57489896      -0.53200517      -1.04317766       1.70948517
Li       7.43755003       0.05903395       8.96581995       1.66325269      -1.32749047      -1.44099940
Li       9.85974000       7.82481006       4.58207002       0.36125139      -0.12546138      -0.13227701
Li       4.46059996       5.89144997       7.88895005      -0.43865975       2.68476332       0.84740980
Li      10.44689995       5.43460996       7.16784005       0.31313230      -0.47474474       0.04827190
Li       7.09776995       3.29809000       7.00514005      -0.21239136      -0.60804363      -0.74559079
Li       4.57904997       9.62492994       2.70782999       0.26456667      -0.03310843      -0.27030341
Li       2.45809002       8.91029006      10.58560006       0.08310565       0.28867343      -0.21623564
Li       1.36386006       5.37606002       9.84357006      -1.85907122      -1.45031006      -0.60427588
Li       9.38586006       4.11464005      10.30280004      -0.57628269      -0.93791376      -0.00801141
Li       4.35453997       2.26416002       9.13078996      -0.00639769      -0.37921541       0.42997903
Li       0.47962901       2.65124000       3.03828004      -2.10790549      -3.54710868      -2.90446381
Li       1.47723999       6.19173000       5.62282996       0.62705912      -0.87642299      -1.39598970
Li       2.70650001      11.92900000       4.10220001       0.27192555       0.44983116       0.73721894
Li       7.15781000      12.03640005       4.87844994      -0.40465720       0.01292843      -0.28853263
Li       6.17211000       1.57482998      12.25199996       0.69083815      -0.10262181      -0.09255948
Li       0.81490800       8.99968005       3.65609005      -0.00833030      -1.22670760      -0.42779162
Li       3.99011994      11.60530002       7.15997998      -0.15586091      -0.16246089       0.06487111
Li       5.81777004       7.44002000      12.04330005      -1.89916334      -0.16834442      -0.31273144
Li       9.48705005       1.72429001       1.36235004       0.24073126       0.36266537       0.24543002
Li       8.00464006       5.56414004       1.45972999      -0.20221617       1.30967264       0.32689405
Li      10.19629995       1.04063004       6.99673997       0.13375400      -0.01813429      -0.51543938
Li      10.65949997       0.50298401      10.39060000      -0.00891482      -0.40263343       0.29609172
Li       5.64198001       3.41064997       2.47974998       0.72105688      -1.71639786       1.22734157
Li       2.88787998       5.44144999       0.25824606       1.52479072       0.93995506      -0.35647888
Li       1.00202995       2.31558997      11.84610003       0.32449751       0.57649806       0.18940755
Cl       2.46117005       0.90700399       7.35966005       1.14742187      -2.09375071      -1.26382397
Cl       7.94170998       4.55565005       8.43392000      -0.06143547      -0.61512761       0.49507666
Cl       4.36130995       1.06004996       0.87944902       0.05871339       0.92942509       0.69366444
Cl       7.63481003       8.04732005      12.43157925       1.96066818      -0.18956878       0.22002663
Cl       5.01099000       4.85500996       1.34119002      -0.67548185       1.93074139      -1.31629765
Cl      11.03230003       9.90896998      12.18779999      -0.43854794      -0.90451682      -0.80426696
Cl       4.46762003       4.00063998       7.59587997       0.54341866      -2.85208753      -0.61677116
Cl       4.26248006       9.07481998       0.23079995      -0.52087886      -0.12819494      -0.03185517
Cl       4.52857001      10.78219998       4.86519006      -0.05325098       0.35440562       1.20639711
Cl       3.36268999      11.58340004      10.16040002      -0.27068579      -0.10087682       0.09348023
Cl       6.70589997       2.06122996       4.26265998      -0.01052895       0.11226786       0.04518663
Cl      10.76839997       5.55145999       9.70781995       0.92213081       0.82545629      -0.13565620
Cl       6.53461002       1.25970004      10.07099995      -2.31189397       2.40857536       1.45411661
Cl      11.45229996       1.04840998       2.50202994      -0.25891115      -0.47382594       0.18134961
Cl       1.70929005       5.92667004       7.56231002       0.43873988      -0.68555469       0.92366128
Cl       8.20437998       3.65293002       0.82965601       0.03953161      -1.59694299      -1.15428881
Cl       6.21652000      11.86810004       7.20736996       0.46626786      -0.18581865       0.38379458
Cl       0.43179905       9.73949005       9.12250000      -0.30564068      -1.07001312       0.24510749
Cl      12.18539995      10.19439998       4.81789004      -0.82623525       1.23162133       1.26801160
Cl      11.85470006      12.33399996       7.87207997       0.22113713      -0.18817821      -0.01605501
Cl       9.83448005       2.95442997       5.77307996       0.44013231      -0.07874573       0.86205852
Cl       1.14593004       3.95803004       3.97049994       2.42888567       4.05240404       3.45858568
Cl       6.02624001       7.72874005       8.71131001      -0.55998985       0.63714955      -0.30470555
Cl       9.29843002       7.31569997       6.92231001      -0.69744096       1.20331369       0.05796178
Cl       2.41468003      10.21469996       2.97888003      -0.76446340      -0.31472646      -2.02051538
Cl       6.56903003      10.51370003       2.58031000       0.73530371       0.33992397      -0.08778063
Cl       9.78296997       9.67430998       2.58671006       2.66577227      -0.96600246       3.27432641
Cl       1.93716999       2.94475005       9.95077999       0.34483530      -0.01899534      -0.79522688
Cl       8.97303002       0.44044400      12.23859998      -0.23389629      -0.61871343      -0.43639337
Cl       0.05627109       0.41256701      11.74700001       0.79325433       1.35325027      -1.61463479
Cl       9.64361004       1.72529002       8.95668004      -0.93130371       0.68987958       0.63253420
Cl       8.78050005       5.08417994       3.52739996       0.30998901       7.45397436      -2.04473239
Cl       1.39621997       4.20522999       0.53530397      -1.60718770      -0.98749186       0.35392831
Cl       9.21735002      11.39059995       6.05360997      -0.40611217      -0.28311414      -0.25160470
Cl       2.87130006       6.53325005      10.18730002       2.24071009       1.62707179       1.82999253
Cl      12.07740005       6.92729996       5.43319997      -1.56591855       0.80280172      -0.89096418
72
Lattice="12.39865989 0.0 0.0 0.0 12.39865989 0.0 0.0 0.0 12.39865989" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.69215401 stress="-0.00888696076022532 0.0028070754507417165 -0.005806889808037824 0.0028070754507417165 -0.006182237277344748 -0.0047762304484127455 -0.005806889808037824 -0.0047762304484127455 -0.004878603375261535" free_energy=-251.69215401 pbc="T T T" config_type=melt 
Li       1.75364005      10.11620001       7.73323995      -0.32648985      -0.57301649       0.18080411
Li       3.03458999       9.35514002       3.60247006      -0.20635400      -0.19354138      -0.06100538
Li       0.07034008      11.44200000      10.58569994      -2.55604827       0.77020478       0.24152279
Li       4.00042997       8.02688001       6.30877998       6.01139630      -0.31600101       2.25062564
Li       7.73133006       7.13327004      11.54830003      -0.30851455       0.08517668      -0.46188736
Li       7.89168999       6.49369000       3.47751004      -0.59701963       0.13235890      -0.55419232
Li       8.39326004       2.88832002       3.22084005      -0.67277410      -0.44299754       0.18784432
Li       1.00578995       2.23063001      12.13379997       0.12502596      -0.06984028       0.22684228
Li       0.98371798       2.90485996       5.83711996       0.12145216      -1.11642481       0.15385083
Li       9.85728004       9.88395997       2.32520996       2.50145913      -1.63915525      -1.85531057
Li       2.88922004       0.78666794       7.78503002       0.53249173       1.00729139       0.59626998
Li       8.67178998       1.49396003      11.72870004       0.06385652      -0.11248620       0.01244961
Li       8.69235998       8.28246996       7.63584004       0.05501120       0.62494278      -0.05270187
Li       8.02527997      11.18869996      10.16229997       0.35915922       0.43798722       2.12400901
Li       6.13827002       2.19181997       6.50150996      -0.57739358      -0.20678729      -0.42588003
Li       7.05064004      12.00430005       1.70851004      -0.13920324       0.31357595       0.11547609
Li       6.44294005       5.68765002       8.33652005       0.00541007      -0.36587841       0.35845760
Li      11.48859999       5.41024997       4.24406996       0.19899404      -0.12642644       0.55348401
Li       4.18627001      12.25849998      11.44290002       0.00813663      -0.19703304      -0.20760986
Li      11.73240005       3.73111000       9.83290006       0.14930935       0.16244972      -0.32369359
Li       0.55827396       6.89229005       7.94538003       0.61020573       0.20029104      -0.01760445
Li       5.55408000       3.35177002       0.25793800      -0.61425784       0.12992957      -0.28633930
Li       3.38145006       0.98751396       3.70101994      -0.14589836       0.55871619       0.17638429
Li       1.28568003      11.49840001       1.63975005      -1.80047982      -0.70114013      -0.90130180
Li      10.35760006       4.54522002       0.96225801      -1.15830432      -1.66112803      -1.27290913
Li       3.35741997       5.04757999       5.42260994       0.24838098       0.05772126       0.11991925
Li      12.34359124       7.49600002       1.35077002       2.00396110      -2.38048438       1.03647415
Li       5.56597999      10.22330001       8.29171998      -0.24200068       0.51696759       0.17495818
Li       9.80565004       0.61623695       7.80613998      -0.21913862      -0.32852359       0.07521823
Li      11.06520001       1.09855995       4.38042001       0.35693724       0.05055778       0.07030394
Li       2.01560997       8.40670998      11.15670002      -0.15052949       0.14574053       0.16473338
Li       9.55782004       4.34656001       6.76242996       0.27227044       0.57909228      -0.35507030
Li       3.03882004       4.54612996       9.58676000       1.87795276       1.79265842      -0.20993991
Li      10.73070004       8.04223997      10.45170006       0.28844966       0.22772912       0.15361479
Li       5.02927002       6.09118995       1.67958000      -1.12590690       0.04051585       0.00680868
Li       7.74745997      10.73449998       5.29365000      -0.08469068       0.30715719       0.48726545
Cl       3.03648996      11.76089998       2.37700995       2.56178285      -0.59218428       0.62505478
Cl       2.84065002      11.54570003       6.66352002      -0.29032336      -1.00602503      -1.27625830
Cl       1.86253004       8.72413998       1.47952998       0.64369639      -0.06374346       0.38809299
Cl       2.70790005       8.65453998       9.05291004       1.55538159      -1.38896290      -0.46834823
Cl      10.50899997       3.42129997       3.69027997      -0.60293260      -1.92035985       0.67900810
Cl       9.00793997       6.21831998       5.26381002       0.46045877       0.24522888       0.59271645
Cl      10.73680006       5.78057004       2.21906999       1.04324577       4.43917102       1.79444680
Cl      11.25049997       8.76917997       0.58012301      -2.74348066       2.74912367      -1.11595946
Cl       7.13989005       2.04813996       1.03112004       0.95646715       0.82796833       0.52781417
Cl      10.88610001       3.38674999      11.89639997       0.30992644      -1.35191225      -1.44549556
Cl       4.29893998       5.49824995       7.66465998      -0.40887035      -0.08668713      -0.88024664
Cl      12.14679996       8.96294003       8.12150002      -1.39545380      -0.10107233       0.21699262
Cl       7.73753001       3.45647001       7.22538005      -0.55180553      -0.30022551       0.64249589
Cl       7.97924002      10.67060002       8.31262003      -0.34040366      -0.71654967      -2.74768331
Cl       0.69930302       6.47203996      11.07029995      -0.47256229      -0.02238894      -0.32236985
Cl       1.00719001       1.57810999       4.07311005      -1.64911471      -0.65109746      -0.72102026
Cl       8.48664005       6.60432002       8.97329998       0.24005960      -0.56998819       0.05396727
Cl       2.37711001       8.09902000       5.76041999      -6.11388368       0.49396644      -2.67112766
Cl       3.35331006       2.08340001       5.61349004       1.24494624       1.26162510       1.55771060
Cl       6.78894995      11.90950002      11.90910004      -0.48775655      -0.44236778      -0.18275120
Cl       1.86366997      10.85159999      10.69680000       2.40333514       0.17261792       0.61817994
Cl       4.70574001      12.38462424       9.19483006       0.15721251       0.34819799       0.14143092
Cl       5.41307004       5.60363001      10.61959999       0.07753829      -0.45253981       0.69108153
Cl       4.90961006       6.81471003       3.69576997      -0.13006735      -0.14721541       0.66672597
Cl       1.60534005       3.24577996       9.83234001      -1.29536199      -1.87756420       0.42537456
Cl       5.77898996       9.66541003       6.14822998       0.13556312      -0.44387049      -0.54326930
Cl       9.92356997       0.35492094      10.17370004       0.16873017       0.17491342      -0.43112447
Cl      11.55919994       3.71515999       7.42756004      -0.63623602      -0.63663838       0.91699385
Cl       3.42063999       2.64130995       1.04146995       0.16805717       0.15173583      -0.48363664
Cl       8.42637996      10.80729995       3.10902001      -2.26546736       1.20353114       0.75717986
Cl       9.96658005      11.68419988       5.88077006       0.34008953       0.76370106      -0.14745118
Cl       6.57593998       1.63562997       4.33778994       0.43352925      -0.10920948      -0.20762719
Cl       8.69937006       9.12742003      10.91930002       0.14242023      -0.40469801       0.63710773
Cl       1.10864006       4.91301994       5.62964996       0.24125928       2.05849179      -0.79962699
Cl      12.26460000       0.03663668       0.29153304      -0.35039674       0.80099279       0.12603549
Cl       6.99661002       6.40310006       1.20811996       1.58556091      -0.11616479      -0.09628403
72
Lattice="12.40670878 0.0 0.0 0.0 12.40670878 0.0 0.0 0.0 12.40670878" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.71630893 stress="-0.0074598527995197676 -0.003851308451198691 0.003432321610868434 -0.003851308451198691 -0.008371614387496623 0.002571996823884749 0.003432321610868434 0.002571996823884749 -0.005449030523014858" free_energy=-250.71630893 pbc="T T T" config_type=melt 
Li       8.94733004       8.18422998       6.90981001       0.31102586       0.54497713       0.14877100
Li       2.41491003       9.08336005      10.07699996      -0.10436246      -0.46146740       0.26209017
Li       3.83656005      11.68740006      12.36929995      -0.72816229      -0.38304935      -0.39402627
Li       4.94064002      11.20710001       2.62581999      -0.02009132      -0.67145097       0.24817816
Li      11.47150000       6.22859001      11.45830001       0.65652021       1.74875720      -0.05425172
Li       2.87718003       5.26734005      10.60810002      -1.42160990      -0.12229813      -3.29093844
Li       6.46491002       9.08479997       4.02398994      -0.09288385      -0.11645783       0.17865781
Li       2.33076997      12.39259999       8.37269000       0.34568923       0.37925510       0.76721360
Li      10.87349999       7.72837996       2.71207999       0.75807920       0.20849547      -0.08706568
Li       7.10515004       1.21018003       4.33082001       1.57478004      -2.02647401       1.64961818
Li       4.29466003       5.25662996       7.15264999      -0.57958291       0.14936086      -0.42541825
Li       7.63084996       4.87900994       5.83421002       0.27457612      -0.10593581      -0.90483545
Li       8.38707000      10.55080001       1.36970995       0.78885652      -0.95892894      -0.35933522
Li       5.48960003       2.33166995       1.47428995      -0.35854136      -0.35508263      -1.59684027
Li       7.73989996      10.98570006       7.09883006       0.60113379      -0.39735137       0.45766045
Li       1.08226004      12.22099995       3.12830001       0.02798084       0.04739265      -0.33234174
Li       0.92610498       2.39875997       7.07353998      -0.42700679      -0.07777724       0.47275708
Li      12.11639998      10.60160002       6.42450000       0.43374317       1.24914014       0.21701792
Li       7.65652006       0.22691200      11.39290003      -0.07620724      -0.08530857       0.71220152
Li       6.57102001       8.31670001       9.65522000       0.32347416      -0.37399611       0.14067079
Li      11.81989999       3.39999006       1.80459003      -0.27123517       1.51226758      -1.51648005
Li       5.22648004       1.36416999       9.14984004      -0.13811667      -0.19459177       0.02942347
Li       1.41001005       1.89700004      10.96110004      -1.23317316      -0.31314347       0.80509545
Li       9.30489002       2.58294005      11.03750006       1.87843808       0.12195390      -0.79063517
Li       1.20383002       4.87534003       4.48058002       0.53580302       0.01309410       0.72963466
Li       3.70489001       1.06642002       5.13181995       0.03637984       0.15845144       0.19047881
Li      10.85240003       1.50525995       4.76790997       0.67394802       1.79684323      -0.50778186
Li      11.95669996      11.15990006       0.77835497      -0.91698299      -0.73454896       0.03207284
Li       6.78596996       4.72997001       9.38209995       0.45668591       0.41584354       1.30590550
Li       4.55711999       5.62020000       1.79590000      -0.02057611       0.16293120       0.22954737
Li       4.04418000      10.13140003       6.52495005       0.38017339      -0.23575217       0.20923672
Li       8.72363001       1.83448003       7.49793999       0.24153903      -0.94766598       0.70638829
Li      10.94930002       9.95979998       9.81804006      -4.43874075       1.52093807       1.34204507
Li       7.97239002       6.38610000       1.42767000       1.70433130       0.40209976      -2.01253363
Li       2.06347996       8.26352002       2.13663996      -0.46773449       0.17414494      -0.30126855
Li      10.67730005       4.80504995       6.70417005      -0.75292152       0.02645835       0.68069551
Cl       8.57551004       0.44665305       9.55604995       0.16167432       0.33808310      -1.60984941
Cl       3.09096996       2.50464999       6.70868001       1.09539210       0.73944762      -0.14240620
Cl       7.08010995      11.04590002       2.78771997      -0.97599765       0.61054229       1.42426492
Cl      11.06390004       4.36499999      11.88429999      -0.67863880      -2.17524846       0.57666247
Cl       8.87271002       6.04912994       7.13974999       0.53129684       0.96699827       0.41369036
Cl       4.04931005      11.43379999       9.43532994       0.04451175      -0.42118294      -0.23750876
Cl       3.83646006       9.67217004       4.41821001       0.25817763      -0.04624301      -0.74550244
Cl       6.73346005       0.26651099       6.39105995      -1.28782629       0.90626978       0.00079073
Cl       9.11437000       3.15800005       5.94459995      -0.09520690       0.35751884      -1.47794651
Cl       8.77468002       8.34333995       2.35505995       0.50406514      -0.01908736      -0.11914520
Cl       1.55246003      12.39710003       6.43575996      -0.92498175      -1.18285977      -0.86078719
Cl       0.55560195       7.39487001       0.30512799      -2.14380947      -0.72718696       0.00526970
Cl       6.26680999       2.52416004       3.27814997      -0.59734081       2.27183323      -0.02799784
Cl      11.23730005       2.68212002       8.71585001       0.26823276      -0.24851022       0.31665920
Cl       3.18204004       7.01621999       8.62751995       0.32541457      -0.20713271       0.46714078
Cl       9.86938001       0.07989238       5.65088005      -0.46752127      -2.10973783       0.98212128
Cl       7.14471999       6.35915995      10.88209995      -0.09424358       0.19958907      -0.00906046
Cl       6.53804000       6.18718001       2.64272004      -2.34458389      -0.55254662       1.94324802
Cl       0.13841297       9.32788003       9.31380003       4.17518091      -1.12165406      -1.21874640
Cl       9.53973996      11.23990000      12.20990004       0.83950576       0.29124313      -0.18862917
Cl       5.60730000       0.56566602       0.01919119      -0.96230492      -1.19019470       0.35314448
Cl       3.08371005       2.27645005       9.86609000       0.73715968       0.34130809      -0.14274897
Cl       0.29244101      10.01510003       2.57721001       0.01744064       0.07275731       0.43552784
Cl       6.47445996       4.19274996       7.43071994      -1.96446443      -0.89716648       0.17564219
Cl       8.57598000       9.38538004       9.48545999       0.06336832      -0.05884441      -0.73508753
Cl      11.17819995       8.89854004       5.98239004      -1.10544557      -1.34224423      -0.35794248
Cl       0.86571495       0.23062099       0.21927096       1.28135228       0.85293974      -0.87910563
Cl       3.04377000       5.93900998       5.11901995       0.50815607      -0.03485233      -0.08384019
Cl      12.24729994       3.81525004       5.86473002       0.95203971      -0.31328605      -0.97038326
Cl       3.61698004       0.34875097       3.01313994      -1.11576816       0.77207697      -0.19159706
Cl       0.35179496       5.05946006       2.61551001      -0.11162236       0.99555955      -0.34256228
Cl       7.39881001       2.58086006      11.61310001      -0.93204049       1.39607904       0.27143153
Cl       6.50771999       9.09970006       6.46709000       0.29616816      -0.14251907       0.05595419
Cl       3.68622002       5.55159995      12.21959998       1.58710901      -0.09994007       3.08015892
Cl      11.77450000       1.70949001       2.73478997       0.02905294      -2.37608999       1.23835000
Cl       2.84174002       8.77636001       0.04918627       2.17126904       2.08315728      -0.34081770
72
Lattice="12.37506283 0.0 0.0 0.0 12.37506283 0.0 0.0 0.0 12.37506283" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.47370958 stress="-0.011309707347341167 -0.00023652151397065253 0.001971034859080126 -0.00023652151397065253 -0.013349395124315624 0.003186258040297077 0.001971034859080126 0.003186258040297077 -0.0033768164881213575" free_energy=-252.47370958 pbc="T T T" config_type=melt 
Li       8.13830996      10.95129997       7.61405998      -0.29608730      -0.47126256       0.26520090
Li       5.23454998      11.21690000       0.28675100       0.12309458      -0.02263054       0.25700133
Li      10.11650001       8.94996001      11.79469998       1.06950075       1.97711106      -1.31919077
Li       6.04132005       8.66828997       2.96700002      -0.69029445      -0.75990784       0.54878069
Li       1.08707997       2.13838994       5.73407001      -1.02760111      -0.85623347       1.21672898
Li      11.79589999       5.71509000       5.70971997       0.05222544       0.35076861      -0.36951057
Li       2.92095006      10.60339995       6.05147997      -1.45027576       1.83510151      -3.00759235
Li       2.78139004       9.02712001       0.41351396       0.33976561      -0.56770247      -0.04174580
Li       1.44442996       5.41837003       8.13564004      -1.85085450      -0.54802232       1.05086515
Li       4.56010002       9.43551998       9.92058000       0.48449199       0.46485527      -0.54206218
Li       1.16489003      11.41190006      11.29929998       0.69188334       0.21432934       0.31501335
Li       4.02962996       7.63833997       6.70399006       0.65226556      -0.16282623      -1.15694824
Li       0.58268404       9.22175995       9.20178994       0.27556132      -0.27607164       0.21041509
Li       1.71316001       2.59485998      11.82190000       0.98156453       1.15598127      -0.66314626
Li      11.22389996       9.28873998       4.47541004       0.13241546       0.21916097       0.46020008
Li       5.82338999      12.27560000       4.88039003      -1.17338044      -0.05427848      -1.18391797
Li       6.48722994       1.20658001      10.09910006       0.42300239      -0.68439249       0.23361373
Li       0.38444605      11.53929997       2.34739003      -0.03233607       0.05515891       0.02891373
Li      10.69230005       3.09488998       2.83605997       0.54970498       0.46716879       0.32915877
Li       8.42255996       6.90557996       5.84416005      -1.38496226       1.09337096       0.18066720
Li      11.94189999       5.80421001      11.27049999       0.88269284       1.12215528      -0.08181913
Li       7.82056995       3.94538004       7.73525998       0.95703440       0.99664523      -1.23671105
Li      11.57979996       2.78514996       8.73742994      -0.52897816       0.13340727       0.68019849
Li      10.27729997       1.63217995      11.74009996      -0.21644583       0.08041831      -0.03765806
Li       9.70051995       8.06877003       8.72947005      -0.43417993      -0.15909890       1.15795300
Li       2.06331997       7.79636000       3.50656996      -1.28286683      -0.59711542       0.13755532
Li       8.94333997      11.08240003       2.01313995      -1.52559513       1.43860379      -0.20513214
Li       7.31171999       2.25863001       1.68588005       0.13510586       0.55042872       0.03616380
Li      11.35710006      11.76790005       6.99396996       0.21589458       0.35254125       0.14375096
Li       7.25561999       7.93935001      12.18550001       1.25092559       1.51612400       0.65768900
Li       4.76454002       5.54779994       0.06887341       0.13018383       0.25730511       0.03097467
Li       9.04792002       4.59051000      11.96920000      -0.23731685       0.59278647      -0.38808739
Li       3.51757003       1.29431995       2.92048995       0.00551103       0.51534182      -0.31641968
Li       9.80802002       7.07418994       2.91822000      -0.26908832      -0.30180023      -0.31505453
Li       4.89276002       4.49513997       8.06954000       0.68145860       0.02535377      -0.08342001
Li       2.42424003       4.57777000       2.53082002      -0.19766630       0.13574891       0.25864839
Cl       0.52253604       8.17760994       5.90703997      -0.14060762      -0.18668798      -0.48584189
Cl       9.53282003       7.53439996       0.57780604      -0.21870226      -1.56773210       0.85306964
Cl       5.61951999       1.16522998       2.20166005      -0.57143795      -0.64350281       0.34040988
Cl       9.68281000       5.51107001       5.28949996       0.36327130      -1.82576974       0.43162095
Cl       5.35688997       8.56642996      11.80509998      -1.39903336       0.77526473       0.54468412
Cl       9.29504000       3.34439996       1.31178005      -0.07290745       2.76589449       0.40474920
Cl      11.86759999      11.89470002       4.81769995       0.13006574      -0.10613219      -0.06829112
Cl       0.19868795       1.84616001       0.55425295      -0.71284385      -1.14787479       0.97783414
Cl       0.07065431       0.81524501       8.49232004       0.40047510      -0.82886078      -0.16972208
Cl       6.62454995       2.96601001       8.95428002      -2.80126568       0.81927591       0.20600179
Cl      11.58999998       5.81806995       3.13870996       1.61441906      -0.29400992      -0.71373367
Cl      11.69069995       7.27139003       9.39391997       0.14444176      -0.22783721       0.14606918
Cl       1.64536001       4.78299000      10.46789995       0.62025627      -0.19742606      -0.05049990
Cl       2.59244003      11.10210001       1.00204002      -0.54604442       0.96134410       0.80988340
Cl       8.74766003       0.84108303       1.07051001       0.30662133      -3.50308597      -0.61923964
Cl       4.97858999      11.94790004      10.50070005       0.13311840       0.19162958       0.08142387
Cl       7.33347003       0.09043696       6.19830997       1.01045758       0.06388687       0.74805415
Cl      11.75449996      10.46050003      10.68949995      -1.26562379      -0.15676443       0.01548283
Cl       7.73622004       7.35332000       3.54876001      -0.50315087       0.07168501       0.18154441
Cl       2.89891997       7.09314000       1.65219996      -0.10540132      -0.71888459      -0.59805988
Cl       3.23957006       5.93744006       7.55447999       1.01187952      -0.45206537      -0.24523022
Cl       3.70893998       9.54353003       7.31866995       1.59770423      -0.73670998       3.86555291
Cl       3.52581999       8.90966000       4.24684003       1.60279511       0.73332382       0.43510373
Cl      11.97849998       3.58075995       6.73556998       0.45832196       0.66986341      -0.15535264
Cl       6.97384996      10.35350004       2.28320998      -0.54884723       0.73052992      -0.55047910
Cl      10.68480002      10.22899998       2.07047003       2.55757758      -1.05778818       0.40508620
Cl       3.33211004       0.00563721       4.60200000       0.30314802      -0.98807806       0.93997351
Cl       7.10232997       6.07641003      11.69569997      -0.47420528      -3.33099546      -0.69834249
Cl       8.95085003       1.60428000       9.67054000       1.26676530      -0.78094883       0.51591310
Cl      11.10769998       4.00351004      11.00840000      -1.42575615      -1.14565013      -0.59633590
Cl       3.86719006       3.72588998       1.14572997      -0.13704993      -0.13557379      -0.58054452
Cl       7.73501000       9.35416001       9.26858001       0.22225474       0.07980239       0.51643759
Cl       9.61508004       8.59962000       6.80785000       0.23500290       1.25402665      -1.96174574
Cl       6.61376001       5.77095005       6.74409999      -0.33786814      -0.25770965       0.49467583
Cl       2.52024998       9.64517000      10.66380004      -0.90250555      -0.50850578      -0.97484364
Cl       2.31476998       2.86972002       4.38397998       0.74832151       1.59354289      -1.69638448
72
Lattice="12.39356326 0.0 0.0 0.0 12.39356326 0.0 0.0 0.0 12.39356326" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.86892886 stress="-0.0076939000357182106 -0.0012588828059373967 -0.0031928086664039282 -0.0012588828059373967 -0.012096345601599732 -0.003539317030583399 -0.0031928086664039282 -0.003539317030583399 -0.00750056826069497" free_energy=-250.86892886 pbc="T T T" config_type=melt 
Li       1.30126998       6.63528003       0.37962302       0.03990568      -0.06381924      -0.88895049
Li       4.91893994      10.74269998       2.79482994       0.24683744      -0.24900265      -0.18611431
Li       0.50237606      11.71570004      12.17242330       0.27490744       0.07599541       0.00817687
Li       4.50280995       7.56961006       8.94977003       0.05236134      -0.24943949       0.61968870
Li      12.04890000       8.91133003      10.11620003       0.34421717      -0.28804190      -0.18382475
Li       6.77771999       3.23859994       2.25641997       0.14133185      -0.21596260      -0.43612810
Li       0.85831003       4.85767001       3.88293002      -0.02144653      -1.87120165      -1.51550700
Li       3.35478005       1.88858000       1.84375000      -0.71535194       1.44304769      -0.76095562
Li      11.69380000       4.37429006      10.05179998       2.02606806       1.30118965       0.12511402
Li       6.99927006       1.18455001       6.16569002      -1.84685665       0.79489192      -1.02660030
Li       0.86342398       1.16423002       7.82108996       0.31737147      -1.04377308      -2.85766127
Li      10.36340006       3.21906000       1.38493000       1.44322030      -1.81385841      -0.68573104
Li      10.52550006       7.41961002       7.00178000      -0.58523024       0.00204130      -0.59468603
Li      10.24609994       0.26004497       9.94860002       0.04892205       0.60532181       0.10861931
Li       2.82757002       1.51985005      10.84470000       0.12413573       2.39747774      -1.56248757
Li       9.40703997       9.77520006       0.60618504       0.23416598       0.15970598       0.03643292
Li       4.40330996       7.04330005       0.16567802       0.52842768       0.70269449       0.76671765
Li       1.62472005       9.51257005       3.99368001      -0.20838773      -0.22446951      -0.79501068
Li      10.26709997      11.45049997       6.79391999      -0.38815613      -0.54725640       0.17464386
Li       9.08912004       6.47651997      12.25130003      -0.42608045      -0.50930371      -0.22723282
Li      11.20990001       7.09325999       2.33756001       2.79097679      -1.45099879       1.42595463
Li       5.45125997       3.62680005      10.81770000       0.49931324       1.72053524       1.06323978
Li       7.20565003       0.10670300       0.27539303      -0.20972819       0.55192796       0.19819682
Li       8.09096997       9.98190003      10.26489999      -1.09164427      -2.98877685      -2.44685702
Li       8.82933001       4.83355994       3.99247003       0.33314250       0.41686385      -0.00606234
Li       4.60183997       0.50915199       8.16352994       0.28696413       0.20862933      -0.01021105
Li       3.85476998       6.87174004       4.21880004       2.46737222       2.13716415      -0.60764170
Li       3.10066999      10.52540004      10.01730002       0.01596958      -0.03805842       0.35605474
Li       9.55894998      11.50749996       3.58491006       0.05691823       0.35679253       0.13019641
Li       0.50667006       1.28439999       4.24050997       0.48184770       0.71235499      -0.34417601
Li       6.38774996       5.20102996       6.13389000      -0.63217226      -0.19631779       0.05119705
Li       8.76480998       3.48965994       8.32223001       1.07189229       2.65713050       1.40039949
Li       1.71365997       6.27625003       6.92408004       0.37777191      -0.76656147      -0.84228771
Li       6.71763005       7.97250002       2.81993000       0.57808670      -0.07973063       0.28053905
Li       3.38197004       3.40526003       6.05114003      -0.48471826       0.37153085      -0.01060581
Li       6.98904004      10.25939997       5.41024000       0.18350723      -0.91221751       0.27299421
Cl       1.07703002       2.68375994       2.35386002      -0.11266043      -0.09321822       0.52887832
Cl       2.68826005      12.03849994       8.33426999       0.39043476      -1.13725472      -1.11207150
Cl       4.05446994       5.97836999      10.88030001      -1.09833164      -0.81835232      -1.09220956
Cl       2.59504000      12.21529995      11.62019996       0.17198136      -2.80813483       1.96420792
Cl       2.63016001       5.47754002       4.46328997      -0.01009392      -2.12323990       0.97693901
Cl       8.90002995       1.73684994       2.11127002      -0.52650754      -0.56176351       0.26312523
Cl      11.79859997       5.90071998       4.59592997      -2.36320780       1.21039917       0.59120449
Cl       8.70808997      11.30180002      11.37779995       1.67236838       3.23175719       1.80280040
Cl       9.51820998       4.90628996       1.72710005      -1.21453543       1.49045052       0.78585392
Cl      10.20759996       7.77177003      10.78550004      -0.12933653       0.41812594      -0.27869084
Cl       4.69881006       8.14796003       2.21890998      -1.03908648      -0.15916516      -1.77271823
Cl       0.13570506       7.15718995       7.80251994      -0.80024282       0.72497019       1.01367292
Cl       8.19794996       1.95230002       7.44879005       0.75392801      -1.24723770       0.87569841
Cl       8.06818998      12.00810002       5.73880006       1.07757817      -1.06254384      -1.29111022
Cl       2.03057999       8.58339994      10.98199998      -0.47457742       0.44431197      -0.21799508
Cl       5.14124998       9.36912000       4.74743001      -0.26427714       0.52089457       0.92958660
Cl       6.94558002       5.66243997      11.37900002       1.07937997      -0.22782272       0.36879669
Cl       1.32490005       7.53838002       2.33760995      -0.30225820       0.75920346       0.44715185
Cl       9.62178002       7.84409006       1.67527005      -2.87503942       2.16187795      -0.44568331
Cl      11.05589995      10.85320000       8.99964000       0.11073833      -0.12165727      -0.35305556
Cl       3.80673997       6.09380996       7.28298004       1.15166392       0.16967475       0.34684401
Cl       4.87743997       2.02158004       9.74082998      -0.27214366      -0.80183059      -0.67030071
Cl       9.16236005       9.18172003       5.99005005       0.41274525      -0.37719528       0.01852317
Cl       5.46508003       2.71381000       5.92522998      -0.38902752       0.27075629      -0.25676663
Cl       8.52335995       5.43785001       6.12432997       0.85899447      -0.20743195       0.94074334
Cl       7.22153002      10.80189994       1.67271995       0.01542811      -0.56178919       1.04121329
Cl      11.57089997      12.33279997       5.25732004      -0.10318652      -0.41822682      -0.21340925
Cl       5.33692997       2.16921006       0.76056398       0.57779935       0.47927249      -0.19885149
Cl      10.17010001       3.21834997      10.15119995      -2.25403511      -1.62475730      -0.06343663
Cl       6.22928003       6.01563000       4.03424997       0.09223254      -0.52887952      -0.53827551
Cl       0.17533199       4.79844005      12.09121125       0.02950357       0.23776435       0.09851374
Cl       1.18297999       2.80654000       6.57764996       0.35715164       0.68042979      -1.07133059
Cl       5.95391997       9.79316998       9.80377999      -0.76153262      -0.22780374      -0.36482344
Cl       0.74870594       1.35471004       9.63920004      -1.53669091       1.28544713       4.17235472
Cl      12.05559996      10.82330003       1.59101997      -0.63855393      -0.02697262       0.23189062
Cl       3.71976999       0.21409496       2.76507002       0.05753511      -2.05656381       1.51329602
72
Lattice="12.34041567 0.0 0.0 0.0 12.34041567 0.0 0.0 0.0 12.34041567" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.01203597 stress="-0.012995771115174172 0.0004398854101666342 -0.0018949676462536485 0.0004398854101666342 -0.011464049276183273 -0.00395826892470406 -0.0018949676462536485 -0.00395826892470406 -0.014718786420828543" free_energy=-249.01203597 pbc="T T T" config_type=melt 
Li       3.05293998       8.87173005       3.87011996       2.14696704       1.34066729       2.17538477
Li       0.07296875       7.40567003       4.30988005       0.41104311       2.17947947       0.31855887
Li       6.75212001       4.26135001       0.83892799       0.32982491       1.14419138       0.70645852
Li       6.30667000       3.00025998       6.32475994      -0.48937289       0.28051282       0.22613214
Li       8.69927002       9.38650000       8.21623999       1.65599599       0.70036530      -0.22360758
Li       5.74765004       7.36702997       7.65802005       0.98180090      -0.58624205      -1.01974265
Li       6.36084998      11.32900001       7.04341997       0.12548991       0.66344551       0.34621538
Li       2.71745998       0.40048894       5.40448998       0.10607141       0.09991058      -0.18133477
Li       0.41370799       5.41791006       1.60797998       0.18089663      -0.29403656       0.02158235
Li       3.26073999       0.60873999       9.47576995      -0.41982964       0.74307054       0.66813042
Li      10.24049995       0.37794300       7.95407995      -0.06692973      -0.37502720       0.11807283
Li       0.34660205       2.02912998      10.99140005       1.83622741      -0.50757632      -0.02708806
Li       8.06182005       4.38429005       8.69197005      -2.00574924       0.47771626       1.33703379
Li       7.11795003       1.01292995      11.15300002       0.40227963      -1.83280443      -1.06444814
Li       5.52042004      10.29990005       9.94821005      -0.22583809       0.18355655       0.07410762
Li      11.10359998      11.97259996       2.08255004       0.52723191      -0.95930069       0.31279358
Li       6.37420996      10.08260001       1.24723002      -3.00531304       1.97449154       1.03928994
Li       6.29886000       7.30650998      11.12840002      -0.33463541      -0.03902696      -0.08020295
Li       8.87278996       9.53786001       4.88772002       1.01998729      -0.09594304       0.11477420
Li       2.65959997       8.70823003       9.16647001      -1.39902039       1.40148727       0.84113551
Li      12.17310000       9.44468000      11.49420005       0.78220030      -0.14616137      -2.06407839
Li       6.40945999       6.50057002       4.15734005       0.14744055       0.27575681       0.01037754
Li      10.89240006       6.40302002       7.78393006      -0.61709568       0.70015427      -0.38653613
Li       9.60963001       3.61226994       3.29838999      -0.06187496       0.04902373      -0.42645994
Li       8.98116004       9.76579995      12.33413909      -0.46873211       0.06513529      -0.35813531
Li       0.31646700       3.96128997       5.85400998      -1.23321124       1.56469587       1.56740108
Li       2.69895997      11.62499994       1.07905002      -0.01509406       0.28876505      -0.12455489
Li      12.28079999      10.66399994       4.89421996      -0.36133531      -0.06455232      -0.03432743
Li       9.79587996       7.04624000       1.31205002       0.24761941       1.72749132       0.06692924
Li       3.85485006       2.91671006       0.49583099       0.38021146      -0.12247046      -0.56232395
Li      11.38190004       5.03818004      10.17750003       3.48493190       0.02127603       2.65921652
Li       3.55661997       4.32066002       3.63390997       0.80257000       0.08186461       1.17063137
Li       0.93162401       2.22677001       2.73832997      -0.61416280      -0.57645780      -1.18933049
Li       3.21623996       5.32410994       9.35622994       0.46297129       0.38097698      -0.27404737
Li       2.82332002       8.06598001       0.14501198      -0.79699851      -1.52861461       1.65013008
Li       5.90716003       0.57736498       3.64751997      -0.02506533      -0.40084789       0.34006937
Cl       6.32015006       2.57076995      12.07069997      -0.94764245       0.35150935       0.44208617
Cl       5.13655006       0.75600003       8.61248000       1.26370395       0.19246011       0.08464478
Cl      10.97610004       9.06479005       0.61394197       0.16252599      -0.01756766       3.97002621
Cl       2.95579006      10.96469996       9.17929997      -0.71422689      -1.31511280      -0.53199239
Cl       9.95260003       8.92992004      10.54039994      -0.36936866      -0.11461270      -2.69963712
Cl       0.35500402       5.22886994       8.11601002       1.58739687      -0.28550981      -0.43783970
Cl       7.33153005       8.11492000       8.97981000      -1.46183712      -0.76078814       0.90521757
Cl       1.93887996       7.99598998       2.65274005      -1.51680795      -1.76745777      -2.29369927
Cl       7.11306002      10.80029996       5.02819998      -0.49317067       0.47970032      -0.41641523
Cl       8.19919998      11.58909994       8.68317997      -0.33282002       0.23123445      -0.09190814
Cl       4.67688994      11.89970006       1.98997002       0.20427917       0.04114616       0.33369760
Cl       0.74663402       0.01048429       3.39964001      -0.27934858       0.60797643      -1.79781383
Cl       8.99880005       5.20073997       1.43253000      -0.30361147      -1.28252468       0.06723220
Cl       4.99509003       5.70049003       0.16378002       0.15660884       0.23952327      -0.18221222
Cl       6.77729002      10.86260005      11.84409995       0.94382071       1.68805459      -2.16477972
Cl       6.55995000       4.39412005       3.65716005      -0.57174959      -0.51516890      -0.15626584
Cl       4.05011998       7.43428005       8.69614000      -1.19027546      -0.15380251       0.45386051
Cl       4.96766000       1.48445995       5.58179004      -0.67924381      -0.36847263      -1.06465624
Cl       5.46443996       5.03497005       8.47134995       0.57786187      -1.47279939      -0.00540991
Cl       1.34141997       2.91272003       4.60994997       1.82997332      -0.85005840       0.75943777
Cl      11.87140003       3.25914006      12.20978867      -0.77769440       2.63901100       1.60619468
Cl       2.50955002       3.93064995       1.95061002      -0.70075577       0.07961623      -1.28891546
Cl       2.19968995      10.59580002       4.94268003       1.12976646      -1.01240594       1.36015077
Cl       2.47000997       1.37768006      11.70210002       0.32489877      -0.29082262       0.16102823
Cl      10.56560006      11.25789997       6.21832003       0.12555249       0.58268980       0.04526758
Cl      10.40719996       1.51057004       2.48887994      -0.93221456       1.37782452       0.27343297
Cl      10.02500001       8.04916002       6.37424994      -0.38599304      -0.75591835       0.86563445
Cl       3.98985001       9.23593002      11.52739996       1.79384850       1.34498716      -0.27485616
Cl       7.57812006       8.73360994       1.55775004       2.43153648      -3.29654556       1.10259692
Cl       5.23278001       7.84469994       5.42948006      -0.22842493      -0.09880667      -0.40220099
Cl      11.65769994       1.04547002       9.69319005      -1.12149629      -1.21251646      -1.75486293
Cl      11.88530003       5.59440996       3.87955001      -0.73374066      -2.42312719      -0.60695285
Cl       1.27340996       7.51710004      11.16349999      -0.86193245      -0.43187100      -0.55630213
Cl       8.16552002       3.71167001       6.88458006       0.95573930      -0.92709776      -2.35125019
Cl      11.08590000       9.03286996       3.65787999      -0.16412837       0.61044418      -0.03937589
Cl       9.94301005       4.86349998       9.10822004      -2.61253222       0.07183660      -1.06136929
72
Lattice="12.35936512 0.0 0.0 0.0 12.35936512 0.0 0.0 0.0 12.35936512" Properties=species:S:1:pos:R:3:forces:R:3 energy=-248.92352263 stress="-0.017497973004999674 0.00021057421860989374 0.0024907433476387924 0.00021057421860989374 -0.009097391499023427 0.001294442655744437 0.0024907433476387924 0.001294442655744437 -0.008457715294356143" free_energy=-248.92352263 pbc="T T T" config_type=melt 
Li       9.69958006       2.67145996       9.30048998       0.01256969       0.19778411      -0.42437832
Li       2.44883999      11.15209999       4.74176003      -0.16672871       0.58013046      -0.17436023
Li       3.27634002      10.07999996      10.20360004      -0.21440578       0.22970837       0.04130783
Li       3.66311004       1.65178997       6.32161998       0.10294064      -0.72912819      -0.13434318
Li       5.38721997       4.18462000      12.24340004       0.17847812      -0.34416722       0.65157049
Li       1.34738004       4.49202003      12.18199995      -0.21895431       1.88290538      -0.66993613
Li       3.44762006       7.85945994       2.15467004      -2.06051723       0.30706495       0.39031788
Li       3.18468000       3.34189002       2.71000005      -0.42524554       0.63793667      -0.07266102
Li       4.04278998       5.50133003       5.96054002      -0.30460138       0.51042310       2.67910056
Li      11.55969998      11.42070001       4.07332997      -0.35928153      -0.43482975       0.21044759
Li       0.25366497       1.45129004       1.56887000      -1.11978369      -1.60073019       1.29281272
Li       6.10714001       5.72447997       3.28875995       0.70555475       0.31895882      -0.09376511
Li      12.04209997       8.12919999      11.96330000       0.19708304       1.49708125      -0.37336546
Li       9.20465003       9.96534003       7.75143995      -0.03212968      -0.46776259       0.20075281
Li      10.77840000      11.51090002      11.14849995      -1.49611332      -0.80108288      -0.81807461
Li       5.23174002       0.88727104      12.27589998      -0.59118818       0.06768370      -0.25631216
Li       0.07286958      11.18000002       7.71110999      -0.29994015      -0.03782398       0.46890720
Li       6.06248995       1.25894001       3.35085006       1.54094051       0.05395800       0.71106087
Li       2.21261000       1.77628005      11.00930001       0.24211567      -0.49798087      -0.75831341
Li       3.36590995       6.57028003       9.60927006      -0.33902020       0.85655725       0.30402041
Li       7.18246002       8.96842004       4.82999997       0.20865593       1.10833092      -0.30199588
Li       1.14272997       5.83329998       4.29674997       0.00474898       0.00408635       0.18213814
Li       0.53734503       5.26149000       8.46428994       0.61502372       0.59195095       0.04632742
Li      10.73260002       3.91108006       4.16825002       0.05083069      -0.65843589       0.16902914
Li       6.33635000       7.51474996       9.60597999       1.53189789      -1.60302838      -0.84876811
Li       7.26838999       8.59156001      12.28320004      -0.26465430      -0.18342499      -0.18440322
Li      10.26129998       7.83292995       4.49038995      -0.01949191       0.69702882       0.21435668
Li       1.62619002       8.50589997       6.65586999      -0.44141754       0.23431949       1.52547084
Li       9.98432006       6.03170005       1.50203006       0.86067982      -0.65075036       0.39467322
Li       6.02870995      11.18989999       8.21385003      -0.31948271      -0.06832345       0.23712645
Li       5.91219006       3.87245000       9.03942002      -0.30784801      -0.05159636      -0.03816932
Li      11.90729996       2.01163004       6.89269001      -0.31403094      -0.08982329       0.11255211
Li       8.25282998       5.11867000       6.71874999       0.02651371       0.23531264      -0.13993802
Li       7.67908996       0.88959200       6.38278005       0.42356646       0.23252963      -0.01369931
Li       9.55865005       6.50143997      10.32549996       0.26167907      -0.04612193       0.03267016
Li       2.04578997      10.80720004       0.87077104      -3.87606773      -0.71819746       1.58659180
Cl       4.12973997       1.59089995       3.22999005      -4.37186079      -1.98137379       3.44750794
Cl      11.23030004       9.60232002       6.58948005      -0.00787560       0.16914107       0.04845417
Cl       1.24887998       2.59038005       0.37072904       0.52618783       0.20336174       0.46448783
Cl       7.28434000      10.54789994       6.33401000       1.44009395      -0.81458522       0.82979939
Cl       4.19859004       0.53566700       9.29957996       0.08923250      -0.36527385       0.11275629
Cl       4.11026000       5.54024003       4.05290995      -1.06694258      -0.29005400      -2.59529281
Cl       3.66525995       3.32596003      11.34580004       2.77634352      -1.57906419       0.94721774
Cl       7.42010997       4.02253002       3.86291005       0.39027291      -0.48603403       0.25538125
Cl       9.91274005       9.93231000       3.49804998      -0.44117197      -0.30319802      -0.13845027
Cl       5.68320995       2.38134006       1.53453000       2.78917079       1.37717869      -3.72956637
Cl       1.04323003       3.59725996       3.65911994      -0.17646969       0.02974354       0.09834787
Cl       5.31946000       7.72511995       1.60958002       2.21336386      -0.22848973      -0.59845400
Cl       7.57898998       2.47419003       8.10592002       0.03771907       0.40426843       0.04820792
Cl      10.18649999       2.10389999       5.22990997      -0.01034987      -0.78338505       0.04516139
Cl       7.43506999       9.50184999       9.84751004       2.68887735       1.15760258      -0.08233469
Cl       9.22410997       6.82272006       8.18599004      -0.42972167      -0.20458813      -0.32372775
Cl      11.51429996       9.94606004      10.20979999       0.72613603      -1.70373379      -0.58799072
Cl       3.71320996      10.90849999       0.18413489       3.84887341       0.81268244      -1.78163626
Cl       4.92539004       8.73646998      10.04570000      -2.40048218       0.11814917       1.57726185
Cl      10.86229994       0.90269701       8.80443005       0.19382616      -0.84557111      -0.43726916
Cl       1.47358004       0.33363488       6.64100995       0.21927497       0.17684497      -0.38522031
Cl       4.70801996       5.83835002       8.15419001       1.18036879      -0.84280782      -0.97809485
Cl       0.96955104      11.34860005       2.74506999      -0.04498856       1.16870594       0.01714405
Cl       2.10373005       4.85093995      10.08450001      -2.33183363       1.61316520      -1.66581187
Cl       8.99551004       6.96933006       0.06663490      -2.34150131       1.64564314      -0.62940920
Cl      10.84649998       5.90390001       3.48450003       0.35231926       0.77075456       0.31187677
Cl       7.10679994       6.98563997       5.07223005       0.29085445      -0.93557079       0.34660113
Cl       5.61588997       0.29828994       5.86400003      -1.37519073       1.44128303      -0.27167032
Cl       1.64997005       6.44935995       6.52299000      -0.34453170      -2.24064497      -0.45898452
Cl      11.26630003       4.06727994       7.86004998      -0.49468737      -0.25487469      -0.05674157
Cl       1.25243997       8.25915995       1.13556994       0.90039612       0.25738925       0.40133971
Cl       6.69975006       4.94549997      10.77769996       0.85141342       0.65402228      -0.20257921
Cl       1.83903002       9.09350003       4.79623999       0.64712134       0.28298614      -1.81177855
Cl       2.45593995       8.51365004       8.66143999      -1.15109873       0.81848273       0.11754341
Cl      11.70149997       6.14857997      12.00619997       0.43610449      -2.35510119      -0.32321246
Cl      11.48499998       0.63773298      12.03896712       0.59838033       1.85240240       1.84038534
72
Lattice="12.28774354 0.0 0.0 0.0 12.28774354 0.0 0.0 0.0 12.28774354" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.5581415 stress="0.0006813200528759083 -0.0013947748150788647 -0.0028351092451542035 -0.0013947748150788647 -0.013688653033177503 0.004362717623797198 -0.0028351092451542035 0.004362717623797198 -0.008418403130402239" free_energy=-253.5581415 pbc="T T T" config_type=melt 
Li       9.52763999       8.90135004       3.86651999       0.04926448      -0.46446975       0.37261906
Li       0.18805494      10.33259999       0.89806805      -0.54064689      -0.21473192      -0.02027574
Li       7.04747004       8.94993001       7.30185004       0.09110616       0.06506732      -0.48931770
Li       1.23056996       1.24250001       9.27283999       0.30223990       0.08212518      -0.74440972
Li      11.18230004       5.05101006      10.34980001       0.46927368      -0.19103740      -0.78541887
Li      10.87189996       0.59775903      10.58739999      -0.33113820      -0.57871404       0.21496507
Li       2.26576996       1.90533002       2.99009005      -0.36766425       0.12925154      -0.14925247
Li       4.51256003       6.00525005       4.79810999       0.33794015      -0.09170640       0.10104872
Li       5.60121000       2.71506000      11.94980000       0.01099542      -0.17823102      -0.79467162
Li       8.81469995       3.37530995       8.71498995      -0.18413230       0.20795945       0.09341760
Li      11.36159997      10.95709998       6.42921001       0.04676065       0.52927065      -0.16729200
Li       7.08546005      10.92520002       1.19762001       0.03644656       2.13939351      -0.33391266
Li       5.62797995       2.32417004       3.36977998       0.23913970      -1.40316306      -0.41118363
Li      11.91940000       2.73084004       6.43635005      -1.00209013      -3.86846308      -1.32511060
Li       3.23277999      11.78640004       5.71199998      -0.70565496       0.06387291      -0.00252860
Li       1.14477006       8.57743996       4.68841005      -0.81943699      -0.33962458      -0.43591709
Li      10.96290004       6.02131996       1.84699002       0.79307337      -0.30893963      -0.15518996
Li       8.30327005      12.19949997       5.37102996       0.27100393      -0.41157516      -0.33742609
Li       7.86681997       5.73721000       0.20112505       0.82627197      -0.85742009       1.42197958
Li       1.56338006       7.66061001      11.50230004       0.22640026      -1.36413559       0.10162614
Li       4.70441004       2.15437002       8.26227999      -0.23681094       0.73527171       0.24210331
Li       4.54920995      10.69870004       8.66544994       0.12012283      -0.00869670       0.24538185
Li       6.00471996       8.66709994      11.49910006       0.19918471      -0.04540696      -0.11488098
Li       0.02819927       3.15940004       0.34536596      -0.15662366      -0.35730144       0.17279138
Li       1.91808003       5.78680997       8.68240998      -0.11380469      -0.32336172      -0.26802748
Li       0.59023906       4.44645996       4.28319001       0.21469650       1.35295984       1.59197648
Li       8.40513004       5.18607005       4.53875996      -1.40463208       1.49065049      -3.05367002
Li       2.53362004      12.03099999      11.72220002       0.81655751      -0.77336319       0.52789084
Li       8.41621002       2.11004997       1.19518003       0.20739292      -0.31803460      -0.02054488
Li      11.39570005       0.37697298       3.03891995      -0.30437507       0.00958761       0.28548583
Li       3.40685001       4.59999003       1.60295998      -0.44511840       1.07349490       0.20420004
Li      12.11850002       9.36495997       8.99599000       0.62392796       0.39442116       0.40285449
Li       6.76722998       8.06599004       3.05014001      -1.12927297      -2.79047015       3.91464189
Li       5.09956004       5.75488998       9.55458001       0.25736990      -0.01995602       0.33710774
Li       7.43823994      11.89939997       9.68138006      -0.64695788      -0.59017093      -0.68354623
Li      10.53550001       6.76036003       7.40906994       0.35090904      -0.33483780      -0.63539078
Cl       1.94084995      11.02329996       1.79942994       0.60142874       0.81142638       0.39541089
Cl      10.43359996       0.65990798       5.19841002      -0.70168255      -0.41149765       0.60759016
Cl       1.20317997       9.58333996      11.22229996      -0.32880417       1.53042948      -0.56401732
Cl       0.83083799       0.92311698      11.35420004      -0.53218471       0.27864290       0.84646295
Cl       1.88406006       9.97206003       6.02290999       0.04360727       1.13105338       0.91347603
Cl      10.72269997       2.03468998       1.54244997      -0.17825884      -0.03495415      -0.55322477
Cl       9.04880997       4.60546999       6.14390998       1.28231224      -1.62871182       4.21404633
Cl       9.16132994       6.39001997       2.77651002      -0.87501121       0.13185970       0.18360074
Cl      10.81910002       9.96169003       2.51739002       0.61362618       0.52800486      -0.62486941
Cl       7.21183999       9.01064006       1.62081002       1.35108662       0.50464798      -3.25670277
Cl       3.68545997       0.61412201       9.50472998       0.28118811      -0.47322305       0.00544445
Cl       6.78540995       7.08073996       5.09038994      -0.47273374       0.23972944       0.25653140
Cl       0.91109699       4.43301999       2.27338001       0.68923275       1.22373490      -2.51636272
Cl       4.03152006       2.72603001       1.13935005      -1.40859446      -2.35332798      -0.96606613
Cl      12.19569999       7.28837002       9.10894004      -0.18309914      -1.50107372      -0.01690508
Cl       7.73858999       0.36538306       2.66360999      -0.50264683       0.22471999       0.47043160
Cl       8.35308997       0.27477803      11.38139995       0.94653495       0.60779173       0.44153206
Cl       5.51917997      10.87639998      11.88140003      -0.58792757       0.10811958      -0.62082698
Cl       6.48823001      11.29010004       7.29403995      -0.17791565       0.68920649       0.34511775
Cl       6.84828006       3.76890997       0.99684602       1.70253478       0.34982919       0.40898442
Cl       4.97734995       4.24017995       3.34741002      -0.43844251       2.51531086       1.58297305
Cl       5.60092996       8.58986005       9.05390005      -0.55409798       0.17181461      -0.32457165
Cl       3.78315994       1.15687004       4.34136006       0.65565695      -0.19081745       0.41621434
Cl       7.06476000       6.61067000      10.90870004      -0.65179547       1.37810099      -0.81964031
Cl      10.29690004       5.86716997      12.01829999       0.05999118       0.15469685       0.30512994
Cl      11.14680001      11.18600000       8.81249000      -0.69513993       0.63409469       0.11922077
Cl       3.73690998       4.40552002       8.31021005      -0.12922508      -0.04363178      -0.49281868
Cl       2.65502995       7.12660999       5.05615997       0.31534337      -1.10718346      -0.27601893
Cl       0.22082206       4.32817998       7.08264002       1.22974747       3.98191133       1.75329445
Cl      11.03760006       2.74308994      10.12780005      -0.72950476       1.23371432      -0.69785606
Cl       1.12538995       0.81106197       7.12848006       0.12624406       0.17344953      -0.13116753
Cl       9.24913005      10.05590004       5.83406999      -1.12097138       0.19381225       0.40994804
Cl      10.89250000       7.64586005       5.39443000       1.08533840      -0.51685683      -0.04079025
Cl       6.44874003       3.81472998      10.05190001       0.46283168      -1.39950618      -1.06574078
Cl       0.05123375       2.53491001       4.23488996       0.74034072      -1.52649261      -0.01079534
Cl       2.82124994       5.88630002      11.28139995      -0.02072768      -0.04833977       0.00084241
72
Lattice="12.29958202 0.0 0.0 0.0 12.29958202 0.0 0.0 0.0 12.29958202" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.14835662 stress="-0.005667976502781334 -0.002128839071623033 -0.0036437015084423334 -0.002128839071623033 -0.011773153867756151 0.0024698359086179475 -0.0036437015084423334 0.0024698359086179475 -0.008617775119640543" free_energy=-253.14835662 pbc="T T T" config_type=melt 
Li       2.54938000      11.24710002      10.09919996       0.58539748       0.49479859      -0.79431696
Li       5.50258996       2.76735995       5.96113006      -0.74190937       0.31413518       0.02949548
Li       0.82447604       4.77617000       1.21985004      -1.39973179      -1.66377588      -5.41319993
Li       7.20186995       5.06818003       1.89286004      -0.14059181      -0.18516799      -0.47955440
Li       3.55607004       2.86230006       9.27837001       0.12367331      -0.04939437       0.40817350
Li       6.39200004       7.59559999      11.97440001      -0.32449453      -0.31942074       0.27678946
Li       7.03241996       1.71133002       8.68322005       2.50457820      -1.04466017       0.29167808
Li       4.93187004       8.33560004       7.24073995      -0.51924798       0.89738127      -0.18388338
Li      10.22449998       7.49153003       8.32889996       1.10060308       1.72358322       0.38523644
Li      10.52250004       3.77256998       8.34984996       0.18167947       0.44780767      -0.24504535
Li       4.24582002       4.53804001       0.09251118      -0.11820594       0.94482148      -0.92799774
Li       9.74158002       5.44262999      11.79800002      -1.80481404      -0.86064624      -1.08065424
Li       1.40050999       6.55589000       9.16456001      -0.43045725      -0.23497738       0.17821094
Li       6.64862995       7.01525995       4.66658995      -0.23950856       0.71647114      -0.05653302
Li       5.46060004       0.23740604      11.47070003       1.58226942      -1.70515389      -0.09184130
Li       0.76458605       8.64829994       5.87247996       0.93574553       0.72957627       1.17196141
Li       5.24415999       9.92526997       2.26302002       0.34489453      -0.07308852       0.66332806
Li       7.12532006       5.77202005       8.58579002      -0.16371750      -0.57225602       0.83289645
Li      10.83159997       9.07594004      11.40739998       0.17872570      -0.29974370      -0.63190210
Li       8.57607999       9.41190005       1.68892006      -0.10439948       0.36344556      -0.09301508
Li       4.89583005       2.01472000       1.50134996      -0.50949175      -1.06063594      -0.21916744
Li      10.74950001       0.37188598       5.66869999       0.55496219      -0.02462692      -1.08238141
Li       1.95839996       0.82733901       0.70394505       0.32112559       0.44279796      -0.04391015
Li      11.64090004       7.08387994       2.67208997       0.16419423      -0.44342604      -0.45205922
Li       3.54119996       5.81624000       3.56397006      -0.33270448      -0.24145172      -0.28093117
Li       1.17884003       4.54366005       6.15275004      -0.14899774      -0.03091862      -0.13144610
Li       2.13721006       1.64700997       3.97127994       1.49292620       0.81350200      -0.67908690
Li       7.70661995       1.01273996       2.86584996      -0.10787932      -0.14319730      -0.56536337
Li       8.63073995       3.63170004       4.74155996       0.94862396      -0.98970717       0.30185541
Li      11.30250005       2.77901000       3.06315998      -0.09838789      -0.70153936      -1.09123326
Li       9.38253000       1.48362995      11.81730003      -0.34789831       0.54632572       0.19490329
Li       2.83608006       8.91624006      12.11489998       0.08071654       0.18062808      -0.35358261
Li       7.34304000      10.22549994       4.96926003      -0.27064207      -0.23409919       0.11861553
Li       9.44201004      10.85060000       8.40010999      -0.53631489      -0.38957490       0.19341249
Li       6.62111001      10.09260000       9.67952002      -0.17353404      -0.13334605       0.14990767
Li      11.62899995      11.84280002       1.74484995      -0.03903864       0.58417878       0.68173944
Cl       7.01116997       5.23377005      11.07880004       0.33778258       0.67032793       0.29724136
Cl      10.67019993       9.99271005       0.96730702       0.03381140       0.14059855       0.79993698
Cl       1.61754005      11.11679997      11.90019996      -0.77124019      -0.63763713       1.19114368
Cl      11.52670002       3.35056997       5.09507000      -0.77487751       0.24071627       0.87167273
Cl       5.97889004       9.77713995       0.17856004      -0.11185944       0.70579185      -0.71378302
Cl       2.25924995       3.95209001      11.99670002       0.51232286       0.34619033      -1.25891679
Cl       5.04971996       3.92112003       1.85907998       0.72495027       2.25115600       1.71768126
Cl      11.76940005       7.86264999       4.64506002      -1.43012939      -0.44481785      -1.01677531
Cl       9.08725996       2.50210003       9.33364999       0.44712154      -0.36228200       0.57024732
Cl       6.54529994       1.15622996       0.66001894       1.63983119      -0.36948945       0.06134845
Cl      11.34959994      10.13410002       7.42179004      -0.25815603       0.27313942       0.07013010
Cl       3.06662994       3.16094006       5.11528005       0.74382604       0.97194748       0.94697406
Cl       9.78005003       0.36257495       3.19364994       1.54717333      -0.42798894       1.12053998
Cl       7.52665001       5.15907997       4.03497001      -0.23324132       0.42932673       0.18906884
Cl       0.66246705       0.42968405       4.13820003      -2.02450145      -1.83511821       0.34455249
Cl       7.48192996      10.78639999       3.13645996      -0.67603703       0.89245153      -1.80385765
Cl       6.10756003       6.63561995       6.92290006      -0.26940738      -0.47783657      -0.36535366
Cl       3.96968001       7.01703995       0.05622828       0.12047600      -0.08564966       0.09308323
Cl       8.77911005       9.25436996      10.49629996      -0.12460161      -0.19690146      -0.76542933
Cl       7.10079002       1.93968000       4.81888005       0.27476917      -0.34525025       0.33286767
Cl      12.20290005       7.51982005      10.68740004       0.83109778       0.74362146      -1.92621680
Cl       4.50560994       8.75396995       4.39175997       0.07491058      -0.44204970       0.01894402
Cl       3.59666001       0.66629099       2.39970995      -0.62540257      -0.75519419       0.23186012
Cl       5.89431996       3.06003995       8.25991997      -3.28546496       3.17695551      -1.11182844
Cl       4.10573996       9.79070996       9.66574006       0.33176949      -0.51930669      -0.61804273
Cl      11.26459999       6.08023995       0.50947304       0.55409644      -0.03547844       2.53495834
Cl       1.81210000       6.95110005       6.98721002       0.53937651       0.09202985      -0.04001651
Cl       0.17732701       2.30001999       0.79675106      -0.97048749      -1.16087078       0.68556341
Cl       7.16004006      12.23039995       9.43299998       0.13591995      -2.00122482       0.96192342
Cl       1.27480002       5.22120996       2.84446997       1.76705559       1.87112638       5.56634066
Cl       9.15145997       2.67530004       1.59047002      -0.05976118       1.54745624      -0.58402244
Cl       3.86377003       1.19508003      10.95499995      -2.10502589       0.99633644      -1.22265969
Cl       0.39868296       4.23346005       8.35168998       0.46844591      -0.07095716       0.28252880
Cl       7.27218002       9.90892001       6.88477996       0.09737287      -0.33333029       2.24875737
Cl       9.21120999       5.82512005       8.04806004      -0.02386610      -1.40270076      -0.32971112
Cl       7.22758998       7.81241997       2.35439005       0.01380201      -1.24373238      -0.36184930
72
Lattice="12.25726594 0.0 0.0 0.0 12.25726594 0.0 0.0 0.0 12.25726594" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.67721871 stress="-0.009560928527562247 -0.0022346515381133692 -9.881110356044962e-05 -0.0022346515381133692 -0.003657208689685057 -0.0017890995804000188 -9.881110356044962e-05 -0.0017890995804000188 -0.009305392761601831" free_energy=-251.67721871 pbc="T T T" config_type=melt 
Li       1.57234001       7.63556000      11.82410005      -0.60665273       0.46104633      -0.47214002
Li       3.01891006       0.55515204      11.15100001      -0.06004681      -0.05940379      -0.27989330
Li       1.73179000       7.78881995       8.22409005      -0.02946612       0.37412873      -0.98578823
Li       6.31382996       9.27449999       5.32950998      -0.22245035      -0.01594189      -0.25390239
Li       3.04844002      10.52619997       6.55140997       0.50583682      -0.06204402      -0.02257247
Li       7.63023005       8.23801001       8.18820997       0.17847311       0.17447943      -0.62631571
Li       8.38269000      11.75429994       6.32157999      -1.88289295       3.89155884       0.00947814
Li      11.10069999       9.73427003       6.15976998       0.39803695      -0.17117332       0.28711595
Li       5.08052997       6.27757996       9.55630005      -1.45650882      -1.92817834      -0.02475420
Li       2.46339998      10.14609995       1.43331994       0.13749290       0.38632402       0.11649747
Li      10.17070004       3.65322001       7.16772001       0.05775755       0.10827916      -0.40846474
Li      11.97130000       1.25775005       4.61756997       0.26103044       0.14721580      -0.36408431
Li       9.62706002      12.23533879       2.43493003       1.06719191       0.21063056      -0.69315259
Li       1.12221006       1.77909999       7.35291002       3.89555388       0.81994447       0.85180815
Li       5.11236001       5.24557994       5.00160997       0.42624795      -0.18234089      -0.01100142
Li       5.07424996       6.67015003       1.19114002       0.75196729      -0.14165168      -0.28404889
Li       8.82817003       0.93624797      11.69680000      -0.35447624      -1.13446990      -0.06083463
Li       1.00405995       1.38961997       1.70502001       0.14960882       0.11073379       0.08069458
Li       5.81305998       2.30155994       0.97424096       0.12128117      -0.24040821      -0.13259721
Li       0.94258902      10.95629996       9.39293999       0.17751478       0.85635966       1.60303696
Li       4.05292002       1.04222000       3.90759003       2.10806623       0.21947359       1.36651775
Li       2.20161003       4.02291999       2.83489001       0.25700309      -0.58498364      -0.79554609
Li       4.31361000       1.87785004       7.67655001       0.65552865       0.55277065      -0.45707104
Li       6.03150995      11.29749995       8.76161994      -0.10936079       1.50145354       0.66174574
Li      10.49429995       0.42138495       8.80125994       0.31066553      -0.02053599       0.42810119
Li      12.02899998       5.82782998       8.98502001       0.33055158       0.32491965       0.15040109
Li       7.56314003       2.30014999       4.08888002       0.30540706      -0.47712811       0.07052474
Li       8.15043001       7.27827994       2.97315001      -0.24016929       0.38618446      -0.00736444
Li       6.51258999       9.73699004      12.09420005       0.57863084       0.16119950      -0.40243835
Li       1.85230001       5.24623999       5.73038006      -0.25150289       0.34292196       0.02219305
Li      10.45179996       4.17949995       1.98859995       0.94359060      -0.93366321       0.23028579
Li       2.89597005       4.33685995      10.00819995      -0.41312954      -0.01440100       0.23693486
Li       8.08626996       4.91905005       0.27022503       0.40138531       0.01324690       0.10742798
Li       9.78445998       8.84667005      10.80949995      -0.03730409       0.52838667      -0.12113876
Li       3.29119002       7.69864006       3.67040997      -0.35411142      -0.21815727       0.07437651
Li      11.71389999       3.02944003      10.89260005       1.12335062      -1.40964307      -0.57551171
Cl       9.97699001       2.21931001       4.89637999      -1.88996165       0.46635126      -0.57559673
Cl       0.29168003       3.31876004       3.39498994      -0.48035910      -0.21933969      -0.36924610
Cl       5.40669999       3.02528996       3.76238004       0.61622148       0.33949589      -0.65688657
Cl       1.61656999       4.61912995       7.72238998      -1.68525003      -0.77091985       0.57023388
Cl       5.40062001       0.84219503      10.97620000      -0.13335253      -0.11437919       0.35080639
Cl       7.90403996      11.65060004       3.26308999      -1.40379540      -0.84674037       1.37871435
Cl       5.84083997       9.74560004       7.50573999      -2.34019496      -0.91778782      -2.96766518
Cl       3.04390005       7.48424001       1.14250000      -0.13891890       0.53459022       0.67384171
Cl       1.84600995      10.55750000      11.52420005       0.45448269      -0.21090771       0.39673300
Cl      10.77639994       4.29038003      12.12217395      -1.13045114       1.68689553       0.59737066
Cl       2.54531994       7.57553004       5.89350000      -0.78263339       0.33862597       1.36003352
Cl       4.24552003       9.48368996       4.14971001       0.36231360       1.48618986      -0.30833862
Cl      10.26699998       6.11841997       7.73979996      -0.35109199      -0.65847812      -0.28726010
Cl       5.94958005       5.11754005      11.93169996      -0.29553554      -0.66227873       0.34788404
Cl       7.14290996       7.96792998       1.05370996      -0.12737130       0.05506810       0.04143197
Cl       9.26924995       5.47247995       3.01896999      -0.40118383       0.12063114       0.07750996
Cl       6.71602003       6.97888997       4.64907997      -0.43998851      -0.02714399       0.46760407
Cl      11.99570005      11.81219996       2.43135005      -0.06697794       0.33481193       0.45303333
Cl       9.37984003      10.91600003      11.73289998       0.32123622       0.07129140       0.82101839
Cl      11.60850001       1.37446006       7.03213994      -2.97055388      -1.24934646      -0.08769520
Cl       8.93172996      10.02609997       6.08904004       1.65629846      -3.73879060      -0.43727102
Cl       7.80274004      10.14150004       9.28007998       2.45211304       1.11959901       1.17905414
Cl      11.88779995       8.20032002      10.04459998      -0.81374538      -0.02181301       0.39464545
Cl       4.46409000       4.40875997       8.47124997       1.10579876      -0.50742394      -0.19273789
Cl       2.25463006       6.75723999       9.96762006       1.25347183      -0.94972415       0.64086042
Cl       0.85494798       1.00122006       9.83847003      -1.93604567       0.76808391       1.55710102
Cl       2.91478998       0.40317102       8.29255999       1.61767535      -1.23782173      -1.09957929
Cl       9.82137004       1.95042004      10.21599995      -0.04825627       0.61492236      -1.37311802
Cl       6.25806994       7.75985002       9.71214996       0.69450465       0.51480732       1.38872580
Cl       8.33146995       1.64479001       1.32363996      -0.49067166       1.62878104       0.38762620
Cl       1.73646995       3.40441995      12.21899998       0.42781295      -0.16154032      -0.04477356
Cl       1.05312002       9.95121996       7.65813997      -0.59596395      -0.47141425      -1.85732129
Cl       2.78741994       1.83479002       5.20995003      -1.67519171       0.60450390       1.76298741
Cl       3.10437997       5.51314000       4.01059997       0.75286465      -0.60288801      -1.05495758
Cl       3.25016998       0.50756198       2.27007004      -1.18904551      -0.97422681      -3.05335407
Cl       6.28801996       1.10426003       6.59828004       0.54764554      -0.31881746       0.20006604
72
Lattice="12.26639626 0.0 0.0 0.0 12.26639626 0.0 0.0 0.0 12.26639626" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.47970761 stress="-0.017625070840129937 -0.003838139391229844 -0.004027416220053234 -0.003838139391229844 -0.01594756791373098 -0.0017910447904096643 -0.004027416220053234 -0.0017910447904096643 -0.015297549372404375" free_energy=-249.47970761 pbc="T T T" config_type=melt 
Li      11.17550001      10.87389999       9.36418003       0.23571271       0.02486006       0.09571496
Li       5.31176001       0.29654896       4.62567005      -0.23654608       0.69089149       0.44874176
Li       1.54761000       8.11720002      11.33510005      -2.83416061      -0.10315178      -0.22305500
Li       4.05914997      10.59099997      10.12690001       0.09999375       0.50749277       0.39982862
Li       7.37895003       9.11127000       7.60396002      -0.51704656       1.34015709       1.36706891
Li       7.63568999      10.17360002      11.46390004      -0.05327598       1.33523691      -0.50821486
Li       2.66258004      10.69759998       4.47999004      -0.46586599      -0.39518140       0.26109595
Li       3.58504002       3.35703004       6.01301002       0.01211171      -0.55280399      -0.27077957
Li       4.81821997       7.16045006       0.26250799       2.96044054      -1.58951835       1.17812560
Li      11.32139996      10.02360003       0.49747805      -0.01061944      -0.58915763       0.36617638
Li       9.85853996       5.77343000       6.23975006       0.05751714      -0.16950977      -0.10349358
Li      10.40720005       0.91469904      11.57230002       0.86185434       3.05583814       0.99838962
Li      11.09120006       8.60439000       3.50298997       1.80071013      -0.34604488       0.81245352
Li       2.22093997       0.23055796       8.04993000      -0.54221064      -0.05030603      -0.01426165
Li      11.65050001       4.42723999       3.65680997       2.72608957       0.85467512       1.58557748
Li       9.59708001       3.79643995       0.51930905       0.34252745      -0.54577478       0.28631151
Li       7.75665003       2.35374002      10.01970005      -0.08147734       0.04758249       0.34228118
Li      11.98150001       0.24053802       4.92896995      -0.24455640      -0.28342104       0.37842378
Li       2.45757004       7.69547997       2.73897000      -0.33885876      -0.43627083      -0.79218141
Li       3.66016004       6.81660004       8.38131994       0.13373424       0.08010520       0.23611801
Li       2.34151006       3.27618001       1.78998994      -0.40598870       0.63282265       1.28032711
Li       1.54678006       1.34810001      11.40169996       2.23956660       3.04741271       3.67809751
Li       7.88652001      10.07800002       4.12819997       0.88853865      -0.60545293       0.73344556
Li       4.99113003       2.65740006      11.24319997      -0.00044505      -0.48967319      -0.34091692
Li       8.99188006       1.35169995       6.79433996      -0.52085414      -0.95491584       1.36003050
Li      11.53610004       3.80760004       9.70278997      -0.51490529      -1.99726560       3.43302370
Li       5.82939004       0.13729299       8.00404006      -0.05829894      -0.89040152       0.34632515
Li       7.05362005       5.83831997      10.19280000       0.90760424       0.67624714       0.89027341
Li       6.69237002       0.39999099       1.47147003      -0.12525211      -0.04273250      -0.59720282
Li       8.10518999       3.33079001       3.88972001       0.15578502       0.20633904      -0.11246307
Li       4.90865998       5.35601006       3.66822998      -1.86482977      -0.46270578       0.38519587
Li       6.66385004       3.64941002       7.32155998      -0.64012788       0.24182239       0.13423050
Li       0.84184805       5.79767000       7.08692001       0.63623474       0.71540860      -0.28604221
Li       7.99740002       6.68513996       2.22721006       1.77562912       1.78873096      -0.98536993
Li       6.26138994       6.52782000       6.06294001      -0.27551545      -0.74654525       0.50516005
Li      10.21549995       7.10827004      11.38179994      -0.05281860      -0.18119812       1.15907607
Cl       7.94518000       2.07469999       0.79199803       0.30137003       0.53316032      -0.09665969
Cl       6.14121999       4.09131995       9.52644004      -0.33972190      -3.48467432       2.19849012
Cl       3.02097003       2.16386001       4.19176996      -1.09333407      -0.40651493      -0.81187723
Cl       2.75470999       8.23868003       4.77497000       0.49473015       0.58613097       0.16463191
Cl       7.73824001       4.68214000       5.80248002       3.77993264       1.59296724       0.89351591
Cl      12.04019999       3.20711002       0.43630799       0.13186241      -0.29597112      -0.58698324
Cl       5.55829998       3.62408003       5.03373000      -1.90180244      -1.25148609      -0.16732905
Cl       9.92552994       1.89581006       9.84159001       0.03304166       1.02251949      -0.98425384
Cl      10.11570006       4.00308003       2.74903997      -3.50556183      -0.39898421      -1.14174309
Cl       7.26033999       1.70546000       7.93679997      -0.20412746       0.46978847       0.22028956
Cl      11.91489998       6.44031999       4.68678001      -0.37582706      -0.09803059       0.60228730
Cl      10.14120005      11.34800001      11.50810003      -1.37502089      -2.84941867       0.11190501
Cl       5.81226995      12.21019997      11.66070001       0.22323585      -0.01810875       0.62307148
Cl       5.92444001       6.38731002       8.50945999      -0.55479731       3.32365228      -2.23433841
Cl       7.66684002       8.06362997       5.92203003       0.94739209      -0.12985010      -1.79866670
Cl       9.18914996       5.35762996      11.29450000      -0.80692619      -0.80038448      -0.39604111
Cl       5.99041998       9.95604996       9.45405996       0.53704935      -0.23716692      -1.01519124
Cl       1.76616995       7.43392998       9.33797999      -0.14479349      -0.16951432      -1.17825100
Cl       3.35654000       8.08207004      11.92249999      -0.17122174       2.54592970      -0.05361015
Cl       0.18676005      10.77440001       3.46858003       0.49004019       0.17710951       0.23819890
Cl      10.17790001       1.59125004       5.29178995       1.21974117       0.68492507      -1.93579038
Cl       9.63824003       8.98169000       2.22208994      -3.20832405       0.61164865      -0.04583245
Cl      11.65560001       4.66949997       8.08658996      -0.64700394       1.42893598      -3.07206937
Cl      12.07140006       7.98865003       1.20623006       1.83786028      -0.69630366      -0.21935508
Cl       3.02357002       5.10262998       7.10925000      -0.23940120       0.04425613      -0.17193544
Cl       3.72459996       5.63151994       1.70607001      -0.65655679      -0.01505750       0.48434344
Cl       3.97573002       0.88957402       9.24554006      -0.18395027       0.28973225       0.89300738
Cl       0.70388801       0.41008096      10.21700000      -2.55678505      -3.30608802      -3.37668098
Cl       3.03958000       2.45410000       0.11321896       1.39827259      -0.23748086      -0.77252314
Cl       7.89775996      11.38410001       6.64613000       0.13149682      -0.91691317      -0.42582734
Cl      12.12450006      11.68939994       7.44781002       0.38365550      -0.09985659      -0.98591533
Cl       6.53156002      11.40839999       3.30002000      -0.60022281       0.29961137      -0.67031090
Cl       4.21564000      12.22880000       6.50955006      -0.77140271      -0.82135299      -1.43153889
Cl       7.11692999       8.27738996      11.98690004      -0.37780039      -1.95138455       0.82218332
Cl      11.07839995       8.59671001      10.47969997       0.79619279       1.46476348      -1.51074242
Cl       6.67474996       5.43767997       2.85072006       0.95831184      -0.70418057      -0.59596958
72
Lattice="12.21413662 0.0 0.0 0.0 12.21413662 0.0 0.0 0.0 12.21413662" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.12238457 stress="-0.0061361022326559215 -0.0009289923412169167 0.004865370839144878 -0.0009289923412169167 -0.01870846261321254 -0.0034353061569777216 0.004865370839144878 -0.0034353061569777216 -0.007974607608255023" free_energy=-253.12238457 pbc="T T T" config_type=melt 
Li       4.09467999       8.69075003      10.74760002       0.11814805       0.88190557       0.64651143
Li       7.08904996       9.65093996       5.64974001      -1.48327370      -1.27872705      -0.17534552
Li       4.00158994       5.06507995      10.31630004      -0.35479923      -0.07157683      -0.23697589
Li       0.68645304       4.20057997       8.34306999       1.77195130       2.42497785      -0.95523064
Li       9.40877003       7.74415005       9.51719003      -2.84081940      -3.40894645      -0.13487797
Li       2.68854998       7.37754995       8.11169003      -0.11519247      -0.02604528       0.14672959
Li       3.37711998       8.97580001       1.94116000       2.04065059      -4.09747346      -0.29426621
Li       7.98098998       0.30556704       4.08973998      -0.50557071       0.79323284      -0.21125827
Li       9.24926000       6.70996005       5.52302005       1.12198379       0.44626209       0.15608406
Li       7.18163996       0.55525099       9.61488004      -0.68951865       0.04456019       0.12714932
Li       0.95675299       9.42891004      11.88800000       0.38499489       0.16938773      -0.71408409
Li       0.22609698       6.67159996       2.84804999       0.87561529       0.30409509       1.10545638
Li      11.76150002       6.24975996       0.13103998       0.22433777      -0.74894074       0.01630109
Li       2.73639996       9.89032006       4.69728994       0.24594621       0.10198805      -0.92321646
Li       2.24412995      10.91660006       8.09379999       0.61815212       0.58301790      -0.43421311
Li       3.60957002       0.35639605       2.70357996       0.46853575       0.14607018       0.35750131
Li       9.47385000       3.03892996       7.31096006       0.37954503       0.11575735      -0.00170153
Li       3.78547997       0.62863694      10.80370003      -0.24250744       0.85467143      -0.21824276
Li       4.78324998       2.21453998       5.67841001      -1.41084895      -1.07121236       1.99970274
Li       9.63069002      11.35679999      11.29660005       0.19602091      -0.55814575       0.06561960
Li       1.79484002       3.10361004       0.58410102       0.07153262       0.32035108       0.43146503
Li       7.05283004       6.46673995       1.27758000      -0.49790734      -0.07183225      -0.11491929
Li      12.19330004       0.73238699       9.96702996       0.49062500       0.29455643       0.00843266
Li       9.29215995       4.86536001       2.25397002       0.93495329      -0.89047499       2.84835474
Li       0.98221201       1.10803997       6.12878004       0.65061461       0.35555956      -0.11506017
Li       3.03803002       4.34302001       4.49132003       0.56967759       0.47981439      -0.55195493
Li       7.73595998       3.90693002      10.39590006      -0.23598233       0.72160076       0.15128947
Li      10.02840002       8.25396994       0.88602703      -0.09048359       0.29927584       0.80960521
Li       6.22053996       6.88849005       7.55414999       0.44766315      -0.56159727       0.01745763
Li       6.58581996       9.94677001       2.12392000       4.08616730       0.50720419      -2.43063375
Li      11.65590001       3.69781997       4.73638996      -0.05692099      -0.09930611      -0.09097497
Li      12.12979996       8.66203997       7.55707003      -0.14358386      -0.13231444       0.15559740
Li       5.25635003       3.46845998       1.12251995      -0.12610639      -0.13934836      -0.07452536
Li      10.41390003      12.01220005       7.22463995      -0.53413975      -0.00208513      -0.40599163
Li       0.31739301      11.67929998       2.67088003      -0.56715021      -0.62983688      -1.44082430
Li       7.23473005       3.78473002       4.75506000      -0.12863285       0.02354144      -0.47108922
Cl       5.73742005       1.79637997       4.07061997       2.26962700      -1.46538934      -2.15782983
Cl       1.69289998       5.76999002       9.79352999       0.36826932      -0.11673048      -0.20476830
Cl       7.99167002       2.42186005       8.91360001       0.06680153       0.20745438      -0.63143635
Cl       0.50844800       4.83265995       1.86065003      -0.07653298      -1.40724409      -0.65637184
Cl      12.05550002      11.26819998      11.66269999      -0.55961789       0.79615523       0.20416970
Cl       1.99933996       1.97196002      10.94309997      -0.53034818      -0.23704707      -0.12200362
Cl       9.91529003       1.65473996       5.13682005       0.27622380      -0.14805095       0.55232057
Cl       2.62550000       7.18719006       3.66923999       0.04287324       0.11411742      -0.00690940
Cl      10.64740000       9.03826005       9.41364005       3.05114042       2.69544448       0.17396470
Cl      11.43580005       6.63774006       6.92023997       0.04743864      -0.03775776      -0.07947645
Cl       7.17198004       7.16659996       5.54769004      -0.72255475       0.78566648       0.11604858
Cl       5.85542998       8.51289999       1.14069996      -1.02372062      -2.80974036      -1.92712104
Cl      11.77490002       2.82795004       8.91728001      -2.60996945      -2.05123188       0.53311310
Cl       0.35687997      12.02590004       7.78936996      -0.65530157      -0.16946142       0.41784919
Cl       1.38476003      12.09659998       4.27558002       0.10313240       1.03521322       1.97173862
Cl       2.32019996       9.19504999       9.38561996      -0.65577850      -0.00204055       1.89265057
Cl       9.42609004       5.83326999       0.64571401       0.09045020       1.62254360      -4.36962591
Cl       3.70311003       0.68203495       6.99120996      -0.24003610      -0.34678100       0.30911127
Cl       8.84741002      10.40859995       1.31686006       0.37318574       0.08728490      -0.58630489
Cl       1.47666005       3.42628005       5.66810006      -0.53909791      -0.14529705       0.49387101
Cl       8.49758004       5.73224003       8.90368006      -0.41415620       0.19791563       0.18484384
Cl       1.87818000       9.33325002       6.52670000      -0.16444216      -0.67892425      -0.37480226
Cl       7.33483003       4.22381004       2.24648996      -1.30200315      -0.43841878       0.21591497
Cl       0.34740498       8.02919001       1.18111996       0.33795038       1.00451750      -1.31253599
Cl       4.87833997       5.47916996       0.00947365       0.24108514       0.13674245       0.46136377
Cl       5.50683999      10.45440003       3.42057995      -2.76373106       1.87327998       4.82227384
Cl       5.26707001       2.31383004      11.10700001       0.90096797       0.20091232       0.00078922
Cl      10.39419997       7.19462004       3.00765004      -1.08124528       1.02986163       1.20978127
Cl       4.47819997      11.03849995      11.46849998       0.35755185      -1.12263641       0.03977859
Cl       9.72688001       4.77845997       4.73041004      -0.65255051      -1.03881327       0.14670076
Cl       5.22324996       4.16912002       5.85471997      -0.08941089       2.15643081       0.63750923
Cl       8.92961995      11.63509995       8.93924994       0.03758776      -0.28472172       0.52167203
Cl       8.55350003      10.85750001       5.20623005       1.81242059       0.27499608       0.36584262
Cl       3.24934997       2.54646000       2.33569994      -0.27144645       0.47795724      -0.34909519
Cl       4.95889000       7.47872001       9.25884003       0.46621578      -0.92786849      -0.86479685
Cl       2.67464003      10.61740001       2.26378005      -2.16465550       2.65169489      -0.67610110
72
Lattice="12.19589331 0.0 0.0 0.0 12.19589331 0.0 0.0 0.0 12.19589331" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.38213355 stress="-0.01751727057781319 0.004998524823063004 0.001414303442318711 0.004998524823063004 -0.012022000171480722 0.0028047138571752656 0.001414303442318711 0.0028047138571752656 -0.009841953649358857" free_energy=-249.38213355 pbc="T T T" config_type=melt 
Li       7.08836003       3.48464003       4.38661000      -0.90813486       2.28766158       0.66748470
Li       0.15638404      11.50960003       8.37865005       0.20243482      -0.26081357      -0.00438884
Li       4.11889002       1.02303995       7.40797000      -0.90648768       0.14269577      -0.08466629
Li       1.10894002       0.71339500       4.08589001       0.00334123      -0.22562460      -0.04622545
Li      10.92069997       5.05114996       0.00600672      -0.80090226      -0.21734578      -0.59436815
Li       0.06537413       4.43575994       3.68631998      -2.35375261       1.37902049       0.84230539
Li       8.64165998       7.21646996       4.32803996       0.23622285       0.21428045      -0.28783207
Li       0.00100665       6.63523003       9.35678996       0.13082301      -0.28517031      -0.05770698
Li      10.40310004       9.09827995       6.71238003       6.95114429      -1.69272851      -1.46847686
Li       4.73816004       6.47924004       5.75679996      -0.48514570       0.07240408       0.30529172
Li       5.60361002       0.21243405       1.20422994      -3.78817521       1.07058933      -0.00222157
Li       9.45312996       2.65425995       9.70254000       0.61161224       0.43689576      -0.07814032
Li       8.18047996      10.67890005       2.87021995       0.37690100      -0.51937486       0.92544162
Li       9.45123996       1.54955996       2.18842000      -0.06519638       0.05851011      -0.05973884
Li       4.69268997      11.08069997       4.50929996       0.03365231       0.63911751      -0.32979634
Li       3.28727999       2.21986003       2.29695003      -0.14231144      -0.07798819      -0.36423432
Li       7.16212994       6.60423002       1.30083996      -0.37570636       0.56891026       0.21956973
Li       8.49057006       7.99136995      10.33510001       1.57630549      -1.57374556       0.10548360
Li      12.09439994       0.78181298       0.22299703       0.08436476       0.40442741       0.45862215
Li       9.27149006      10.71459999      11.80110005      -0.19734658      -0.49866206       0.27982815
Li       1.00547006       7.20756001       5.46550995      -0.41408871       0.13822391      -0.44927867
Li       5.32617004       7.57454005      10.06629996      -1.38981668       2.87661324       3.98080444
Li      11.63060000       7.32206005       1.79635996       0.06262653       0.87875735       0.58294262
Li      10.54439995       4.61462003       7.13115005      -0.14991742      -0.14790827       1.32619532
Li      11.38689995       9.80731004       3.57284000       1.43429327       3.35559645      -2.13123091
Li       6.58913004       3.95294001       8.04389998      -0.29323742       0.30245560      -0.09823601
Li       6.15306002      11.39540000       8.99979995       0.00449967      -1.09802453       0.74292509
Li       6.74093000       8.93050995       6.78750002      -0.30520951       0.11218314      -0.03050462
Li       2.72947995       5.45271999       1.16030997       0.21765475       0.33396015       0.04723578
Li       2.45831999       9.80424997       7.60483001      -0.01211968      -0.51424040      -0.32020284
Li       0.62367798       9.79080998      11.20359994       0.08409133      -1.02178297      -0.40779804
Li       2.13007997       9.65078002       1.44906994       0.53683439      -0.01376715       0.22172115
Li       7.89785001       0.51193799       5.73380997       0.05903278      -0.42103297       0.53126145
Li       2.78907994       3.02099997       5.38600004       0.23360018      -0.01870506       0.69105396
Li       3.13595005       5.38734000       8.56036996       0.55600223       0.27448326      -0.21872625
Li       0.81289702       2.17062997       8.88003005       0.13176614       0.02493763      -0.38008515
Cl       3.20193995      11.80270003       1.23714995       2.16570986       0.71808152      -0.79706633
Cl       3.96545995       1.24535999       4.15308999       0.59963959      -0.43847787       0.49456772
Cl       2.37497997       5.88369006       6.48408998       0.10161734       0.64468167      -0.70829571
Cl      10.78589999       8.34961004       4.50172997      -2.34641870      -3.65951804       1.04654925
Cl       8.70123997       3.47650000       7.53811994      -0.97937908      -0.95754205      -0.56000776
Cl       6.25705001       0.73198800       7.63839994       0.47753502       0.90621446      -0.06673119
Cl       8.45837997       8.33748001       2.27145000      -1.04237022       0.10820113       0.62188601
Cl       8.70021002       6.14591005      12.11939994       0.09682111      -0.30210132      -0.58167223
Cl       4.38077000       7.83883005      11.97949999      -0.09040798      -0.46644897       0.74113515
Cl      10.24749996       5.01308999       9.52915001       0.89509305       0.39043014       0.36604711
Cl      11.16499994       5.17110999       5.28668998      -0.22284973       0.57018428      -0.18931938
Cl      11.14320002       1.02815003       9.38863003      -0.05802761       0.78084813      -1.21003998
Cl       7.31562001      11.71950001       1.20562003       3.22881245      -0.82309464      -0.83611295
Cl       2.75373002      11.69159995       8.75580000       0.36163865       0.84393955       0.13537045
Cl      10.29690003      12.13270004       3.48547996      -0.36246238      -0.28741639       0.23041237
Cl       7.71867002       1.73921000       4.00305001       0.58311921      -1.30296976      -1.22026230
Cl       1.50716996       1.22793998       6.36545004      -0.29743670       0.22897746       0.23330736
Cl      11.22759999       8.53383999       9.00208997      -1.12104431       0.19007456       0.16182698
Cl      10.99490003       8.87856996       0.53697396       0.05090883      -0.91498321      -0.09920245
Cl       6.81287004      10.78510006       5.34653998       2.00666404       1.66854920      -1.76061432
Cl       4.70691002       9.34481994       5.73192997      -2.65267225      -2.63248515       1.16725300
Cl       4.22868001       3.59757998       0.79278197      -0.26907948       0.26538433       0.20302067
Cl       1.96065998       8.79539994       9.57934001       0.57518496      -0.68261203       0.44516802
Cl       0.76431297      11.17260005       2.30341995      -1.16944251       0.09126923       0.95051791
Cl       1.68318999       7.70454998       2.50065999       0.43493345      -0.22570498       0.12695310
Cl      11.93020004       5.29532004       1.92966997      -0.20569212      -0.40508561      -1.66333999
Cl       8.80700995       9.45147998       7.13819001      -6.34061933       1.24409467       1.93788858
Cl       5.82791994       6.63672000       8.65374001       1.43190456      -2.77540077      -4.41860919
Cl       6.48198997       5.64849006       4.48596995       0.35464882       0.34379207      -0.09347957
Cl      11.36070000      11.26700005      11.44770001      -0.21480383       1.16391069      -0.41863681
Cl      10.56919994       2.68852004       0.18279400      -0.23566311      -0.63181862       0.36489143
Cl       1.44052001       4.27936005       9.18302995      -0.58593425      -0.08640281       0.73215582
Cl       1.51437005       3.32674004       3.64932996       2.86736222      -2.51095150      -0.73165170
Cl       7.14290994       9.44850003      10.17700001      -1.02160383       1.79345638       0.00061417
Cl       0.63220596       9.27343006       6.13044005       1.27636416       1.41533899       0.97901437
Cl       4.42046995       3.93031005       7.24829002       0.76829533      -1.24922342      -0.09784595
72
Lattice="12.17102098 0.0 0.0 0.0 12.17102098 0.0 0.0 0.0 12.17102098" Properties=species:S:1:pos:R:3:forces:R:3 energy=-248.36906033 stress="-0.01503523952182738 -0.003276903770683208 -0.0017128471507902308 -0.003276903770683208 -0.01646289136763816 0.004011162075746101 -0.0017128471507902308 0.004011162075746101 -0.0068954035382713785" free_energy=-248.36906033 pbc="T T T" config_type=melt 
Li       7.15106999      11.77500006       1.62771997      -0.15619305      -0.19690706       1.41178672
Li       4.12641999       0.49978995       8.02210006      -0.38647210      -0.21512413      -0.11303238
Li       2.13467999       9.54095000       7.36330996      -0.67759517      -0.05125543      -0.99006406
Li       4.55900996       9.27120001       0.63833999      -0.07732635      -0.21292380       1.25585315
Li      11.61689995       5.56111998      10.66610004      -0.87798619      -1.45154913       0.05196667
Li       5.34416995       8.14861003       7.65859000      -1.13839776       0.61591367      -0.05628507
Li      10.17090002       8.51922006       4.18361003       0.71282480      -0.10000992      -0.09774755
Li      10.43069996      11.98099994       3.06345000       0.08657459       0.95754195       0.80113007
Li       3.06989005       6.17643994       8.46228998       0.76070192      -0.73240685       0.44773658
Li      10.81310005      12.07029994      11.39250004       0.37465115      -0.39170462       0.07291288
Li      11.26369997       5.83559001       6.24805995       0.14176173      -0.37539223       0.46065593
Li       1.53397000       3.26393994       9.86212000      -0.45393779      -1.15795743       1.17051493
Li       5.90514996       6.59180001       4.20446995      -0.20868975       0.17475727       0.18764792
Li       7.60080005      10.22650004      10.06579997      -2.08914384      -0.63130681       0.61213698
Li       4.04586998       0.44858306       0.02157898      -0.37137811       0.20687157      -0.11170863
Li       7.17758005       1.67990006       5.72042002      -0.83101253      -2.50454632      -0.04811002
Li       9.20677004       2.77338000       0.12495500       0.31572532       1.32109312      -0.37896201
Li       9.89020001       2.86244997       7.52382004       2.49307447       2.21344600       0.01531533
Li      11.78409996      11.89679997       7.61191998      -0.45803325       0.55822329       0.24725761
Li       1.46214005       0.74224302       3.74905006      -0.23490496       2.19218909       0.96638137
Li      11.34840005       6.39871005       1.92559001       0.59771468       0.28973914       0.14376148
Li       8.03520995      10.40709998       6.50480995       0.78526947      -1.07081940      -0.15335880
Li       0.45755797       2.51791003       0.92189995       0.81120022      -0.13328322       0.98934087
Li       4.29830000       1.72039000       3.57621998       0.11189119      -0.63285289      -1.00389252
Li       8.66416998       4.22181000       3.36090001      -0.36333840      -0.68210685       1.10159509
Li       7.51454998       6.38360995      11.94149999      -0.44714739      -0.39156779       0.11542913
Li       0.72744695       9.45631005       1.48903995      -0.16417028       0.66715555      -0.14828711
Li       1.88562999       8.41651003       4.01147005      -0.18854770      -0.04092581       0.30917755
Li       7.34877995       5.24630995       7.26790996      -0.37730637      -0.15501110      -0.08650102
Li       9.98465005       7.82702001       8.91260997      -0.59887931      -0.02709858       0.47748842
Li       5.32735995       4.06299996       9.52519997      -2.00843893      -0.71257464      -1.54477593
Li       3.27579001       5.44845004       0.34600801       1.24759894       1.42939202       0.67110617
Li       1.25459006       4.52269005       3.93354996       0.32034709       0.12547254      -0.04884242
Li       4.65938997      10.68379999       5.17708995      -0.28333380       0.18505715      -0.13421387
Li       1.50532003       9.15920995      10.37699995       0.54097546      -0.55698986      -0.15737226
Li       1.39323004       2.77775001       6.81525996      -0.04482472      -0.22130901      -0.32194507
Cl      11.73030003       4.01455005       5.07282994      -0.81409476      -1.85000802       1.29392442
Cl       1.76301000       4.44796997       8.31467996       0.01485070       0.96894301      -1.71164914
Cl       9.27193003       7.37650006      11.28530000       0.48830201       0.28674503      -0.49212317
Cl       2.29820995       2.09226995       1.94752000       1.42294447       0.33705566      -0.32780288
Cl       1.68019995       7.48148996       7.96670999      -1.68808029       1.67675297      -0.56331284
Cl       1.58834002       7.50352998       1.81709996       0.16050393      -0.32831299       0.16718089
Cl       6.70717995       4.60735995      10.70330003       1.99992079       0.61080779       1.79296850
Cl       9.56361001       5.02742996       1.69565995       0.11107680       0.22417421      -0.63708680
Cl       9.35860997      10.50379996       9.32251000       2.64509821       0.76200875      -0.72147842
Cl       0.00807900       6.65350003       4.51020003       0.32196660       0.52581376      -1.36533839
Cl       8.23515001       9.31993996       4.15456998      -0.71172050       0.14094515       0.32412255
Cl       6.30545995      11.40589997       6.63966000      -1.11355071       0.69049084       1.04615964
Cl      11.32210006       2.97878996      11.63570004      -1.64549361      -0.32887720      -1.22689286
Cl       0.64993800       7.08095006      10.81289996       0.01172169       1.92150454       0.29057675
Cl       5.19136996       5.90186999       7.73858002       0.02004494      -0.69656366      -0.12582920
Cl       3.57121002       8.59098003       5.71185004       0.85700710      -0.16841720      -1.14034755
Cl      11.79049997       2.20722001       8.28259995      -0.08522890      -0.78568944       0.39112021
Cl      10.91650005      10.42539996       1.89824002      -0.32524157      -0.72498930      -1.78056462
Cl       3.62820996       2.50245003       9.93409005       1.17024812      -1.31458989       0.04997117
Cl       8.38265998       1.81264999       7.37357001      -1.88610329      -2.20179756       1.16032655
Cl       1.02509998      11.14539996      11.23280006      -0.35729728       0.33717417       0.27912579
Cl       8.33818999       1.15263001       0.95350699       0.35837731      -0.33994331       0.12432499
Cl       3.71398997      10.38389995       8.31402005       1.78898312       0.15473624       1.74810734
Cl       7.24619005       3.49866003       5.12253006       0.06253106       3.69062196      -1.49837735
Cl       3.52202997       2.42543997       5.28430995      -0.98488136       0.87481644       1.53101584
Cl      11.90109999       1.47566996       3.55588999      -3.39423194       0.34668289      -0.67112658
Cl      12.08170005       9.45487995       4.56866998       0.15578369       1.76026953       0.93468637
Cl       5.91292006      10.82560005       0.22777104      -0.16278837       0.60641267      -0.86269453
Cl       1.75098004       4.42112994      11.79540003      -0.72736107      -0.70606737       0.09350804
Cl       5.27609999       6.44405002       2.16190998       0.07239026      -0.08350128      -0.33549872
Cl       3.92085996       8.17948000      11.30059995      -0.48261981      -1.03308049      -1.24313784
Cl       1.61662998      12.04728892       7.09767000       0.09811736       0.25327953      -0.58384377
Cl       9.44401001       5.46323004       7.67205005       0.93139297       0.26382614       0.24348071
Cl       6.11785997       0.44006395       4.00897998       0.16116809      -0.04243733      -1.67231633
Cl       2.61024998      11.56269996       3.48529004       3.47886219      -4.31693381      -0.68460182
Cl       7.40874998       8.34030994       7.83472001       1.18414873       0.19691807       0.05932692
72
Lattice="12.14910785 0.0 0.0 0.0 12.14910785 0.0 0.0 0.0 12.14910785" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.07063276 stress="-0.01345442679673884 0.003027518781030512 0.0013564027160219564 0.003027518781030512 -0.011907751013414365 0.0008771606336998425 0.0013564027160219564 0.0008771606336998425 -0.008562936346649255" free_energy=-252.07063276 pbc="T T T" config_type=melt 
Li       9.94697004       4.67768000       2.84536006       0.19842388       0.51959945      -0.47957998
Li       4.15605003       8.35017003       3.02443997       1.85878002       0.57666722      -0.68691550
Li       1.74527000      10.36109996       4.07098004       0.22814743       0.16465814       0.27483870
Li       3.12570995       9.23428004       6.94153006      -1.29237540       0.13006687      -0.65801878
Li       8.84511994       7.28841005       4.20915002      -1.31213341       0.87543665      -0.77163205
Li       7.85538996      11.86699998       0.06072124       0.36782787      -0.94397402      -0.43964375
Li      10.31910001       9.64684006       6.33163998       0.34514668      -0.29335078      -0.19893245
Li       2.56927996       2.67778996       9.46522001       0.42707944      -0.48462855       0.14560280
Li       5.35793005       3.99854997       6.14155006       0.17441722      -0.53468976       0.31628402
Li       0.17418905       0.06339210       7.22250004       0.00992644       0.11940131      -0.14270514
Li       6.59273002       5.65694001      10.24600004       0.49106893       0.30410374      -0.00911120
Li      10.29959996       7.21082997       0.20297405      -0.65092022      -0.40719051      -0.14725159
Li       9.15398999       2.94209004      10.95869999       0.46488839      -0.67345804       0.24990330
Li       4.19137004       4.40396995       2.37096996       0.43180554       0.20655744       0.25184259
Li      10.98259996       3.71368000       8.30684995      -0.10895298      -0.29241142      -0.21491445
Li       8.49111001       5.64792998       7.53055003       0.25218736      -0.10726710      -0.05173464
Li       0.91962405       4.16072999       3.87641997       0.22935134      -0.18159645       0.22504875
Li       3.40960994       8.99987006      11.25450003      -0.61657953      -0.11733200      -1.10052857
Li       6.97391994       1.26982001       3.11494001       0.36115783       0.22986355      -1.17938061
Li       0.71142406       4.73254999      11.68629998       0.81318752       0.04223245       0.20215585
Li       6.13280003       1.68596997       9.97828995       0.85764660      -0.90079678      -0.16129014
Li       4.14456002      11.76640002       8.84143998       0.86941528      -1.38617248      -0.11732538
Li       1.30363997       6.80544000       1.91929006       0.43417037       0.00698258      -0.35739126
Li       5.64418004       6.83471000       5.83503997      -0.07002231       1.12491729      -0.86589699
Li       1.03683001       6.50717005       5.99702998       0.78991131       2.81750684      -0.14795437
Li      11.01430002       9.55406995       2.82815996      -0.07711325      -0.00752074       0.15940329
Li       3.96399998       1.04255006       0.42093597      -0.21373277      -1.44079770       1.58490350
Li       0.54413995       0.89190294       1.78314995       0.35134078       1.57934156      -0.83428637
Li      12.08500005       7.05652999       9.60508005      -1.01320269      -0.23280119       1.98132119
Li       7.13972999       8.38054997       0.78651405      -0.65178523       0.51903908       0.88299110
Li       0.81796201      10.70020002      10.97260003      -0.32993180      -0.22301155       0.01428750
Li       7.95200003       1.30138996       7.19202996      -0.08109630       0.04470707      -0.14762126
Li      10.37149996       0.30174399       9.50453002       1.63679384      -0.34038392       0.02616756
Li       4.06306003       1.07631000       5.65157994      -0.02799238      -0.11510555      -0.42473626
Li       6.53008995      10.64559999       4.88339999      -0.32632986      -0.69676369      -0.66749718
Li       7.15224005       9.41144004       9.38817996      -0.36846672      -0.24785322      -0.49830595
Cl       6.58085998       0.62561296       5.08203001      -0.36322758       0.70555606       1.38599483
Cl       6.28217003       5.43176006       7.42240997      -0.76645008       0.70012531       0.58177409
Cl       0.36043098       4.74748999       5.87899994      -1.10493055      -2.95089424      -0.24282267
Cl       1.01468996       7.20756004       8.07465001       1.72230769       0.63804713      -2.26609217
Cl       4.44147000       3.42966994       4.38525996      -0.24243621      -0.34234085      -0.10025056
Cl       0.38157104      11.19100005       2.43905999      -1.05623034      -1.83466916      -0.10117330
Cl       8.24694003       9.60615998       5.63388003       0.39140923      -0.04215680       0.40740221
Cl      11.68330000       5.57815000       1.02196995      -1.38957871      -0.42390008       0.97036141
Cl       4.61321003       9.35507996       5.31846999       0.33008720       0.08879245      -1.45714557
Cl       0.03959212       8.97950001       4.72508995      -1.12364893       0.18510896       1.01107813
Cl       8.81602004       2.93436005       3.06648002      -0.17269250      -0.30592455       0.08802220
Cl       4.68882000       8.85859999       0.64203102       0.73676918      -0.19683943       0.99383523
Cl       2.15554003      11.84570004       6.16182996      -0.24315410      -0.40071892      -0.44791231
Cl       2.51215000       7.60328005       3.89212998      -1.33394080      -1.40338726      -0.00979356
Cl       2.78599004       0.80813606       2.42158994       0.52125319       0.50829964      -0.23122442
Cl       4.68292003       9.26890002       8.17067000       0.89024859      -0.45866627       2.19444870
Cl       8.78142995       5.03897005      10.73189996      -0.12983112       0.46267757       0.39354634
Cl       6.46652995       1.03928996       0.65501004      -0.42554781       1.17593910       1.21068017
Cl       2.05434003       4.33221003       2.08068998       0.21699079      -0.06736672      -0.51583468
Cl       4.41670003       2.18993002      11.03870005      -0.99273042       2.70142992      -1.40214808
Cl       7.92299998       8.03729004      10.89780004       0.02211504      -0.18701209      -0.15108052
Cl       9.57797004       6.76758994       5.98663994       0.77608265      -0.86792331       1.43527006
Cl       0.70458399       3.88870005       9.74377997      -0.06931709       0.07009832      -1.07057293
Cl       7.01698002      10.32979997       2.34352002       0.71578274       0.14666885      -0.10668042
Cl      10.10289995       0.94739217       7.36108006       1.46629124      -0.39159240      -1.31534265
Cl       2.01551998       7.12965000      11.60129996       1.97265346      -1.21334331       0.30678366
Cl       4.11587002       1.47786000       7.90206003       0.58952354       1.70797012      -0.52654363
Cl       2.66025005      11.74419995      10.27840001      -0.64952768      -0.39974726       1.33673172
Cl       9.80755003       7.65532999       2.31817005      -0.33607860       0.27078617       0.01748594
Cl      11.97599995      10.94790004       8.99073004      -0.46102256      -0.59544989      -0.24129329
Cl      11.22859996       1.71030997      11.47330000       0.18937808      -0.26916096       0.62822835
Cl       6.13264002       6.84659996       3.22632996       0.10631676      -0.49699705       0.46502793
Cl       6.29132997      11.21529996       9.95930005      -0.45690356       0.88510245       0.42223947
Cl      11.77750005       8.26503005      11.34530003      -1.69194325       2.24796546      -0.26156519
Cl       8.58011996       1.00309996       9.91758997      -2.35172458       0.57336510       1.13130520
Cl       8.55796995       3.48304996       8.07719998       0.26166790       0.14618214      -0.54483596
72
Lattice="12.16515611 0.0 0.0 0.0 12.16515611 0.0 0.0 0.0 12.16515611" Properties=species:S:1:pos:R:3:forces:R:3 energy=-256.6831395 stress="-0.007903489075803146 0.00027348174621423115 -0.002161458777416708 0.00027348174621423115 -0.007076021140752374 0.0005254249369708441 -0.002161458777416708 0.0005254249369708441 -0.006568557719151559" free_energy=-256.6831395 pbc="T T T" config_type=melt 
Li       0.04730640       6.87004005       1.91625004       0.61084847       0.71153581      -0.09476280
Li      10.11989994       9.61890998       4.90048996       0.36057633      -1.11514444      -0.03376811
Li       5.15225005       8.02870997       4.38712998       0.15511397      -0.25420853       0.31825503
Li       3.71148001      10.87409996      10.11240000      -0.70727306       1.21140681      -0.54967053
Li       8.56145999       6.49967004      11.34950003      -0.28290899      -0.55703301       0.38180507
Li       2.47764000       4.54485999       7.65428995       0.09778792      -0.09931193      -0.04786870
Li       0.25329704       2.08276000       4.52906998       0.25939951       0.21737880      -0.03663196
Li       1.46632004       9.94507996       2.97321999       2.00639540       0.51872573       3.37127837
Li       5.18426996       7.56108003       8.68022999      -0.34188630      -0.08634127       0.08397996
Li       7.49397995      10.03490005      11.50690000       0.01736343       0.15821227      -0.04747099
Li      10.85260000       3.70861998       7.52504003      -0.17111487       0.13864419       0.66122987
Li       0.21041900       0.56064801       8.03630006       0.52703710       0.03860848      -0.10280249
Li      10.88580005       9.54401995      11.96159996       2.75162732       1.56044136       0.47115237
Li       5.46399994       5.18993004       0.00462738       0.22806767      -0.41351210      -0.10783128
Li       3.65538003       2.22450001       9.55607002       0.57572295       0.30575018       0.52278339
Li       7.33345001       5.72637000       5.65746996      -0.05770188      -0.85680174      -0.27286275
Li       6.23838998       1.45817997       0.47247398      -0.33500185       0.37923885       0.24948131
Li       1.54584999       9.02337997       8.37338996      -0.00602143      -0.32032532       0.07302577
Li       7.57288997       0.71388506       9.17054004       0.80795327      -0.03969582       0.83680871
Li       7.55817998       4.17403002       8.81131004      -0.16422131      -0.19485638      -0.11088375
Li      11.80820002       6.93065002       5.62560005       0.05585043      -0.86628663       0.06677871
Li       9.05501996       1.26290999       5.42546997      -0.73984526       1.50819411       0.05318430
Li       2.71523997       5.22208997       3.82132005      -0.17698199      -0.01051962      -0.73455971
Li       5.10890001      11.22380003       3.27501002       3.67438492      -1.18367738      -0.10053087
Li       8.98723997      12.03159997       2.59607996       0.17807785       1.47926075      -0.16770935
Li       7.48151006       8.06041006       2.11376996       0.04683202      -0.01056100      -0.28581766
Li       6.25263003      10.57070000       7.44000997      -0.54002274       0.07039502      -0.22014380
Li       5.69572001       2.23104000       5.05403004      -1.26444776      -0.77554708       0.33325609
Li      11.92770005       5.67869998      10.09050005       1.38222512       0.37049439       0.31674690
Li      10.37430000       9.49835000       8.52882003      -1.57040062       0.62828450       0.45008719
Li      11.35329994       3.65915001       1.73282004       0.68913925       1.24237345      -0.14554271
Li       3.98253003       8.05369003       0.24236105      -0.05820359      -0.66257934       1.37399540
Li       2.97795005       1.58015999       2.09755004       0.49615745      -0.25605721      -0.42312538
Li       2.88048002      11.86489998       6.30973996       0.58544509      -0.12212173       0.06381616
Li       2.67586002       4.93677996       0.20382001       0.82035828      -1.37294687      -0.61294668
Li       7.98176001       3.35556002       2.59775997       0.83910942      -0.15379466      -1.83839355
Cl       7.28137001       3.30339997       4.39698996       0.88437387       1.50264674       2.83693691
Cl       1.66451999       2.53848999       8.66756996      -0.91558581      -0.02201584      -0.51237100
Cl       7.70686994       0.27989397      11.64849998       0.46449381      -0.46683695      -0.26442114
Cl       4.07616998       1.75186995      11.96450001      -0.25281878      -0.53839390       0.18625360
Cl       7.92265001      10.82120003       8.89791999       0.36328813      -1.39689697      -0.48749514
Cl      10.00480005       2.20493004       2.23757998      -0.29415383      -1.31416457       0.64065265
Cl       7.27929998       7.25343005       4.18816995      -0.08636851       0.30055990       0.11993077
Cl      10.45270005       5.85544997       2.34982995      -0.48577285      -0.48166553       0.28030417
Cl       6.41650003       1.04076000       2.70528997      -0.09439238      -0.48266807      -0.16072760
Cl       4.25369002       8.91915999       2.70711000       0.06299287       0.23311017      -0.25973376
Cl       3.39260998      11.84079996       3.27100002      -4.44000632       1.71618558      -0.00223782
Cl       0.80821502       8.06254006       4.24671002       0.24824667      -0.04541160      -0.37572196
Cl       6.26503995       2.09834004       8.50591000      -0.99700215       1.44381483      -0.07538071
Cl       9.90907998       5.61547000       9.62122003      -0.87829239      -0.63819946      -0.40923493
Cl       2.06041006       6.54795999       8.55985006      -0.64592906       0.61253796      -0.19420552
Cl       9.47468999       2.04086004       7.41406996       0.25178246      -0.07865150       0.56746646
Cl       9.54769005      11.57520005       4.91140003       0.44009254       0.00846628       0.19211721
Cl       5.20944003       0.02178621       6.13114002       0.19433187       0.05960430      -0.26531450
Cl       3.97788002       4.25364002       5.21382995       0.17082007      -0.16986313       0.78762532
Cl       8.14143997      10.21009995       2.64908002      -0.73138978      -1.84343280      -0.69414665
Cl       0.93461695       5.85893005       0.01370745      -1.90424701       0.76212770      -0.45984325
Cl       0.70928894       9.69213997       1.33795002      -2.04030134      -0.56155267      -3.77288505
Cl      11.15320003       8.22203997       7.21182996      -0.00854748      -0.42140070      -1.26491259
Cl       6.99887002       6.22636996       7.73644003      -0.28715010       0.03162725       0.64496633
Cl      11.93270005       4.50417995       5.94027006       0.53146811       0.14566751      -0.78399846
Cl       9.34604006       8.49171995      11.71009995      -2.21970606      -0.94639753      -0.18887804
Cl       0.82683403       0.09017312       5.66258005      -0.81879196       0.55805609      -0.26518187
Cl       3.75326002       4.50394005      10.27720004       0.85558046       0.33668069       0.28114137
Cl       7.59521996       4.37192001       0.74184995      -0.31460037      -0.13749306      -0.94796106
Cl       6.37388002       7.27183995       0.21346297       0.75195601       0.59176152      -0.45609722
Cl       1.67052994       3.31580003       2.51579005      -0.74370456       0.07950113       0.36037705
Cl       2.13039997      11.35279995       8.50417002      -0.09167512       0.47951898       0.36412941
Cl       4.13550005       9.30531002       7.60720994       0.94995609      -0.60713060      -0.79424004
Cl       3.96698004       5.93335003       1.48125994      -0.23527599      -0.05428935       1.21253077
Cl       4.50738997       9.16864994      10.76640001       0.75310925      -0.32538596      -0.30963714
Cl      11.80089995       9.92168004       9.90347002       0.81377815       0.48236090       0.77585189
72
Lattice="12.14231366 0.0 0.0 0.0 12.14231366 0.0 0.0 0.0 12.14231366" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.42253705 stress="-0.015071058768753693 -0.002328985519796695 0.00263869764738487 -0.002328985519796695 -0.011462669759111742 -0.00459329421891412 0.00263869764738487 -0.00459329421891412 -0.008568823874826574" free_energy=-250.42253705 pbc="T T T" config_type=melt 
Li      11.00619999       8.57662004       6.25397005       1.37713057      -0.39013140      -0.55202545
Li       5.69698002       6.36541997       6.21957998      -4.55494645      -1.95686071       3.83095414
Li       3.55682001       2.52210996       4.28829994      -0.05563628      -0.46922335       0.08128444
Li       9.68137995      11.61290004      11.19909995       0.10748450      -0.11666989      -0.30114985
Li       8.98865003      11.93630000       7.56035004       0.06767497      -0.13149288       0.54341603
Li       6.33815999       0.86634497       8.52643003      -0.66053871       2.08677779       1.50903086
Li       2.01266996       8.32376996       4.72812004       6.47474574      -0.10311921       1.46863604
Li       3.90685997       4.41662004       8.75836000      -0.26508276      -0.23196865       0.30420141
Li      10.91549994       2.60145002       4.05443000       0.42059144      -0.25714514       0.50584869
Li       0.45466796      11.92219998       5.50670001       0.16067374      -0.12712856      -0.11774898
Li       1.80585006       6.97131001       9.20521997      -0.52147438       0.12884287      -0.38620088
Li       7.52525001       9.34729002       5.45204005      -0.19781326      -0.05375494      -0.03517426
Li      10.58099996       7.59063005      10.10360001       0.94914555      -2.07345688      -0.87097732
Li       6.49249001       5.02928002       3.05624002       0.97415445       0.88637421       0.51164912
Li       0.38657897      11.54320000       1.86679998       1.26617622      -0.09110059      -0.20444674
Li       7.49623996       8.84091001       8.62836002       1.20079819       0.95998427       0.23849040
Li       2.57523999       0.51356001       8.23201997       0.80736034      -0.31203575      -0.16423798
Li       7.32297995       6.36720004      11.60360000      -0.71511959       0.07220744       0.56970837
Li       6.70400001       2.23653999       5.89419002      -0.23812698       0.03648577      -0.90296458
Li       9.33854003       9.14548003       0.81217301      -0.13394759      -0.34634982      -0.01288705
Li       3.10175997       8.12133003       1.07844994       0.03726242       0.15773353      -0.16221843
Li      10.75820003       2.04984997       0.68529798       0.41043412       0.44284556      -1.12928179
Li       1.08950006       5.43183002       0.13222603      -0.76711511      -0.22977363      -0.31671248
Li       9.53235005       4.69815998       6.22824996      -0.92648299      -0.21724475       0.14548304
Li      11.51869997       6.81156003       3.36404998      -0.41705971      -0.59457929      -0.91634781
Li       7.86280997      12.08465273       3.65250994       0.29452053       0.76808837       0.23933683
Li       6.38496995       9.19497004       2.18475994      -0.95336673      -0.15330064      -0.32198869
Li       5.11899994       0.53193206      12.11139994      -0.14571556       0.01368629      -0.72636238
Li       1.59808997      10.22510001      10.84530001       0.22185510       1.25310434       0.42934495
Li       3.64640005      11.67909994       2.58127994      -0.04450394       0.03833241       0.17018725
Li       1.14853999       3.55233999       7.11504999      -0.02881401       0.58843416      -0.21073537
Li       8.96953001       3.70378001      10.01309995       0.13374608      -0.53410711      -0.23568480
Li       1.76842004       2.24323004      10.83719999      -0.39513729       0.00081237       0.35752704
Li       5.54534996       9.82325997      10.91509998      -1.81298471       2.43729347      -2.61818553
Li       4.65948999       3.62335006       0.50011203      -0.65065089      -0.56594166      -1.12989153
Li       4.11087998      10.77480003       5.74973995       0.88915537       0.44840710      -0.10846916
Cl       0.02818875       0.20250101      11.42080002       0.81206987      -0.06483722      -0.57086311
Cl       0.35628632       8.39357005       4.30909001      -6.91974618       0.59327989      -1.07543960
Cl       1.53507003       0.74281903       3.79609001      -0.08652289       0.53204580      -0.96566049
Cl       9.69676997       6.67422002       1.88421995      -0.18533852       0.39981924       0.02252814
Cl       0.89552405       8.32553995      10.81840005       0.32866386      -0.87626693      -0.05208627
Cl       4.89211996       2.65846997      10.69629998       0.33358309       1.25374974      -0.46913733
Cl       2.05520995      10.38700003       5.68173000      -0.45110263      -0.31370807       1.34020335
Cl       7.15539999      10.10439995      11.83900000       3.45802115       1.33797422       1.44680376
Cl       1.19956005       6.75288994       1.78017003       0.51463004       0.01234142       0.36105680
Cl       4.21011996       9.49170001       3.47976003      -0.82707506      -1.54069322      -0.94872028
Cl       5.47649005       3.61282996       4.09853003      -0.49237472      -1.01763711       1.32742709
Cl       6.89499994      11.34689996       7.74397995       0.25769228      -2.32277609      -1.33370378
Cl       8.87428996       2.65139998       4.64906994      -0.84069546      -0.10580692      -0.45361857
Cl       6.07466997       7.76993002       7.68228000      -1.13998652       0.22637152       1.01938100
Cl      11.54740003       4.25912002       5.78910995       0.80113846      -0.26853085      -0.58510543
Cl       3.11900000      10.79600003       0.49230804      -0.46529172      -0.01536258       0.25006305
Cl      10.25140002       9.42662001      10.52560005      -1.43614937       2.69814653       1.01186942
Cl       4.62287994      12.04829998       9.88589003      -0.71464627      -1.35038524      -0.30916588
Cl       8.54415004       0.94685895       9.91531996       0.39348851       0.48031056       0.39696900
Cl       5.99763998      11.34517866       4.49281002       0.60834425       1.33192028       0.80743647
Cl       8.16053003      10.18150000       2.77693997       1.52138112      -0.89382101      -0.18852512
Cl       7.43002999       3.17113994       7.66124999       0.05544808       0.50255421       0.62237647
Cl       3.75360005       0.98838105       6.28417005       0.32304911       0.38679441       0.07296788
Cl       2.44692998       5.47621005      10.64910001       1.04199687      -0.69779175      -0.41564616
Cl       6.87078003       6.73218001       5.02930006       4.83202098       1.18397058      -5.59557726
Cl      10.63189994       0.16111806       6.25344004       0.48652916       0.45232087      -0.34169733
Cl      11.49929996       3.70555996      11.11970002       0.14853898      -0.43445272       0.71279860
Cl      11.40159999       7.17300003       7.84194996       0.59655806      -0.70254724       0.50569744
Cl       2.77189994       5.29199003       6.74620997       0.44754907       0.16676273       0.28835730
Cl       5.04947997       8.22385001      11.72839664      -1.59684855      -3.87273993       1.38698160
Cl       9.09913998       5.92658996      10.44219996      -0.52735783      -0.10761751      -0.20911307
Cl       4.26395995       1.87358000       1.49955995      -0.67596977      -1.36718901       1.53755522
Cl       5.65071999       5.15925001       1.17057999       1.12642916       2.10264630      -0.48273793
Cl       9.30545999       9.35575006       6.92799996      -1.77651085       0.56416332       0.24948287
Cl      10.68920000       0.30098804       1.89565995      -1.76816600       0.37559486       1.11933887
Cl       2.27139996       2.58791001       8.74094999      -0.49174215      -0.01262818       0.03609579
72
Lattice="12.10134721 0.0 0.0 0.0 12.10134721 0.0 0.0 0.0 12.10134721" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.35047676 stress="0.0007502612223862006 -0.0035889857306298798 -0.001657115361397739 -0.0035889857306298798 -0.0031200466447350622 0.0009421348248399058 -0.001657115361397739 0.0009421348248399058 -0.001728084815404142" free_energy=-255.35047676 pbc="T T T" config_type=melt 
Li       5.68801995      10.20750005       2.86657995       0.21735560       0.14495427      -0.20674050
Li       7.06153000       6.38958999       8.40188998      -0.61874605       0.58850787      -0.41982016
Li       0.80261096       9.54678004       0.66671997       0.06170947      -0.02691747       0.28239793
Li      10.11210004       7.47586004       8.64180996       0.11171634      -0.78778299      -0.57549373
Li       2.02136995       6.84569000       3.66425998      -0.16218982       0.73745477       0.02650820
Li       8.97411005       4.80084997      11.60530004       0.66360575       0.19466418       0.42943207
Li       2.46545999      11.81999996      10.23539994       0.17995749      -0.12097900      -0.22840753
Li       8.64090998      11.58999994       1.77710994       0.06374457      -0.09327448      -0.61370229
Li       3.11735000       4.03059995       2.74105002      -0.19334251      -0.37260359       0.57095386
Li       6.32701997       1.49294006       0.50325304       0.67056348       0.02284135      -0.10498922
Li       8.46634006       2.23740005       9.39723994       0.03172488      -0.37713010      -0.12175977
Li       4.28020996      12.09574102       6.97407997       0.45244429      -0.54712677      -0.44394197
Li      10.98580001       6.40592003       2.09765999       0.32197124       0.13832085       0.14890124
Li      11.16520006       9.99769996       3.90710001      -0.24747303       0.81174603       0.55324945
Li       9.03451005       1.37140998       5.80034005      -0.03126797       0.10682244       0.50157914
Li       4.14508995       2.58224997      10.22450002      -0.26327796      -0.87991344       0.63996716
Li       1.13652997       0.77178205       1.19014995      -0.66131759       0.01222578      -0.55410572
Li       4.36545996       9.57218997      12.02360005      -0.13195654       0.17131201      -0.01522160
Li       7.45460995       9.45121002       5.43006001      -0.06742695       0.67632749       0.83905169
Li       1.71053003       9.59684997       6.47867998      -0.20784203      -1.24441110       0.60298965
Li       5.69378999       2.05332997       4.45973006       0.31325219      -0.19749861       0.29170693
Li       0.91308997       0.81702706       6.70564995       0.10324693      -0.72701449       0.53201152
Li       4.57326998       8.15244999       9.00881998      -0.05394656       0.85216387      -0.12922427
Li       0.20855304       3.44133997       4.44971002       0.10735597      -0.01717697       0.25233374
Li       7.45694999       7.76028006      11.97120000       1.07934537       0.03915305       0.75539771
Li       2.93191997      11.96470001       3.50436004      -0.11800627       0.11056992      -0.42058474
Li       0.87930095       8.42517999       9.97106998      -1.31409831      -0.66363697      -1.61094853
Li       7.27806001      10.91329999       9.34166003       1.55080260      -0.05345582       0.80768352
Li       8.91889995       6.81536996       5.06287004       0.54771774      -0.17810651       0.19291856
Li      10.79849995      12.07399998      10.25890003      -0.01341247      -0.22629158       0.24311402
Li       9.92355004       2.45606002       1.74564003      -1.18223228      -0.79646453       0.85673821
Li       6.09548005       6.46394006       3.02196004      -0.25461904       0.12037613      -0.50056609
Li       1.15629002       4.33215996       0.64065996       0.26258948      -0.36510524      -0.07951325
Li       4.63807003       5.90855998      11.37670002      -0.23415357      -0.34230237       0.32979237
Li       3.10307997       3.67398003       7.38496004      -0.19566885      -0.18919099      -0.07334325
Li      10.13739997      10.45949995       7.26775994       0.68674760      -0.04086595       0.84584910
Cl       1.01069000       5.12601003       2.84564995      -0.36253202       0.01469760       0.03449516
Cl       2.07288998      11.36359995       5.43928995      -0.72019234       0.92585617      -0.55351498
Cl      11.26499999       3.25695998       0.53486599       0.67578757       1.47228111      -1.11710710
Cl       2.31313004       9.53381006      10.64599999       2.62557988       1.34412953       0.95963113
Cl       4.13255997       4.54213999       9.36607002       0.14865479       0.75409962      -0.36142349
Cl       4.08688997       7.01796999       1.59292998       0.46497919       0.70260546       0.42954423
Cl       0.13909494       2.79734996       6.84707004       0.25758752       0.92952510      -0.98756197
Cl       4.95123995      11.10499997       4.88027003       0.98711973       0.23060162      -0.82879930
Cl      10.85489998       0.26420702       1.84027995      -0.23307016      -0.51213982       0.35125981
Cl       1.17580005       1.20204001      11.12619996      -0.64164654       0.12164837      -0.46956364
Cl       3.84218996       4.06644003       5.06995005       0.43190975      -0.20960418      -0.17076808
Cl       8.18142001       8.08669998       7.34326001      -0.80666872      -0.52201820      -1.63033354
Cl       2.25139998      11.04319996       1.40242997       0.38620672      -1.19710428       0.99104677
Cl       1.83391004       1.99179995       2.74758003       0.30908768       0.47545223       1.36257834
Cl       0.40345795      10.39560000       8.00602006      -0.03141717       0.49125119       0.43040884
Cl      12.02409995       7.84862001      11.77010006      -0.80983977      -1.25798846       0.20668415
Cl       9.86266998       9.38420002       9.35538005      -0.14252024       1.01960902       1.12988827
Cl       7.69307994       3.12781004      11.47529999      -0.73212871      -1.15432202       0.30656806
Cl       7.07772995       1.58172002       6.91095995      -0.26105594       0.49783498      -0.39961480
Cl       3.05400998       1.09707994       8.29523003      -0.26775168       1.07475470       0.33623187
Cl       7.23456994       9.81811004       0.79739698      -1.27045700      -0.77581433       1.33994813
Cl       8.22855996      11.70739995      11.22600001       0.85378275       1.81050959      -0.97103925
Cl       4.32828002       0.78469794       0.36946103       0.47584135      -0.10104383      -0.81620876
Cl       8.94320006       6.21517000       1.27319000      -0.96796945       0.52195696      -0.70638919
Cl      10.25980001       0.68019603       8.25052996      -0.76436426       0.53614286       0.10889109
Cl      11.83409997       7.60278998       6.17335004      -0.50979718      -0.03526090      -0.00397960
Cl       3.84072001       4.02744005       0.73812095       0.02327186       0.07550116      -0.97841249
Cl       7.00042001       8.45619005       3.59567995       0.32814531      -0.92214391       0.47676835
Cl       5.51614996      10.93920002       8.43136002      -1.08194174      -0.61063709      -0.34347968
Cl       9.47834995       4.80153999       4.02916001       0.08318523      -0.10435366       0.49444357
Cl       7.37429996       1.20279005       2.62486994      -0.22384781       0.33586867       0.47169372
Cl       0.08404894       8.47901005       2.91652004       0.41058557      -0.54302337      -0.41346521
Cl       5.98024001       8.00958995      10.47329997      -0.10997706      -0.67063057       0.27575418
Cl       8.34422004       5.37842997       9.58652002       1.07554917       0.13583206      -0.26394368
Cl       9.56033004      11.34549997       5.32762997      -0.15370537      -0.87761741      -0.97020250
Cl       3.09624997       8.08060006       7.71102999      -0.92126411      -0.45664703      -1.32424184
72
Lattice="12.11366509 0.0 0.0 0.0 12.11366509 0.0 0.0 0.0 12.11366509" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.97459518 stress="-0.01438797002198773 -0.0027946025312517156 -0.003039870440481215 -0.0027946025312517156 -0.011997834209065998 -0.0015239751712147816 -0.003039870440481215 -0.0015239751712147816 -0.013994153421615078" free_energy=-250.97459518 pbc="T T T" config_type=melt 
Li       8.06038006      11.72470003       8.05474999      -1.00761385      -0.53998580       0.03439184
Li       6.43403996       3.37225999      11.38899996       3.02199511      -0.61267854       2.54333147
Li       6.26265995       7.00345999      11.27479996      -0.00642705       0.04151650      -0.24904707
Li      10.97940000       0.85921100       4.43684001       1.44764173      -2.22020146      -0.49124929
Li      10.17339997       2.64325999       1.36949999      -1.14879100      -0.62981282      -0.88453077
Li       4.56698996       2.40348998       3.63475003       1.73628427       0.49095315      -0.40393261
Li       9.77207001       1.52095000       9.89686002       0.26502786      -0.45120982      -0.02329894
Li      11.43090004       7.83180004       3.24514997      -0.27605438       0.15307410      -0.03214492
Li       3.48754998       6.52485999       3.24565002       0.35564253       0.41603402      -0.42414268
Li      11.21409996       4.29471002       5.02919000       0.30492966      -0.13097868      -0.04291332
Li       1.12292004       2.37093995      10.25709995      -1.10695307      -2.05942249      -0.88594142
Li       2.33640995      11.17840002       3.27592995       0.35436165      -0.05835098      -0.09587584
Li       9.15681998      10.21579998       1.30230004      -0.07905972       0.15757892       0.34475201
Li       5.67627001       9.26809999       2.18186999      -0.34281788      -0.37579885       0.66062800
Li      10.11099994       6.23008000       0.50303097      -0.70872041      -1.15450128      -0.20424102
Li       1.26567994       4.41206006       7.55480994       5.83857177       4.22600246       1.00829855
Li       4.94328994      10.76779995       6.16754006      -0.88429731       0.23642624       0.14397936
Li       3.87294999       0.23384001      11.92180002       0.74983571       0.37952672      -0.60280076
Li       7.69471006       0.95290196       4.04302997       0.51603334       0.06683875      -0.03523644
Li       8.80578996       2.74706005       6.75804998      -0.70078047       1.63078393      -0.43986508
Li      10.51909999       8.37132003       6.30329996       0.97707267       0.39535624       0.94909337
Li       0.71878903      10.34889996       9.66909998      -0.22495817       0.01985824      -2.63983114
Li       3.56003004       4.06883995      11.84329996       1.04029304       0.41345738      -0.72669647
Li       4.78843999      10.02129994      10.47290004      -0.74911035      -0.38414035      -1.66118304
Li       1.74973994       3.32764997       1.87515998      -0.48227260      -0.48567351       0.02348386
Li       9.47595001       5.16649003       9.24711997      -0.23891289       0.18238981       0.15445897
Li       1.91957001       8.20766999       5.79943000       0.63778801       0.39269942       0.34864906
Li       7.04312001       8.70627002       5.28499002       1.96190198       0.63628244       0.34756532
Li       7.59827995       4.87703001       3.31881002      -0.27983756       0.17478653       0.74511083
Li       2.03821004       1.46034000       6.51807003       0.39330597       0.24687459       0.04180652
Li       0.04821675      11.91549994       0.89848302       0.04998572       0.14005354       0.07949269
Li       5.96930998       5.64959002       7.64134997      -1.24450563      -0.02143129       0.22634220
Li       2.23948997       9.10480996       0.78519905       0.21931441      -0.73974306      -0.39991253
Li       2.87931995       7.10986994       9.63616995       0.05856243      -0.55891698       0.43242989
Li       9.39294996       9.38380996      10.17740002      -0.15616038      -0.46452432      -0.01998010
Li       4.68711003       2.31449996       8.65754002      -0.31390353       0.17364036       0.02502646
Cl       7.54653995      10.15629996       2.96888003       0.09964429       0.40345155       0.21099914
Cl       2.87117000       8.81156006       2.71966996      -0.41447121       0.96145793       1.38276055
Cl       8.45772002       4.66430000       1.47292004       0.18374136       0.02350387      -0.50546996
Cl      10.78770004       8.15433001       0.85647004       0.42208126       1.26420026       0.94027839
Cl       2.73061005       2.29218999       4.26096995      -2.28748217      -0.71234916       1.49490041
Cl       1.66284002       3.96364004      11.06870000      -0.07681396       3.06029229       0.98254283
Cl       5.01368002       7.01047005       9.31853996       0.96255240       0.52299522       0.07805671
Cl       3.45031003       7.09065997       0.68054195       0.45303658      -1.65098168      -1.46315266
Cl       5.27108996       0.77518202       7.19729995      -0.07608532       0.08848367      -0.31190099
Cl      10.26909998       8.54136003       8.35659999       0.46984732       0.17326924       0.52926273
Cl       3.88036004       3.52235000       1.72849996       1.11090717       0.65234347       0.50511155
Cl       0.64755002       6.57592005       5.66511998      -0.69067051      -0.53245341      -0.42630881
Cl      11.70970004       1.27096998      11.32020004      -0.45759872      -0.38854992      -0.08030860
Cl       7.18838999       3.21331005       4.70456000      -1.82641641      -0.37341108      -0.23243490
Cl       2.73018002      10.11659996       5.33216003       0.97496338       1.06221820       1.36211642
Cl       5.57168002       7.83400994       4.37574002      -1.78683495      -1.60850716      -1.07699535
Cl       9.36211996       0.87746399       7.16316001       1.24476938      -0.76752738       0.33016624
Cl       5.60942002       1.52454000      11.65109994      -0.23095519      -2.04927824       0.51485202
Cl      12.06600000       3.37401999       7.23387995      -5.26928305      -4.02352829      -1.40165800
Cl       0.28884404      11.33319994       3.86816001      -1.13414325       0.07744210      -0.17534328
Cl       6.99796996      10.41400001       6.60817002       0.64443880      -0.70537738       0.03421869
Cl       5.39012004       3.98147995      10.02999998      -2.24982845       1.95893014      -2.73924044
Cl       9.90821997       2.41331004       4.61988003      -0.43982604       2.22152451      -0.07210260
Cl       1.14993000      10.21220004      11.50419995      -0.24503346       0.11385790       2.19080387
Cl       9.56213001       7.71475999       4.73952998      -0.85531053      -0.72673112      -1.83520074
Cl       3.65994997       4.71607998       6.97036994      -0.26652975       0.02075850       0.11153087
Cl       5.80438001       9.53592004       0.02124107       0.63508187      -0.12847148       0.30339201
Cl      11.67800003       3.66984005       2.23263000       1.40146514       1.22624871       0.72548251
Cl       2.38190003       0.42212404       1.13625004      -0.70077925       0.06375084       1.41141313
Cl       2.69438002       9.09570000       8.92986005      -0.39656368       1.02763425      -0.37606361
Cl       2.44356998       1.40939998       8.95948002       0.43493284      -0.71811356      -0.80839917
Cl       9.27629004       3.46732004      10.66019996      -0.17637145      -0.12094363       0.04108285
Cl       7.92899997       4.91903996       7.66697001       1.02947128      -0.42756315      -0.53938909
Cl       9.65796994       0.37225402       1.81108996       0.11395884      -0.08331235       0.05834573
Cl       8.78318998      11.52579995      10.05159998      -0.01629752      -0.41448710       1.05880572
Cl       8.72649003       6.67112001      10.83879996      -0.56096865       0.82246036      -0.06817117
72
Lattice="12.08259068 0.0 0.0 0.0 12.08259068 0.0 0.0 0.0 12.08259068" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.92777228 stress="-0.002400868630874981 0.003448066560378061 0.003600155429255906 0.003448066560378061 -0.0014967255038352886 -0.005142285677521727 0.003600155429255906 -0.005142285677521727 -0.0049960945604131494" free_energy=-255.92777228 pbc="T T T" config_type=melt 
Li       4.80266003       1.09801002      11.13820005       0.18916348       0.09265583      -0.18824701
Li       3.35891997       5.08126996       3.51069000       0.08692662      -0.26157089      -0.43173807
Li       4.77367994      10.20980000       8.90871002      -0.49664096       0.36031854      -0.00637009
Li       1.63092996       9.08907000      10.07850006      -0.72366338       0.23827429       1.25791085
Li       6.52417994       8.53317006       5.99054000      -0.29491445       0.19487987      -0.16506229
Li       1.09949002       1.67302003       5.54880000      -0.00460684       0.86982591      -0.28642605
Li       9.86198003       6.64893003       6.41681005      -0.36857323       0.03305452       0.01124726
Li       0.93161498       5.78898004       8.26299004      -1.28287276       1.00375388       0.69675848
Li       7.22869998       4.83797998       1.30615004      -0.64584021      -0.55359229      -0.27923754
Li       2.10905003       9.20737004       1.08303002       1.02458765       0.14378318       0.41121774
Li      10.56769999      10.07980002      11.98020003       0.47175195       0.15454741      -0.42335254
Li       7.50136998       9.11091000      11.87009996      -2.70222913      -0.20340287       2.69607484
Li       4.88532997       2.36436001       2.46239005       0.25362043      -0.19693693       0.61779152
Li       5.16962003      11.47920000       2.26649006      -0.38310517      -0.27347149       0.31568964
Li       9.68851994       6.66433002       2.00707998       0.49244061       0.15608659      -1.55482314
Li       6.35748997       0.38698496       6.32531995      -0.12848000       1.19858533      -0.59049724
Li       2.04613997       7.82424000       6.29775002       0.25743896      -0.28670588      -0.51337053
Li       3.38536997      11.30419998       5.10513005      -0.06070703      -0.37225527      -0.17342756
Li       1.29192001       2.73322000       0.08831129      -1.34141086       0.68969694       3.92607670
Li       9.81491000       7.11213995       9.85890997      -0.22860384       0.02865114       0.07985339
Li       3.34122997       3.42810996       9.13983005       0.21986041       0.10996759      -0.13493159
Li       7.09279004       2.81744000       8.73533004      -0.14621690       0.02692951       0.25405443
Li       9.73768002       1.34162997       5.77841997      -0.26474810      -0.74799267      -0.68957188
Li      12.03549999       9.91307997       7.08056995      -0.26030953      -0.32004828      -0.10429105
Li       4.34221002       5.86094999      11.44749999       0.73710465      -0.77745728       0.16298709
Li       5.18252001       5.38762996       7.11764997       0.12824788      -0.28673829       0.30054535
Li      11.90509996       4.32567995       4.27400996      -0.03500359       0.41325238      -0.16565632
Li      10.21320004       3.19960002       9.77060000      -0.62677589      -0.03050102       0.06135829
Li      11.75189996      10.99190005       3.37795005       0.71752900       0.08177779       0.01170300
Li       0.74728806       6.03016002       0.24508895       0.15660123      -0.02065264       0.36619909
Li       7.02828000       5.11493000       4.33298001       0.14649871       0.83737019       0.95157685
Li       4.72150997       7.90300000       2.82288998      -0.08724773      -0.09148183       0.13167516
Li       8.03670003       9.59368997       3.16690006       0.59522185      -0.15956962       0.27175730
Li       8.87101995      10.91770002       8.45530006       0.05305774      -0.24369093      -0.24686318
Li       0.93694099       0.31995196       9.96399999       0.08498106      -0.29452195       0.51021110
Li       8.72928996       0.65855605       1.49926005       0.10717743       0.10318483      -0.18412372
Cl       8.92416003      10.46660000       1.33019996      -0.46853322      -0.41044305      -0.79128652
Cl       2.44322006      10.56640002       2.77044005       0.31306650       0.63728929       0.21468809
Cl       7.00599004       3.51854006       3.00613998       1.55216953      -0.78964613       0.28597040
Cl      10.97659999       5.39566005       9.23030002      -0.01240160      -0.53134123       0.10952243
Cl       6.06635995      10.24950001       3.87757001      -0.01020360      -0.25720752      -0.23132547
Cl       5.35322998       7.57240002      11.90509996       0.23282059       1.81605168       0.46538423
Cl      11.92210004      10.58279996       9.16154995      -0.64554204       0.98903105       0.64770174
Cl       4.68382002       4.17488004       1.41000003      -0.63406646       1.15067920      -1.11241348
Cl      11.53449996       0.53266995       0.19970927      -0.00024025      -0.06026865      -0.01440966
Cl       8.85096998       8.91054005      10.64240000       2.70714204       0.39521580      -3.23262132
Cl       7.77415995       5.22177997       6.81990002       0.06907868       0.32141577      -0.33693260
Cl       4.67710005       1.12206005       8.87376004       0.02169449      -0.20898374      -0.04493865
Cl       8.64527004       1.53480002       7.60649999      -0.36963043      -0.68846621       0.10740283
Cl      11.88169997       6.88615998       5.55312001       0.80129303      -0.50880911      -0.21698769
Cl       5.42909995       4.27595997       9.31604001       0.07517001       0.74582811      -0.09593563
Cl       8.22500999       6.46182000       0.48487098       0.43172485       0.10624006      -1.33957312
Cl       9.72978006      11.35670005       3.99967003      -0.22488026       0.86497522       1.04949508
Cl       8.16460996       2.39957001      10.75249995       0.62520386       0.26057459       0.14194699
Cl       9.83469005       8.96888000       6.98835997      -0.58660551       0.26850528       0.31366879
Cl       2.15218005       2.79887003       2.99045001      -0.50407246       0.12774874       0.50199557
Cl       0.87968800      11.65549998       5.69489000       0.26600661      -0.71814274      -0.02421931
Cl       1.40290006       8.10557998       8.38669003       0.08578813      -1.24630058      -1.53324168
Cl      11.19089996       2.81991995       6.05450995       1.20709748       0.81159979      -0.44914883
Cl       0.53545499       8.30552003       0.14967406      -1.37435675      -0.08068542      -0.88153359
Cl      11.21189998       5.42101005       2.16614994       1.86662386      -1.51689287      -0.06021239
Cl       8.55643001       7.32334001       3.38524999      -1.89682644       1.15618966       3.00185929
Cl       5.00995005       6.57184999       5.09412003       0.65649654      -1.22056466      -0.61580547
Cl       6.51593998      10.82939996       7.55773997       0.74735881      -1.50895304       0.73808705
Cl       2.43774000       4.81134995       7.48890002       1.61813677      -1.10881440      -1.30039494
Cl       2.58520995       7.08386004       2.74040998       0.06722940       0.04608125      -0.19148825
Cl       1.95840997       2.32617999      10.52790006       0.86717636      -2.07327726      -3.51752316
Cl       2.49780002       5.14320000      11.00610000      -1.80464414       0.60586189       0.08416317
Cl       5.19830000       1.73574003       4.77406006      -0.54374022      -1.01751742       0.41595646
Cl       2.96078000      10.55139997      10.65510001       1.17320050       0.79159086       0.36036982
Cl       6.38528005       0.57542299       0.92792605      -0.75571488       0.24898074      -0.25414141
Cl       4.14516001       9.12832996       6.02622001      -1.19327985       0.98644949       0.90922293
72
Lattice="12.07232548 0.0 0.0 0.0 12.07232548 0.0 0.0 0.0 12.07232548" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.25288733 stress="-0.014936093093189143 -0.006292119463687035 -0.0033018117174613065 -0.006292119463687035 -0.01648519227974494 -0.0012593183509272189 -0.0033018117174613065 -0.0012593183509272189 -0.01355970127635007" free_energy=-250.25288733 pbc="T T T" config_type=melt 
Li       7.97879005       4.20692004       0.70538900      -0.60096107      -0.72034335      -0.81187017
Li       4.93335001       4.50141995       1.89564001      -0.43361801      -1.24282337       1.00296854
Li       3.32082994       7.86619002       0.80808296       2.66320222       0.88997149      -0.91399215
Li       2.06405003       2.97765996       4.12207996      -0.16468673       2.22379196       0.18056477
Li       6.36625996      11.72409998       7.10051002       0.55607450       0.18613778       1.14276032
Li       8.64991006       1.36685006      10.50769995      -0.60653861       0.41084293       0.52952184
Li      11.90069999      11.15719999       5.24983001      -1.21597326      -1.78655345      -2.98206575
Li      11.29249997       6.43743006       6.73725000       0.72340567       0.25318752       0.30501410
Li       3.98363997       8.27793998       8.10420002       0.66509487      -0.53742503       0.11270416
Li       7.27971005       0.63231895       3.63798997       0.43870961      -0.02334095       0.17056147
Li       2.31949996      11.39850006       1.64759006      -0.22952564       0.35631418       0.15203693
Li       1.89783995       3.68768003       7.32344000       0.63886853      -0.57711637      -0.27679217
Li      10.57580005       1.10406004       7.29761005      -0.62303020       0.57498625      -1.63117240
Li       5.52276006       1.96865995       9.48647996      -0.08158336       1.20096464       1.15946370
Li       3.06919004       5.80381997      10.08019995       0.50549527      -0.64156399      -0.01062537
Li       4.37267995       9.99087995       4.27973995       1.12773037       0.16026692       0.98262294
Li       9.07343995       4.45127996       4.08873994      -0.39641278      -0.66736671       0.16301711
Li       1.13247998       8.31733995       3.40707005       0.21519964      -0.04786383       0.13966847
Li      11.93610003       7.81242000      10.84329997       0.32407464       0.11701748      -0.31050390
Li       2.42944999       2.02466999       0.28895196      -0.20915901       1.72746834       0.78087102
Li      11.42320004       4.04552995      10.22749994      -0.08347056       0.28302455       0.56084262
Li      11.48499996       2.11630002       0.86299900       0.79790635      -0.13101821       0.50105143
Li      10.05740003      10.67380005       2.25463004      -0.32456020       0.56426136       0.13605138
Li       8.96603996       9.49004999       9.44541003      -1.31127114      -0.18457259       0.02658363
Li       4.82747004      10.87540004      10.79450001       0.04496558       0.56228569      -0.51585437
Li       4.97416003       6.64012006       3.94195000      -1.84544823      -2.08990510       0.99549274
Li       1.57732997       5.30666000       1.83052997      -0.04803799      -4.04108182       1.09533806
Li       6.92494002       7.03376998       9.90433997       0.91618329       0.94773131       0.67172323
Li       2.55858005      11.68460005       6.17200996       0.04053156       0.34043338       0.23348463
Li       7.63831003       7.01912999       5.84075996      -0.43615805       0.61682321       0.23488956
Li       4.95796995       3.50857005       6.34169000      -0.16971978       0.04006051      -0.42111241
Li      10.56249997       6.73626997       1.73771999       0.54647642       0.50790676      -0.26365752
Li       7.04760004       8.90985004       1.70399003       0.03686745       0.78413432      -1.03469264
Li       6.12293004       1.21803004       1.13225001       0.35002477      -0.64733664      -1.27806568
Li       0.36009598      11.63879994       9.53723999      -0.03471392       0.10496484       0.06848596
Li       8.49109995       4.77576995       7.72076003      -0.79698286       0.02163482       0.23232405
Cl      10.18330002       0.68644498       9.16287995       0.32355252       0.50181725       1.88005609
Cl       2.67641005       2.10478001       5.68848001       0.42154093      -1.60039216       2.13700322
Cl      10.65420003       6.12920005      11.54039999      -1.24249773       1.69438907      -0.50001836
Cl       1.42454998       0.44549102      11.68470001      -1.85720985      -1.89661648      -0.77641931
Cl       5.91514999       2.72569001       2.47499996       0.91251122      -0.07036671       1.65872917
Cl       3.30673997       9.02004997       2.90846997       0.03728963      -0.64309039      -1.53327033
Cl       4.32198005       1.44479998      11.88609996       0.16248365      -1.49282080       0.00591953
Cl       3.59198005       4.59732999       4.12653996       0.26425544       1.17748145      -0.53455712
Cl       5.86280004       8.66430003       6.67837001       0.14401975      -0.38690738       0.15402789
Cl       2.42610004       7.71534004      10.60750005      -0.51177545       1.08899608      -0.51563793
Cl       5.25246999       6.22026003       9.24639002      -1.68923138      -0.81543622      -0.80458813
Cl       6.54212006       3.08912000      11.28240002       1.29038127       1.26470347      -0.29545832
Cl       7.76505001      11.35660004       1.55013995      -1.04475381      -0.74736976      -0.37971923
Cl       4.11401999       2.64060003       8.23233001      -0.87280478       0.80678664      -0.25589428
Cl      10.91830002       9.94723994       9.56349005       1.77414621      -0.94793047       0.60294011
Cl       4.89528006       6.07454006       0.76113899       0.00508596       1.42985902      -1.02986961
Cl       6.29043996       9.31167003      11.24310002       0.37135836      -0.76994876       0.18802153
Cl      11.05820004       8.92580000       3.21162996      -1.13886419      -0.53501365      -0.60569689
Cl       0.77508000       6.91507995       5.24551995       0.20558980      -0.05439253       0.02803879
Cl       1.33618997      10.92109995       3.66495001      -0.10316070       0.89724568       0.68847720
Cl       9.60389999       5.33928003       5.98161997       0.57893006       0.13072694      -0.19938729
Cl       9.72665996       0.67615103       3.15747001       1.05085074       0.59766600       0.66481072
Cl       0.52998704       4.35465005       0.08068164       1.94195228      -1.99450451       0.36856798
Cl       8.89582997       7.33928999       8.75104995      -0.21602386      -0.58067961      -0.41890256
Cl       9.75273003       2.92026004      12.04150000      -0.40940462      -0.50617119      -0.80047495
Cl       5.80205005      11.41120003       5.14533003      -0.36250199       0.80749567      -1.32519687
Cl       3.24809997      10.27190002       8.34861005      -0.37341357       1.16072206      -0.15991578
Cl       1.72045004       7.03031005       1.32411994      -3.29868868       2.44246942       0.56643965
Cl       0.64853196       5.01600995       8.48511002      -0.37896072       0.06680790       0.13200883
Cl       6.62354005       0.36837458       9.79602996       1.05566275      -2.44816366      -0.69153936
Cl       6.50973001       5.12703997       5.86955004      -0.16166006      -0.40847122       0.03947127
Cl       0.29794705       0.12673298       6.69989002       1.24934294       1.34833344       2.76410069
Cl       6.13937002       7.99550998       3.32901003       2.36780020       1.45329916      -0.03385257
Cl       8.47017003       1.41759004       6.49770996      -0.45446244       0.26445343      -0.21055006
Cl       9.03432996       5.30788003       2.15655000      -0.23082807       0.47869585       0.85577166
Cl       1.76151997       2.03667000       2.52961999      -0.78947111      -1.24957189      -2.79107355
72
Lattice="12.05488631 0.0 0.0 0.0 12.05488631 0.0 0.0 0.0 12.05488631" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.5501988 stress="-0.01565627936043342 0.0032946672242441456 -0.0008243863085085406 0.0032946672242441456 -0.018757597108734446 -0.0004997892739192316 -0.0008243863085085406 -0.0004997892739192316 -0.014240573706915997" free_energy=-252.5501988 pbc="T T T" config_type=melt 
Li       4.48150995       8.98234002       5.75533001      -2.29890195       0.91618218      -1.33261321
Li       8.78712994       4.83601004       0.94887096       0.16760140      -0.26061455      -0.02764446
Li       5.19751004       8.37593006       9.40995999       0.31918296       0.36995570      -1.07200442
Li       5.91321997       0.41464095      11.25010005      -0.11119599       0.25570537       0.40646654
Li      11.38749996      10.60619999       6.61085999      -0.16376474       0.69490648       0.34888821
Li       1.02369998       7.21753999       5.25549995       0.53092771      -2.13662473      -0.67449053
Li       1.79418997       9.92345005       8.73077998       0.35665574      -1.15771280       0.71978557
Li       6.62971998       2.94829995       5.53705002       1.58682954      -2.47005370       0.49008772
Li       3.10680001       2.98131997       0.43928102      -0.14899242      -0.59755111      -0.77578488
Li       8.23010005       8.45952997       7.04009001      -1.51805673       3.39804659       1.89431074
Li       0.28448302       5.33210996       1.45330997      -0.67847082      -0.44603419       0.17438621
Li       2.43507004       1.52656004       8.60561000      -0.10885655      -0.10530835       0.33547034
Li      10.16250001       1.21816000       3.92332001      -0.55801549       3.70507934       0.10168247
Li       0.76307394       3.76537002       5.78535994      -0.00157424      -0.00173938       0.03812792
Li       4.07168998       5.73306994       5.35926998       0.47294665       0.67650579      -1.07532943
Li       9.70921001       2.62949004       7.81008997       1.08846863      -0.91665888       0.53976932
Li       7.12844003      11.80700000       7.48463998       0.26592289       0.28054603      -0.01003637
Li      11.11819994       9.59204001       1.63986006       0.58064380       0.48956147      -0.04468454
Li       4.09639997       9.77812996       2.37854998      -0.08093205       0.45122190       0.45459644
Li       8.25030006       5.63518005       8.63225998      -0.33050292       0.09046335      -0.01724921
Li       6.11077003       9.30797999       0.19957696       0.98002548      -0.61699819      -1.35034507
Li       7.39717997       6.87421996       4.11305994      -1.01819961       0.53113648       2.72311278
Li       9.33237004      10.59240004      10.02470000      -0.43360696      -1.52135778       0.00641857
Li       2.02246998      11.75950001       0.52614998      -0.51327096      -0.47419498      -0.60253997
Li      10.15109995       4.85101005       4.06991996       1.40429534       2.23047550       0.24242650
Li       1.71393999       5.57993998       8.82578996      -0.00176974      -0.39071807       0.28675307
Li       1.91297002       7.98070000      11.75859999      -0.37291546       0.74424950      -0.47604365
Li       5.19611999       5.58949998      11.56690005       0.75387657       1.01245963      -1.42444440
Li       2.70873006       0.91813498       5.11881996       0.26994278      -0.63426524      -0.28958013
Li       3.78153996       6.36818995       2.24719005       0.81023086      -0.24625029       0.70344639
Li      10.88550001       1.71236996      11.06090006       0.38798500       0.39722475       0.25000849
Li       4.72655999       4.15504000       8.17680998      -0.40343981      -0.25667570      -0.39360447
Li       1.17021001      10.51779994       4.13497006       0.09550272      -0.03517197       0.15589381
Li       7.72223998      10.65960000       4.11077000      -0.12848543      -0.01546904       0.32931559
Li       4.85359004       0.33060803       3.24980001       2.56001305       0.12954008       1.47375909
Li       9.71337003       7.34325003      10.67590002      -0.19796839      -0.98572246      -0.22070684
Cl       4.45482995       4.56911003       0.97235400       0.28935700      -1.30516489       2.08092463
Cl       7.90432000       2.20796996       7.74877002      -3.75920866      -0.59968138      -0.55602319
Cl       3.83761001      10.89510004       4.53319997      -0.92533470      -0.61699159       1.36808213
Cl       8.78628996       6.94034005       6.23625994       1.38230530      -4.04346883      -1.71433227
Cl       9.18214000      10.52250002       6.63340998      -0.89820371       0.17997266       0.40416466
Cl       0.23433602       5.41872998       3.83163995      -0.18828137      -0.15660154       0.26688618
Cl      10.66900004       7.95132996       0.32217395       0.30430034      -0.56146677       0.85740117
Cl      10.56240001      11.46109998       3.84746006       0.72282676      -3.64498088      -0.76630856
Cl       0.32896302       8.90366995       5.85484997      -0.34299874       1.58910701       0.27279974
Cl       0.99760103      11.57450005       8.04313997      -0.59088356       1.69962699      -0.84686109
Cl       9.74958001       0.47253503       9.82148005       0.00506780       1.00215153      -0.38569870
Cl       6.21598001      10.79520000       1.40396004       0.15229664       1.56761839       1.76740579
Cl       8.20151996       8.32693996       9.59887995       0.12928498       0.11900697      -0.50908752
Cl       5.77664004       4.60785998       5.15341001      -0.39693977       1.85212231      -0.58343164
Cl       2.86120002       5.50891006       6.87508996      -1.50547172      -0.74842614       1.75893862
Cl       5.02139997       7.86299995      11.37189997      -1.18989301      -1.00275065       1.32095146
Cl       3.63877997       1.80073999       6.73783001       0.88840361       0.75545355       0.94124163
Cl      10.92249996       2.89082997       0.84955702       0.21811832       0.55899063       0.43229991
Cl       8.92144006       3.43861003       4.03074002      -1.63479603      -2.75250586       0.01989201
Cl       1.77396995       9.77436004       2.10216001      -0.61144898      -0.75386749      -0.28373330
Cl       6.35565998      10.85109995       9.98445006       0.15770264      -0.30775935      -0.74807566
Cl       6.61774996       0.56510100       4.81558002       0.28829882       0.08698664      -0.05969812
Cl       0.89607598       1.81960999       4.64046001      -0.89041362       0.12516695      -0.40613567
Cl       2.10047003       6.39380996       1.12960999      -1.30506080       0.26883176      -1.04558002
Cl       0.28391005      10.42680002      11.32329997       0.46328789       0.55577913       0.08317943
Cl       6.20543006       8.84180006       4.75968995       2.44562771       0.12825211      -3.20475274
Cl       5.43570001       8.29858000       7.25428003       0.52668827      -1.15783515       3.58487235
Cl       2.09011995       3.27666999      10.15569997      -1.06641109       1.55705103      -0.49084924
Cl       2.07165005       7.84866006       9.34622002       0.03117681      -0.43553186       0.39293602
Cl       3.97543003       1.34644003      10.89490005       0.47152488      -0.92036854       0.43090592
Cl       2.92726996       7.25816001       4.18076995       1.18612101       0.50417385      -0.35518223
Cl       3.36031005       0.25775396       2.09947996      -1.85132066       1.78593739      -2.14403815
Cl       8.79515006       4.84180000      10.75290000       0.94440709       0.39829635       0.05728257
Cl       8.15621999       6.43060002       2.43375003       1.01087897      -0.50587209      -2.37305852
Cl       6.00567999       5.09857004       9.65644999      -0.30967939      -0.03726153      -1.00817630
Cl      11.24830001       3.71036996       7.54723004       2.28654009       1.71187051      -0.44674551
72
Lattice="12.01396568 0.0 0.0 0.0 12.01396568 0.0 0.0 0.0 12.01396568" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.20067526 stress="-0.0053380737547708956 0.0014249834258972106 0.0051868777275319985 0.0014249834258972106 -0.007149200394823287 -0.0012199934230871534 0.0051868777275319985 -0.0012199934230871534 -0.018563492154285217" free_energy=-254.20067526 pbc="T T T" config_type=melt 
Li       2.95569001       5.26962005       7.89216003      -0.46799239      -0.15001458      -0.54361686
Li       3.84784002       3.34264002      11.15100000       0.83845814      -0.38231258      -3.88817417
Li       5.81206994       2.64804996       1.85425997      -0.20804899       0.12860239      -0.23356782
Li       3.32739995       7.48530997       4.35194001      -0.07487554       0.05623924       1.38459305
Li       0.39313432      10.51900005       0.53282695      -0.88301345       0.20374571       0.26871326
Li       1.79133995       1.80595001       1.19239006       0.50572394       0.35034634       0.63252646
Li       6.28925997       3.90159999       8.94975003       1.40133393      -1.01461849      -0.30844284
Li       0.62095900       0.31792906       4.52707996      -0.02202446      -0.55174273       0.32866500
Li       0.53005400       1.17084001       9.65050002       0.25511710      -0.02208742      -0.92076703
Li       1.42273995       9.11186000       9.13989002       0.16117733       0.31520864       0.23377838
Li      10.12250002       6.82254994       1.30286003       0.02407710       0.18594542      -0.24207179
Li      11.97510002       3.90134001      11.77479994       0.65240036       0.04910273      -0.15456407
Li       3.00814996      10.41139997       6.74497997       2.04045673       0.17416236      -0.83043397
Li       5.49445998      11.11299995      10.75460005       0.94683598       0.19461679       1.44310794
Li       9.29260002       1.72759000       8.50280996      -0.79984598       0.17660718      -0.04767534
Li       0.43904497       3.08028997       6.59309004      -0.64423624      -0.15107836      -0.58113973
Li       8.38382004       0.77350500       4.11282004       0.06447347       0.35641680       2.45051646
Li       0.97049500       5.86621004       2.72521998      -0.35317353      -0.21737939      -0.35039304
Li      10.07519995      10.74899998       7.70997004       0.07947466      -2.00121114      -2.89778171
Li       3.58391998       1.61192999       7.84455998       0.08943542      -0.26419173       0.01348047
Li       8.01512994       8.80427004      10.24310005       0.12675968      -0.57868395       1.81697114
Li       4.66752995      10.64449998       4.04546002      -0.11266571       0.07475532       0.12326788
Li       6.35542004      10.92930005       7.31893000       0.25390305       0.43210517       0.32575646
Li       7.30714994       5.79289001       3.70972002       0.41927324       0.76192441      -0.38170350
Li       0.61623498       7.41826002       6.10749997      -0.04361378       1.22301282      -0.71132118
Li       9.06990002       4.62488001       6.60431998       0.65319396      -0.18185184       0.04826713
Li       5.53138995       7.65912994       1.23410002       1.07731912      -0.21431488      -0.18873936
Li       9.77619001       8.80847000       3.66798002      -0.43425865       0.35983176       0.14021112
Li       8.25853997       4.94134000      11.45780004       0.56455737      -0.45919332      -0.66800137
Li       6.75494003      10.99559996       1.88715000       1.72649557      -1.36263710       0.62012206
Li       3.58061001       4.20359997       4.40274995      -1.08323352      -0.42142262       0.47176798
Li       2.33606997       8.33236002       0.96385295      -1.41927872      -0.05723167      -1.37611269
Li      10.41320002       3.37960003       3.19674002       0.17309185      -1.05689530       0.45145357
Li       6.62394996       7.54962000       7.11327001      -0.28369470       1.28941231      -0.45690643
Li       8.71394003       1.62770998       0.15293430       0.27995193       0.19195105      -0.00619879
Li      10.73570004       6.14457002       9.41601997       0.24281449      -0.71491722      -0.69473768
Cl       3.77940006       3.74604004       0.88646403      -0.29436187       0.62365434       4.64428163
Cl       2.13674002      10.71870003       3.72385000       0.59188591      -0.26840526      -0.06859839
Cl      11.46839997       6.20299994       7.19323004      -1.26086961      -0.57780305       1.36386881
Cl      11.24340001       7.10142003       3.41484997       0.13337444      -0.06437402       0.66514985
Cl       9.47611995       7.00762003      10.81500002      -0.35499977       0.50016444       0.66879870
Cl      10.19710002       3.68937004      10.63349999      -1.11287373       0.22953851      -0.14754449
Cl       2.69826004       2.23299003       9.84078994      -0.59615558      -0.35779632      -0.39752022
Cl       0.24293428       1.43050001      11.73732165      -0.40372935      -0.63841382       1.04759304
Cl       3.63741000       7.75649004       2.33708996       1.14607530      -0.37348401       0.45594418
Cl       6.95410995       2.62757996      11.04139996      -0.05159156       0.34263707      -0.00879940
Cl       4.16682006      10.94110004       9.33130998      -0.14166892      -0.21051153      -1.07171471
Cl      10.93959998       4.33139000       1.54873005      -0.13310151       0.80856123       0.09888966
Cl       1.92880002       9.68437003      11.21670006      -0.27163327       0.03656719       0.48770038
Cl       7.49184004       5.81677005       1.19495997      -0.57106746       0.39940970       1.14764020
Cl       4.61862998       4.95909003       9.19183000      -0.90439594       0.98170511       0.60159137
Cl       5.59243999       4.57912999       4.06124000       0.13956648      -0.33258105      -0.03726815
Cl       6.75317998      11.55470000       4.20984002      -1.07518219      -0.37906695       0.41077508
Cl       9.91018994      11.84359563       9.19234996       0.34462655       1.70436832       3.29001407
Cl       2.09437001       8.75102006       7.15656005      -1.24205863      -2.28941162       0.33234937
Cl       2.44174001       3.38110994       6.58282002       1.87112425      -0.71679525       0.42952269
Cl       6.66838000       9.32864996      11.95898569      -0.54380104       0.20703356       0.25614157
Cl      10.77440002      11.23889994       5.56400005      -0.17868984      -0.04335324      -0.17277073
Cl       8.31698996       9.14976994       8.34646995      -0.13020128       0.63857836      -2.28418769
Cl       1.04592997       6.23859996       0.39263430       0.47476236       0.45689809      -0.20615980
Cl       9.18657004       3.21750004       4.84034003      -0.78267304       0.24387279       0.73746763
Cl       7.72271001       5.94140004       7.72215004       0.22905866      -1.47086012       0.41900454
Cl       1.99840005       5.95393998       5.49755994       1.34830968       0.31303564      -1.88359360
Cl       5.48122996       0.36676703       1.36719002      -1.61005426       1.38624979      -0.97922162
Cl       6.54037997       1.25001000       7.52705994       0.05315613       0.33645958       0.20841540
Cl       9.91885994       9.45698999       1.53246001       0.49684121       0.26419790      -0.51325223
Cl       9.08416000       1.01771997       2.36169997       1.04199789       0.54672376      -3.04065699
Cl       1.24886002       2.25056994       3.59671005      -0.04959258       0.40180730      -0.41871194
Cl       2.01397003      11.93738518       7.39847999      -1.81352501       2.31093811       0.20127667
Cl       7.21608000       8.45780997       4.11397999       0.47747187      -1.33794638      -0.42234646
Cl      10.81429996       3.06371995       7.86575994       0.03015298      -0.09364899      -0.54317271
Cl       5.17698000       9.31590002       6.45688002      -0.60254607      -0.30015129      -0.54175470
72
Lattice="12.03473156 0.0 0.0 0.0 12.03473156 0.0 0.0 0.0 12.03473156" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.24683854 stress="-0.006298678440933096 -0.00036025005764458106 -0.0010356165284520923 -0.00036025005764458106 -0.01315612250007437 -0.008516261817119133 -0.0010356165284520923 -0.008516261817119133 -0.007599690959115511" free_energy=-255.24683854 pbc="T T T" config_type=melt 
Li       3.94044996       0.43017101       2.21189003       0.08418945       1.57097034      -1.51510292
Li       1.25401000      10.25809998      10.26110000       0.90816103      -3.49923396      -1.05265235
Li      10.23090004       4.96434001      10.23190001      -0.14250472       0.21087331      -0.04315335
Li       8.72268005       3.12835000       8.61909001      -1.23479934      -0.38871737      -0.27069878
Li       7.01494995       6.46657995       8.17382997      -0.62353831      -0.18640279      -0.52534397
Li       5.83670003       3.54188998      11.73850001      -0.14807354      -0.12010742      -0.07499046
Li       0.00896840      11.58970006       0.67062603      -0.76501716      -0.00368283       0.87860318
Li       2.42525006       5.00858004       2.66089997       0.29287994      -0.16355287       0.17540591
Li       9.41761996       8.57378996       7.19235995      -0.03791263      -0.81839394      -0.52408108
Li       8.46407003       9.25518996       1.31403997      -0.02807452      -0.35710220       0.04523832
Li       5.10833003       2.12316999       7.54497000       0.49338524       0.32703486       0.01923529
Li       8.50246997       3.32636996       2.00352996       1.92731510      -0.83508583      -0.45870356
Li       2.66783005       0.59205500       4.79613995       0.11588884       1.31532583      -0.20551995
Li       7.09355998       0.35233795       4.68761002       0.13515251       0.14418493       0.34405160
Li       5.40069001       3.76086998       4.23974001      -0.37887996       0.59211754       0.11794458
Li       4.45903003       6.51805996       6.92453999      -0.69466313      -0.95119092       0.43336911
Li       4.10385995       9.60514996       7.70152994      -0.58610147       0.25912314       0.46102046
Li       4.50846004       8.50460999      11.75930000       0.23242870       0.22141954       0.12851970
Li       7.94553003      11.36109998       8.99223998      -1.13858232       1.62264408      -0.40459421
Li       2.78998005       3.71698004       9.87916997       0.07823581       1.35859328       0.52240046
Li       0.66778800      10.32649998       5.98724995       0.08853691       0.05282364       0.32245869
Li       9.97003003       1.94938004      11.21370003       0.53618688      -0.16369634       0.33458224
Li      10.02290005       4.72658004       6.17894998      -0.12466046       0.38468220      -0.29787374
Li       6.06520998       6.51743006       2.46527998       0.41458119      -0.31392590       0.28505667
Li       9.94150001       8.51570998      10.90660004       1.45999230       1.78242193      -1.41149827
Li       1.24194001       4.25071003       5.62057996       0.72653198       0.42622611       0.08436452
Li       1.71867003       6.63230001      11.94069999      -0.26443377      -0.16272283       0.13251966
Li      11.32039996       1.32616002       4.15323003       0.08570621      -0.11230195      -0.14844905
Li      10.80730002       6.64067004       1.32365006      -0.00216321       0.32215049      -0.16845631
Li      10.39100000      10.55770005       3.39710999      -0.56426317      -0.62745981      -0.08556502
Li       7.28420998       0.22621697       0.00020543      -0.32464872      -0.24850849       0.13326291
Li       5.08741006      10.04869998       2.68567996       0.26197669       0.37410934      -0.24810755
Li       0.94770502       1.48487996       8.38798995      -1.14397904      -0.28611817      -0.35908427
Li      11.50810001       7.67897999       4.37262006       0.32353887      -0.85842828      -0.38565130
Li       3.95291000       0.42092797      10.32759995       0.28182717      -2.50855095      -0.89305265
Li       0.75454301       6.84294006       8.09029004      -0.18077160       0.90990117       0.33237155
Cl       3.58947001       5.39306998       5.32856995      -0.22282534      -0.54874511      -0.81134037
Cl       4.41594004       6.30203003       0.99891305      -1.00624401      -0.21298061      -0.83168538
Cl       1.93569005       9.00975003       7.67756001      -1.30363711       0.42678671      -1.23935080
Cl      11.67850002       3.33969999       4.54238005      -1.19343355       1.05210459       0.06655562
Cl       3.64298004       9.84810002       9.91623995       0.56430173       0.00729665       0.69083287
Cl      10.66299998       9.33249000       5.41315005       0.07264660       1.17683889       1.33936398
Cl       2.90044998       2.05380998       8.72992002      -0.03855042      -1.09635610      -3.40889813
Cl      11.74759995       5.35838997      11.79939997      -0.13104158      -1.65260159      -0.65404822
Cl       4.70569004      11.51650001       0.29601504       0.08703365      -0.65702935       0.58001725
Cl       6.87466000      11.68639997       2.53545005       1.04356842       0.50761599       0.31597531
Cl       5.49093004       8.29745002       6.88403000       1.42788827       0.28076076      -0.05502455
Cl      10.13750006       8.40696005       2.69695001      -0.21233780      -0.17051485      -0.58574291
Cl      11.95800004       6.20485005       6.26281004      -0.42522489      -0.25562116      -0.72798438
Cl       0.98530899       6.59792003       2.21318003       0.21077968       0.49383290       0.86494643
Cl       2.62820004       2.83091005       3.20379995       0.39203289      -0.49862071      -0.24412913
Cl       0.94038694       0.79795096       5.89565000      -0.67208898      -0.58456683       1.66233368
Cl       0.27220300       8.20689997      11.21149996       0.17596107       1.49458062      -0.56608568
Cl       9.20611004       9.94914002       8.75471999       1.65013492      -1.69210991       0.46339134
Cl       7.91854997       6.06005995       5.24330003       0.28140926      -0.30982350       0.04849779
Cl       2.45609002       5.93958001       8.80169997       1.06118873      -1.05915328       0.95170324
Cl      10.37150001       1.83872995       1.48396003      -0.42173282       0.41669884      -0.06087195
Cl       6.37030005       8.62772998       1.88102999       0.20324162      -0.58027174      -0.32782930
Cl       6.61079996       0.85139396       9.53275997      -1.42805034      -0.34766395       1.29053753
Cl       8.15185997       1.02088004       7.12518003       0.68413909       0.09849559      -1.33619868
Cl       9.07633002       6.19041006       8.50041998       1.06196132       0.00649913       0.19054493
Cl       0.14296840      11.62209997       3.11478999       0.77423373      -0.40275954      -0.71455595
Cl      10.87760006       3.15500994       8.67989994       0.70406886      -0.18392620       0.22919904
Cl       3.92208002      11.35490004       3.85146997      -0.43770207      -2.16761995       1.29898887
Cl       5.40748000       1.75313003       4.94780994      -0.14643185       0.10039532       1.11267979
Cl       3.93350002       2.15181000      11.11030002       1.00093014       3.89882758       3.78762340
Cl       8.86015002       7.32751997      11.93250001      -1.62875303      -1.80482754       1.09676337
Cl       0.81007295      11.99189020      10.79030000      -0.60854330       3.24040313       0.09477797
Cl       6.00239999       4.34797004       8.36084994      -0.16382223       0.09327854      -0.04556428
Cl       9.46994000      10.87499996       0.18566847       0.04041151       0.38246640      -0.45719765
Cl       6.68418005       4.02956004       2.31565000      -1.54619375       0.64918715      -0.07040547
Cl       8.12866002       3.10334003      11.00740006       0.08723385       0.62970423       0.37435437
72
Lattice="11.97359495 0.0 0.0 0.0 11.97359495 0.0 0.0 0.0 11.97359495" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.02909896 stress="-0.010478804379018438 0.003185766153204375 0.002179317545063506 0.003185766153204375 -0.021964434565540255 -0.0011557590505067992 0.002179317545063506 -0.0011557590505067992 -0.018992833296247787" free_energy=-251.02909896 pbc="T T T" config_type=melt 
Li       1.76493005       4.02228999       8.83764997       0.64155452      -0.61987076       0.35046651
Li       3.27188001      11.66750005       3.36375005       0.08491173       0.22113759       0.05150036
Li       6.59495001       3.83530003       7.33211995       0.25836086      -0.11594004      -0.11944611
Li       8.95626004      11.35500000       5.82671003       1.29140852       2.26783817       1.32047854
Li       2.46166994       8.72526006       1.26602998      -0.22961971      -0.72084145      -0.84283159
Li       8.07638005       4.05324006      11.75739996       0.22422297       2.76253888       0.04915958
Li       8.40179004       9.24566003       3.12363996       0.50230318      -1.80131057      -2.36056743
Li      11.32400000       2.99184001      10.97430003      -1.28389130      -2.99240804       0.35421671
Li       0.66363494       9.01843999      10.14190002       1.26432896      -1.35278304      -0.49061148
Li       2.34940001       9.99564004       6.86889006       0.33954017       0.08235083       1.18485358
Li       0.33300495       0.57102002       7.42926005       0.19057573       0.44607702      -0.54153882
Li      11.37930005       7.32547999       6.81158000      -0.21893359      -0.27858148       0.05103404
Li       4.33889004       2.36725001       1.89458995      -0.10447170      -0.57961104      -0.30552979
Li       5.83961996      10.92170003       1.79036005       0.48280174       0.11513888      -0.75901767
Li       5.90687002       9.92631005       5.72294997       2.22223840       0.19496422      -2.09149264
Li      10.10239997       3.90865998       6.16786996       0.10321803      -1.30656002       0.05704442
Li      10.59200002       5.78140997       9.41447000      -0.25029766      -0.04464050      -0.07226667
Li       4.47167996       7.11076003      10.81969996       0.82306389      -0.41885098      -0.36842765
Li       8.33163998       1.29248995       8.90807997      -0.17927322      -0.18627989       0.06960782
Li       4.68037002       6.92239000       7.32265003      -0.18739634       0.12269321       0.03720538
Li       7.88167994       7.48246005      11.55250002      -0.82998702       1.02653922      -0.96064158
Li       0.61614803       5.62404999       0.35559194       0.63740666      -0.23492405       1.29700325
Li       0.69081596       2.02759001       2.82572003      -2.46727441       0.81970807       1.51366165
Li       0.16170508      10.64829999       4.39397995      -0.33521380      -0.83189239      -0.64891231
Li       5.31353995       2.71482000      10.78449999      -0.24990572      -0.59056926      -0.25966516
Li      10.53360001       6.20715006       3.27288004       0.27231747       0.43432398      -0.82015904
Li       3.80991003       5.64056002       2.97917004       0.24834565      -0.22762598      -0.22158446
Li       5.53281000      10.80379999      10.09179998       0.05854097       0.27232324       0.31526721
Li       1.75787006       7.91369997       4.22352002      -0.09565852      -0.21102383       0.15413192
Li       1.80779995       4.70170003       5.74835997       0.61717847      -0.70155582      -0.37372101
Li      10.81760003       8.96454996       0.83762900      -0.36049952       1.02537114       0.37670572
Li       7.50774996       2.09937004       3.23717000      -0.12834429       0.37150263       0.20100269
Li      10.05959999      10.67570000       9.32969994       0.43650910      -0.17287271      -0.30756134
Li       1.69201002       0.48854698      11.31589999      -0.08198354      -0.62865374      -0.02312776
Li       4.02182997       1.24885002       7.13957999       0.69056289      -1.69264479       0.70115407
Li       8.93804006       0.36492201       0.26514496       0.87822808       1.10564713       2.33181403
Cl       5.58649996       4.05116994       2.17106996      -0.11089336       1.06256930      -0.22284982
Cl       8.06880005       4.40267997       9.08685005       0.63824472       0.43147603       0.12615279
Cl      10.78519997       8.66597999       3.19298001      -0.12656723       0.02902024      -0.12421350
Cl       8.04916000       3.30887998       5.15505003      -0.36257476      -0.46487244       0.13189331
Cl       0.13950507       7.54369996       0.19108600      -1.16589568       1.01240273      -0.93683337
Cl       5.68987004       0.82991705       2.85003996      -0.32471201      -0.01253097       0.94984561
Cl       1.25399999       6.12238000       2.29117996       1.39613641      -0.81213035       2.59761370
Cl       2.28844004       1.49673002       1.94592003       2.00201320      -1.12098809      -0.54349252
Cl       6.09165994       8.57872996      10.37400001       0.72545289       0.03992052       0.20306145
Cl       4.52350001       0.52454799      11.63190004       2.82889057      -2.92042095       1.00101326
Cl       0.69309202       8.98130006       6.13235999      -1.23536860      -2.44507833      -0.31391762
Cl       8.34422003      10.90799996       1.86124002       0.07247603       0.48670087      -0.71932293
Cl       4.46937002       9.77431999       6.94830002      -1.09695277      -0.59661476       1.84184005
Cl       1.61802002      11.45200001       5.63708002       1.24695942       3.04020802      -1.28373134
Cl      10.52710003       1.61904005       8.30228000       0.06580115       0.37462660       0.65818067
Cl      11.86570005       2.09722006       5.32571003      -0.38341532       0.55056788      -0.74596602
Cl      10.02979999       5.80648004       5.26601999       0.26266115       1.13314290       0.53854776
Cl       7.96822006       2.17135996      11.60289999      -0.92552163      -1.42737068      -0.11454298
Cl       0.03080507      10.53770001      11.19660000      -1.04982244       2.14394428       1.58730000
Cl       2.30136003       9.64678001       2.97200995      -1.48835793       1.27509805       1.48222911
Cl       8.59856996      11.32790004      10.69279997      -0.89124017      -1.73089450      -1.72505301
Cl       2.83419997       8.17609005      11.32320005       0.07047838       0.46512098      -1.16652136
Cl       4.03578998       6.34720999       5.09941005      -0.60948928       0.02214463       0.27991172
Cl       8.13933997      10.06269996       4.76703000      -2.06004614      -0.94749470       1.70328926
Cl       5.14395002       9.25063003       2.90056003       0.93087123      -0.59197829       0.30037983
Cl       8.72621004       6.08557005       0.77279498       0.53541658      -0.70885311       0.65845585
Cl      11.14289998       2.27989006       1.11899998      -0.32597619      -0.10223540      -0.00226072
Cl       8.30425002      11.06759996       7.77082996      -0.16373034      -0.22105917       0.06778973
Cl       2.89323004       2.13787005      10.69310003      -2.11469968       3.67521870      -1.98012827
Cl       6.02286003       1.73794995       7.94881002       0.21623930      -0.18065674       0.53799997
Cl       4.72924001       5.59730996       9.20985000      -0.23101317      -0.40428413      -0.43238375
Cl      11.04620003       7.97283001       9.10851998      -0.95007961      -0.10629378      -0.78174293
Cl       3.00855994       2.80360995       6.63637003      -1.23491264       2.17231700      -0.53340568
Cl       1.73051997      11.49110002       8.73379998       0.51283683      -0.34784605       0.37688091
Cl       0.77022005       5.40856994       7.44425003      -0.59035947       0.50671448       0.24862271
Cl       0.14007202       4.67617998      10.70890003       0.67228290       1.16169541      -2.51384680
72
Lattice="11.99056828 0.0 0.0 0.0 11.99056828 0.0 0.0 0.0 11.99056828" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.06242589 stress="-0.011351927692540202 -0.0010550101643325642 -0.0018180062311392332 -0.0010550101643325642 -0.012801359178340096 0.003793958394527586 -0.0018180062311392332 0.003793958394527586 -0.016466190398426266" free_energy=-251.06242589 pbc="T T T" config_type=melt 
Li      11.86829998       5.79994999      10.50040000      -0.04728781      -0.06067853      -0.34170618
Li       9.43732005       9.36914000       1.86728005       0.17281101      -0.06161279      -0.14941467
Li       1.33763998       0.44592696       2.51113004      -0.21203113      -1.45842488       8.05958539
Li       8.20200003       7.40924001      10.54930005      -2.89428416       0.99669675      -2.33211368
Li       8.47093996       5.00387002       0.58566504      -0.57646940       1.07251811       0.31796326
Li       4.06667006       3.01655000       4.49718997       0.00183085       0.66639694      -0.33213101
Li       6.87843002      10.82849996       4.66149997      -1.68492582       0.67698541      -0.84391285
Li       4.48567003      11.70400005       3.02412000       0.37626552      -1.57529332       0.48648365
Li       3.52254994       6.89390001      11.29070003       0.62812562       0.06113016      -0.04350936
Li      11.92470001       1.13098997       8.57351004      -0.71506970      -1.52108954      -1.33332033
Li      11.61100001       8.94304005       5.04318997       0.44270368      -0.13835422       0.13070715
Li       1.94668998       7.32633003       7.62336002       0.85949223      -0.11547174      -0.25912077
Li       2.32930002       0.94899497      11.04249995       0.14936786       0.35485991      -1.72811216
Li       5.79260001       8.10939999       1.78102997      -0.56742615      -0.48831889       0.14814314
Li       5.36698999       9.15537994       8.87160996       0.15491350      -0.12521796       0.08080695
Li      11.97000002      10.79040005      11.33849995      -0.40610144       0.20786932       0.15369752
Li       7.06463000       2.64759997       9.64794997      -0.53357557       0.20532191       0.10385342
Li       8.46361996       1.20461002       0.69384802      -0.92589770      -0.50382281       0.07673450
Li       5.27131005       6.03116999       7.39126998      -0.26438172       0.38145654       0.69495495
Li       0.60053502       8.00134003       0.91321103      -0.86454888      -0.13792412       0.58585970
Li       3.05275000      10.65719994       6.68198998      -0.07890994      -0.27431196      -0.17426968
Li       6.92895000       6.62061997       4.74181999       0.31717094      -0.23740018      -0.13382245
Li      11.92045331       2.25753995       5.01759994       0.37912236       0.87107861       1.29232009
Li       8.27303000       4.37088001       6.71129001      -0.29158136       0.80406504      -0.47043247
Li       3.43913995      10.46790004      11.81329996       0.01540663       0.09602888      -1.87737920
Li       8.70646002       0.45528595       6.38851003       0.66800990      -0.02968204       0.29966168
Li       5.10137001       0.97951900       7.73269998       0.46475740      -0.46796821       0.07169656
Li       9.10452998       2.91095997       3.45086001       1.07584921       2.02103658      -0.61887221
Li       4.98890999       3.73640005       0.95143996      -1.58287729       1.48101412       2.04029626
Li       3.57250996       7.49360001       4.38248004       0.32951793      -0.02180509       0.13070717
Li       2.36087994       3.73841998       8.47975003      -0.16765370       0.18059301      -0.17828543
Li      11.25869996       5.28190996       6.45889994      -0.35956366       0.25103555       0.32644653
Li       9.13393002       8.83023998       7.42220002       0.03642372      -0.52753844      -0.88551104
Li       1.01465999       5.15995005       2.75037005       0.53409055      -0.41116633       0.74550126
Li      11.18869999       2.54252998       0.94460402       2.39884849      -0.44256553      -0.28005976
Li       8.21368999      10.99500003      10.31779995      -0.37446113       0.40451301      -0.15668039
Cl       4.01035000       8.23675997       7.21169995       0.33165111       0.50651305       0.08603471
Cl       7.38555000       9.38618004       1.61947997       0.62504828       1.46512831      -0.99161404
Cl       5.13128995      11.76109998       5.92238005      -0.16159089      -0.11676244      -0.72898451
Cl       3.62718995       4.91482003       2.75256001      -1.85611794      -0.33945859       0.05851548
Cl       6.22385998       2.84457000      11.78190002       1.47605246      -1.21110121      -1.46482143
Cl      10.12620002       3.56563997       7.27087005      -0.36178968      -0.79641319       1.12439054
Cl      11.42430002       2.62490003       3.07009004       0.32078432      -0.07443790      -0.50639570
Cl       8.04449996       9.27164002       9.12694000      -0.23589003       0.26593009       0.33244393
Cl       7.49042995       6.59348999       7.53852004       0.49230553      -0.23918099       0.09122606
Cl      11.92350000       6.96257000       7.85548999      -1.70626015       0.26363568       1.36667157
Cl       8.38374994       1.36207999       4.35782000      -1.45742123      -1.62185993       0.49501653
Cl      11.97250677       5.17768998       0.79416304       0.54987973       0.40903297      -0.28470393
Cl       1.47863995       7.47091002       5.20759002      -0.02937677      -1.29994388      -0.97155202
Cl      11.43450004      10.02409997       1.27199006       0.63657227      -1.26811842       1.40140074
Cl       4.50177996       2.86342996       8.28756005       0.17895374       1.23273834       0.00806035
Cl       5.59089995       4.98807005       5.57008996      -0.21749684      -1.06492962      -0.64988790
Cl       9.34660001       3.06987002       0.62153902      -1.45760112       0.87239665      -0.27834370
Cl       1.10134005      11.35130001       9.67557996      -0.18185519      -0.09178492      -0.63314039
Cl       6.11424005       8.56853995       4.13299996      -2.02812455      -0.18872237       0.37765286
Cl       6.19452997       5.93392996       2.16509998       1.67870358      -0.37870941      -0.86116786
Cl       1.09114003       4.46241996       5.90747997       1.51811742      -1.71348383      -0.37156418
Cl       9.55355998       7.00012002      11.74132130       2.37127850      -0.98422296       1.93395841
Cl       9.60010005      11.69909999      11.71760000       0.38559493       0.33733677       0.03759241
Cl       9.86810999       5.37781004       4.79238997      -1.08643565       0.49903684      -1.25051217
Cl       1.39531006      10.23330002       5.02656001       0.48040456       2.18419118      -0.18168625
Cl      11.29389996       0.64998904       6.19000006      -0.34597833      -0.90879599       0.91476661
Cl       8.36277005       9.85950005       5.37679996       3.40027955      -0.65346764       1.79522192
Cl       3.13540998       5.80007997       9.47471000      -0.50746122      -0.44245755      -0.42627337
Cl       0.52517394       2.71004997       9.56436000       1.03232836       1.85663220       1.42769509
Cl       8.03350005       0.86281899       8.94478000      -0.11799201      -0.14749992      -0.77764336
Cl       3.46906002      10.16450006       1.75665003       0.84541513      -0.13517107       2.40675241
Cl       1.41811995       0.71490502       0.87095399      -0.75583729       1.37573773      -7.68802707
Cl       2.15344000       8.56431004      11.68440003      -0.01880350      -0.40803497      -1.23394583
Cl       5.77582005       7.74222996      10.72959995      -0.51933093      -0.05682238       0.39570494
Cl       3.75375999       1.48356004       2.57057999      -0.00128668       1.86231916       0.53286752
Cl       4.11241995      11.89259994       9.33880003       0.26561970      -1.12320302       0.90752609
72
Lattice="11.96496075 0.0 0.0 0.0 11.96496075 0.0 0.0 0.0 11.96496075" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.98886041000003 stress="-0.01403086736390855 -0.004136918804051993 0.005522711232411962 -0.004136918804051993 -0.019872204391612105 0.004605421159070255 0.005522711232411962 0.004605421159070255 -0.0230772283155263" free_energy=-249.98886042 pbc="T T T" config_type=melt 
Li       5.54574997       4.76415004       4.18487006       0.01209418       0.05524457      -0.98559737
Li       0.79101396      11.88179997       1.40361996       2.34328737       1.32509570      -0.71660816
Li       0.71687895       3.30546997       2.73909001       0.04766989      -1.25749781      -1.11320248
Li       8.44719002       1.98041996       4.38010998       0.02219946      -0.54904413      -0.44672748
Li       4.74517002      10.49900000      10.46110003       0.09330493       0.70354897       0.67554859
Li      10.17260006       8.61762000       2.18904999       0.21875940       0.35201336      -0.02015006
Li       3.27650998       6.68951001       9.03854002       0.34560850       0.97645635      -0.06394675
Li       5.44208998       2.36808002      10.54359999      -0.11974337      -0.11360189       0.28277214
Li       7.85369004       6.18366999      10.91580001      -0.23087593      -0.21059429       0.00687535
Li       7.31347996       0.33785496       8.63017005      -0.01285113      -0.40948953       0.68602328
Li      10.32500004       3.86103002       8.24044005      -0.71405051      -3.30238070       2.63153633
Li       2.61085004      10.47210002       8.04260995       0.23825027      -0.01458863       0.52680032
Li       7.12811998       3.63173004       1.52904002      -0.56566129      -4.52962710       1.67908603
Li       1.56901005       4.88747995       6.51738998       0.33723613       0.31035153       0.35497567
Li       3.81466005       4.73604997       1.61309004      -0.08620493      -0.82626072      -0.35602206
Li       9.58816999       2.01888001      10.86160005       0.01027666       0.23461691       0.51404228
Li       8.67773005      10.08990004      10.79440004      -0.71504457       0.62167827       0.41531826
Li       9.78845004       5.10731995       4.56560001       0.58633523      -0.10349466       0.20680337
Li       9.73202998      11.96424764       2.42451994      -1.18093068       0.40171666      -0.14832179
Li       0.90497100       4.49841006      11.01000002      -0.02675002      -0.02955497      -1.31886672
Li       7.17082006       7.54727996       2.99454000      -0.17274330      -0.06133752      -0.66360020
Li      11.16250003       8.07743002      10.57860001       4.47627819       0.06308332       0.66225523
Li       6.39218995      10.78590002       1.62085997      -0.34100422       0.17991197       0.75140213
Li       4.34416006       1.75943001       6.16404004       0.11524888      -1.11854173      -0.01433287
Li       3.91094999       1.38253997       1.94307995      -0.11531508      -1.25447832      -0.20422180
Li      11.15379995      11.49040002       8.43822001       1.20197651      -0.31704732      -0.76388803
Li       9.17420999       7.92969003       7.81448003      -1.04392160      -1.60547580       2.35765568
Li       0.26897902       7.78701996       6.81544995      -0.26670909      -0.94824023      -1.13166687
Li       1.96169001       1.37649000      10.33030004      -0.79185534       0.68381541       0.73752007
Li       0.99972703       6.11539996       2.79603999      -0.12200035       0.61785693       0.35213667
Li       7.09261001      10.74080001       5.33098001       0.45923701      -1.57034638      -0.93865363
Li       7.32263004       4.91639998       7.37759994      -0.13520504      -0.35336495       0.06959512
Li       3.74216998       7.91483996       4.91612000       0.73229479      -0.08010376      -0.13177557
Li       2.40462999       8.91198998       1.69340006       1.88271221       0.85776303       0.41072322
Li       0.34425095       1.63169999       5.29507998       0.14815317       0.05678882      -0.77326149
Li       6.03719997       8.52766001       7.14990997       0.09276267      -1.80635359      -0.87003476
Cl       5.04383004       2.95941997       2.62344998       1.53221314       1.52707038       0.97157746
Cl       6.57520000       0.03002942       6.73461994      -0.10141856       4.86000149      -1.67286742
Cl       9.42127997      11.92480000       9.49343000      -0.54545679       0.34949503       0.43899424
Cl      10.87539996       1.54220004       3.43352999      -0.36775758       1.41770471       1.04858222
Cl       6.66490000      10.99810003      11.50869994       0.38810121       0.85781353      -1.72264286
Cl      10.36840006       4.86920000       6.81944003       0.08472943       3.54209912      -4.11446593
Cl       7.14621005       5.31378002       1.02569997       0.42925271       5.42419131      -1.71305222
Cl      11.45990001      10.82159999       2.25817002      -1.77075212      -3.11767008       1.22016574
Cl       9.60098004       9.00712996       6.34308000       0.69075299       1.37928038      -2.07564128
Cl       1.04400002       8.71954998       0.34343924      -2.04620375      -0.69781821      -2.21963481
Cl       3.65194006       2.38467004       0.07463922      -0.32706665       1.09864243      -1.49802666
Cl       8.12222994       1.84518001       1.18401004       1.04335150      -0.56387570      -0.92641288
Cl       7.95233001       9.07739001       1.35771997       0.82377199      -0.89552829       0.87282153
Cl       4.95231999       3.67408002       5.87127994      -0.39612848       0.74664198       1.32887176
Cl       0.80085299       1.12355995       7.39460000      -0.19138899      -0.16921866       0.28070734
Cl       7.54898006      11.87163214       3.58055997       0.25404371      -0.00829570      -0.39396517
Cl       6.93242001       6.82458006       8.64396002       0.14403562      -0.26917755      -0.57435651
Cl       3.97610997      11.07209996       1.26467996      -0.28255232      -0.46016777       0.29575503
Cl       2.26979996       1.55173002       3.31194995      -0.93663648      -0.28050030       0.71235865
Cl       4.07018998       9.06883997       9.13972003      -5.64078998      -4.18143768       2.16887278
Cl       1.26174998       4.80756000       0.99901500       0.40001963       0.13741745       1.37827137
Cl       7.94001005       4.08878999       4.87250999      -0.71352817       0.22716753      -0.08449702
Cl       1.29493994       5.83819001       8.95194996      -0.21791530      -0.47799811       0.20518543
Cl       5.97820003       8.52414996       4.65109002       0.26646933       0.22839975       0.68764738
Cl       5.86150996      10.12310006       8.19626996       4.33784444       1.96434626       0.61818911
Cl       4.34872995       6.63280997       2.37657000       1.15645699      -0.44400648       0.06893570
Cl      10.52409997       6.58664999       3.21313996       0.07658620       0.54956893      -0.47404824
Cl       3.58161002       0.53289004       9.57356999       1.57231687      -0.95711094      -1.57504451
Cl       9.33356999       8.08339001      10.36319997      -2.79291737      -0.51507966      -0.68018108
Cl       2.20172005       8.08098995       3.55565000      -2.17501603       0.24303745       1.19750465
Cl       7.45847997       3.55618998       9.66295004      -0.17844946      -0.52016864      -0.29023849
Cl       0.28353930       1.07363998      11.65230005      -0.73839336       0.41941038      -0.55185065
Cl       0.69630699       9.19068000       8.14160002      -0.24301575       1.66697659       1.27248830
Cl      10.96350000       4.10827995      10.03820005      -0.34408047      -0.49548777       2.27655574
Cl       3.17406000       6.90342998       6.73632998      -0.08568958      -0.41268204      -0.36193262
Cl       0.71914104       4.27253002       4.52796997       0.17239242       0.84844111       1.22518228
72
Lattice="11.94302833 0.0 0.0 0.0 11.94302833 0.0 0.0 0.0 11.94302833" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.28096071 stress="-0.021668619108088788 -0.0034060783868354897 0.004346807679993829 -0.0034060783868354897 -0.016754992197174873 -0.002684149939631924 0.004346807679993829 -0.002684149939631924 -0.005585119876191868" free_energy=-253.28096071 pbc="T T T" config_type=melt 
Li       5.04023002       4.75285997      11.10709995       0.00940903      -0.40093096      -0.54671512
Li       8.08494004       7.55371999       4.00396999      -0.46363402       1.22405932      -0.79867970
Li       7.23707997      11.64789998       3.17220006      -0.24152400      -0.50634732      -0.40455163
Li       4.48484003       7.94951995      10.34310001      -0.39792688      -0.51493773      -0.08448635
Li       5.62350005       7.33908000       2.15293998      -3.09860875       2.13030782       0.05911288
Li       1.53380001       6.58025999      10.67149996       0.80570385      -0.43638088      -0.58909883
Li       9.10258996       9.08070997       9.48577999       0.32399785       0.00671714       0.02619462
Li       3.66966003       6.86544995       5.81127002      -0.72192735      -0.53334956       0.21381675
Li       2.16868005       3.27731996       0.17988601      -0.51582436      -0.18558210       0.86825963
Li       4.34463998       1.25569000       1.70973002      -2.34548428       2.87716693       1.08483493
Li      10.97490006       7.04761004       6.86105002      -1.73365870       0.19222229       0.55159865
Li       0.86247797       0.27227095       3.29362005       0.19995657       0.15447433      -0.83341272
Li       0.50127505      11.92450004       7.15702000      -0.09498964       0.13831114      -0.21727372
Li       1.85984003       3.27871001       4.45606999       0.20517758      -0.06640837      -0.86626115
Li       2.36392002      10.38439995      11.15139998       1.92575848       3.27029223       0.49416950
Li       3.40052998       0.80358905       6.94908997      -0.03024593       1.55290665       0.52310011
Li       4.13166999      10.06590005       4.01852998       1.00635224       0.36049554       0.86775296
Li       1.64853000       7.88779002       1.63189002      -0.15389115       0.23968772      -0.10060397
Li      10.90370002       4.40864004       1.22602997       0.55902876       0.05173532      -0.27673111
Li       4.27574005       1.72374003      10.07979994       0.06726792       0.11689986      -0.18071839
Li      10.61270002       3.79656999       8.94022998       0.27346794      -0.39305917       0.50544729
Li      10.95079998      10.12590003       1.05628000      -0.91137380      -0.32063609       0.15265136
Li       7.60286006       4.20914000       1.80213000      -0.84359324      -0.10286870       0.72070750
Li       2.24732000       9.03872999       7.87947003       0.26539284      -0.31316146      -0.09287690
Li       6.83708001      10.47270002      11.08689999      -1.25076998       0.43870514      -0.12254187
Li       0.69293904       1.09613998      10.37770003       0.20606192       0.08409815       0.63775098
Li       7.37521005       6.13148995       8.18883997       1.47320894       1.38040268      -0.26441986
Li       0.35680896       9.39376994       4.85940003      -0.39428164      -0.22364862       0.88393878
Li       8.33391002       1.89488995      11.66029995      -0.80175483      -1.51572204       0.51204339
Li       9.11547995       4.31746004       5.57533000      -0.11406473      -0.14852285      -0.44824687
Li       6.22657999       2.50203995       4.76997995      -1.61427524      -0.95414663       0.97239831
Li       9.36854006      11.08800006       4.83930003      -0.54509154      -0.66206876       0.02095179
Li       7.15651003       2.69658997       8.10107005      -0.37603605       0.41271304      -0.23381635
Li       2.51859000       4.53905994       8.35930006       0.13079573       0.22815373      -1.23052568
Li       9.17153001       0.53526205       8.26555004       0.64178850      -0.24820893      -0.79531602
Li       5.48171003      10.25799996       7.02558996       1.15719084       0.66492110       0.55255303
Cl       0.85062703       7.19425000       6.02451995       2.05449553       0.03665717      -0.77245795
Cl       0.31338805       9.93555002       2.80774995       0.79143470      -0.74263050      -1.52219044
Cl      11.41320000      11.72330002       4.86855006       0.54764812       1.96415379       0.82427798
Cl       8.90533006       9.81529996       2.77522000       2.84600859       0.88171607      -0.67426858
Cl       0.41714096       3.18932994      10.62969996      -3.85145694       0.29830373       0.50575840
Cl       2.15835005       0.38946096       0.97321505      -0.16942302       0.05511903      -0.17092854
Cl      11.23759999       0.17888996       9.12860999      -0.90658193      -0.69631706      -0.54857647
Cl       2.83743996       3.63861998      10.13590005       3.89210268       0.34918123       0.17832122
Cl       0.29408501       6.68123997       0.37778605      -1.81154653      -1.48844502       1.57496767
Cl       1.80352005       2.61709001       6.47200002      -0.35482434       0.18956955       0.57423905
Cl       9.75260002       5.76970995       8.70253995       0.06183563       1.21702096       0.19691716
Cl       4.87104997       2.11179004       7.81426002       0.83930496      -0.58513760      -0.27915371
Cl       7.23917000       6.43533994       2.17665000       2.62973060      -1.70468582      -0.16675744
Cl       7.25905001       0.33803297       5.38973999      -0.06614332      -0.19572280       0.63073839
Cl       4.41001003       8.70346004       6.28009001       0.25060309      -0.73213761      -0.62897940
Cl       9.20632997       6.47573998       5.34112005       0.47797643      -0.40762801       0.63071558
Cl       4.30479004       2.68832002       3.73658995      -0.79135168      -0.06607574      -0.04105025
Cl       7.91659995       3.08269996       4.03756000       2.03368675       1.31667359      -1.41112624
Cl       2.67340999      10.96340000       6.39799003      -1.28652302      -0.71481310      -0.70723109
Cl       6.00271998       4.74533002       8.51634002      -0.56769506      -0.24597418       0.63056224
Cl      10.54219996       9.55995002       6.60298996      -0.21321699      -0.58577102       0.84109979
Cl       4.74177995      10.08540003      10.16910000      -0.10293120       0.27654785       0.04445264
Cl       8.01981005       1.48789006       9.70463001      -0.96478447      -0.59711223       0.03555283
Cl       3.35826002       8.73784999       2.69962995       0.13868324      -1.22053779      -0.67494170
Cl       8.73363004       9.94247996      11.60739997       1.40292185      -0.23490091      -0.37055439
Cl       6.59080999       9.52741995       3.81383997      -3.26276010      -0.77560386       1.13742374
Cl       2.47376997       0.54798101       9.35148004       0.36901329      -0.92695164      -0.03916757
Cl       5.70052996       3.11253006       0.53114397      -0.18774294       0.08036935      -0.24055791
Cl       9.39325998       2.98787996       7.24635995       0.03318615      -0.92554834      -0.14071109
Cl       8.95975002       3.62404996       0.30109796       1.63014403       1.87098564       0.30585422
Cl       0.61228001       3.04519001       2.30504006       0.11953869       0.30094745       0.44167680
Cl       1.53038001       8.74875995      10.86269997      -1.13111808      -0.95527084      -1.32572822
Cl       5.50559000      11.89999999       1.18538999       3.18539184      -3.17214857      -0.83249425
Cl       3.65157004       6.25015994      11.88419996       0.51503027       0.72351257       0.50323228
Cl       7.29707004       9.05170000       8.29925004      -0.18803868      -0.22815907      -0.18649823
Cl       3.27831004       6.84590005       8.49796997      -0.56420103      -0.35747628       0.11657729
72
Lattice="11.88783494 0.0 0.0 0.0 11.88783494 0.0 0.0 0.0 11.88783494" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.53607176 stress="-0.007962349640097807 -0.0017297519162501563 -0.0012970168850437891 -0.0017297519162501563 -0.017884922678307505 0.002266491392307801 -0.0012970168850437891 0.002266491392307801 -0.01006730014693771" free_energy=-254.53607176 pbc="T T T" config_type=melt 
Li       0.96873800       4.43032005      10.47580005       0.56172397       0.00580054      -0.69457520
Li       9.81095005       2.87341001       2.39936000       0.00514246      -0.05225624       0.03421259
Li       0.95744100       9.61402997      11.85190004       2.12747045       1.68793998      -0.10072820
Li       4.56825994       4.70559000       9.11244001      -0.23400256      -0.08854659       1.03901087
Li      10.49130000       8.80902002       5.68549995      -0.40994046       0.15599773       0.01835738
Li       9.78548999       5.37011997       7.46657996       0.18221487      -0.61531472       0.34763731
Li       9.67143002       9.63159995       9.09880003      -0.12654341      -0.40069809       0.03823463
Li       4.30325003       1.09561996       8.07937004       0.32588707      -0.02866787      -0.33852815
Li       0.47737301       4.24116997       5.61732001       0.72766374      -0.07292947       0.59522951
Li       3.53722006       7.01872005      11.35520002       1.31314515       1.57725124       2.12710228
Li       2.20732998       1.24232999      11.17999996       0.29541193      -0.14549341       0.09966925
Li       4.11113001       9.57707996       8.69363004       0.74793684       0.24901654      -0.61657670
Li       0.46087400       0.51513698       5.30093004      -1.25277806       1.56560973       1.17972649
Li       6.42157995       0.10099702      10.74510004       1.31346186      -0.59512254       0.17140777
Li       9.94770996       0.26220498       0.21919004      -1.05240131      -0.33668811       0.16793133
Li       3.27910996       6.97776004       4.80854994       0.63483639       1.27383542      -0.35905691
Li       5.12073994      10.10389995       4.77794994       0.15437339      -0.79988902      -0.56865299
Li       6.99533002       7.11840002       6.98327005      -0.58864406      -0.36679327      -0.99065903
Li       7.16763004       3.57713001       6.40767998       0.52516189       0.74485446       0.24404840
Li       4.55025998      10.91669999       1.33154997       0.23125947      -0.42493363      -0.16029437
Li       8.15859996      10.43589995       3.01069001       1.18625730      -0.17235133      -0.39687692
Li       7.21657000       8.02996003      11.05620005       0.83031032      -0.20004058      -0.09248957
Li       1.38029996       7.36705001       8.70006005      -0.12579913       0.38045155      -0.34482784
Li      10.27659999       7.44665999       1.44311005       0.23055098      -0.35005224       0.47481558
Li       7.49377006      11.78860005       6.47780002       0.24266590       0.27244537       0.16530305
Li       6.35590002       1.72550997       2.72551001      -0.31438550       0.10042135      -0.32065540
Li       6.30474999       7.37486995       2.84803994      -0.51996864       0.09560221       0.23566797
Li       8.77317998       5.89281000       3.96122002       0.77651014      -2.69950345      -1.78436937
Li       0.94905698       5.30437002       2.66537005      -0.56245209       0.15614839       0.82009175
Li       3.16472996       0.92222602       3.91402995       1.22121234       0.95572116      -0.86795333
Li      10.71160001       1.98622006       8.24582005      -0.36063422       0.14050709      -0.06265309
Li       0.64608505      11.15370003       8.25395002      -0.31707491      -2.30538088       0.37197717
Li       1.48541006       9.10547005       4.44179002       0.52360919       0.53229067       0.31399661
Li       4.10806997       3.80846003       5.57467002      -0.16460482       0.29500913      -0.32084615
Li       3.79473006       3.98862005       0.88542996       0.35919859      -0.02912218       0.14196520
Li       7.67316997       4.11055999       0.01493504      -1.38964772      -0.57509851      -0.63429161
Cl       7.95334995      10.12469997       5.07796002       0.94769152      -0.53770853       1.28311758
Cl       1.57676997       9.42130998       6.99782004       0.04520918      -0.52239383      -0.13142926
Cl       0.58077697       7.69356997       3.14415997      -1.10233345       0.45717794      -0.49771664
Cl       7.15157005       7.48872997       9.00576001       0.56004846       0.10125998       0.11643392
Cl       1.96513995       2.31965005       4.92598000      -0.10408901       1.47313396       0.67281412
Cl       7.14404006       1.72363003       0.12484901       0.52213291       0.80011133       0.41688867
Cl       5.58987005       2.27793005       6.16748996      -0.75975674      -2.52500504       0.49740192
Cl       3.90588999       1.23001003       1.67609997      -0.51094923       0.17031876       0.24787171
Cl       8.39524003       5.52868003       5.76039997      -0.90751784      -0.70384380       2.60890789
Cl       8.49125998      10.37359997      10.79160002      -0.17653505       0.40499363       0.41002337
Cl       8.57578997       2.60250004       8.02088997       0.16614111       0.13501020       0.01647584
Cl       5.06925004       7.54465998       5.52718002       1.95922706       0.54328692       1.50341858
Cl       2.06194996       5.51374000       4.51999997      -0.29232492      -1.89714971       0.68482527
Cl      11.00259994       3.83139999       4.06582001      -0.84628067       0.02879292      -0.73935115
Cl       8.84081998       7.65724003       3.36479997      -0.18960018       2.99221988      -1.81507595
Cl       4.11390998       8.49409000       3.03625005      -0.52100791       0.59469585      -1.22073452
Cl       5.49968002       8.94289000      11.56249997      -1.31899767       0.91919542       0.96410844
Cl      10.18510004      11.18120004       7.62760996      -0.19842731      -0.28211950      -0.40388423
Cl       9.19085003       4.84303001       1.15116004       1.02291100       0.40805060       0.74955757
Cl       5.38188001      11.10210005       6.66632004      -0.98524910      -0.20962734       1.46615369
Cl       1.88787996      11.39340003       4.48684004       0.54865013      -3.64484081      -1.13440533
Cl      10.79170000       7.25059001       7.22543999       0.30181217       0.94888569       0.36103466
Cl       4.44339001       0.40196800      10.36160003      -1.21943254      -0.56746310      -1.10049626
Cl      11.31819997       8.52360000      11.75921499      -2.30320091      -1.71575476      -0.61370902
Cl       5.48421002       4.97014996       7.29357000      -0.01711553       0.51878966      -0.06948661
Cl       1.15874995       5.16813995       0.61953202       0.20204713      -0.09420059      -0.28171424
Cl       0.27357700       4.41072996       8.01142000      -0.40274597      -0.08994626       0.41136513
Cl       0.04643971       0.02978164      11.40639997       1.20655125       0.22439179      -0.29420325
Cl       6.27986994      11.17670002       2.82414005      -1.66634716       0.65119647      -0.39683002
Cl       5.58556998       3.91224000       3.73684997       0.26432987       0.35084218      -1.32706511
Cl       9.37353003       0.48900395       2.49452997       0.54345740       0.42900974      -0.03708698
Cl       2.93542005       6.11329998       9.79944001      -1.20551965      -1.15182339      -2.70814105
Cl       5.70968005       5.54116999      11.85960002      -0.07520002      -0.21649259       0.28928803
Cl       2.64096004       9.13744999      10.10999995      -1.32671187       0.40951312       0.91573111
Cl       0.77545798       1.15191005       7.89996002       1.34591460       2.00484082      -0.41691896
Cl       3.30038003       3.23774005      10.72280001      -0.60390842      -0.33736803      -0.35951924
72
Lattice="11.81596852 0.0 0.0 0.0 11.81596852 0.0 0.0 0.0 11.81596852" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.58544632 stress="-0.017048133898222465 -0.0003528416796630865 0.00025050559644266657 -0.0003528416796630865 -0.023105292019250517 -0.006456499911248736 0.00025050559644266657 -0.006456499911248736 -0.00846985014250434" free_energy=-253.58544632 pbc="T T T" config_type=melt 
Li       4.44448995       8.78914997      10.84109995       0.93564849       2.48608088      -0.65744473
Li       2.65120002       2.95904003       0.27834499      -1.36734129       1.02942873       1.17072210
Li      10.99979999       3.97475994       8.67877003       0.28117485      -0.55045358      -1.28862193
Li       3.12275996       2.47640994       8.62899999       0.27580646       0.16672099      -0.24301482
Li       1.89859006       7.83322004       4.83649002       0.13870447       0.33178282       0.24250277
Li       2.93436002      11.07799996       2.30738003      -0.34480624      -0.27298653      -0.04186568
Li      10.67649997       8.04340000      10.46310003       0.22123536      -0.28774288      -0.01415868
Li       7.87197003       4.62550999       5.77033000       0.06232564       0.20210796       0.60255136
Li       0.09258828       6.02641004       6.90159000       0.66418672       0.87995532       0.14756672
Li       0.18678801       2.77478997       5.46781001       0.58676640      -1.02896949      -0.50191195
Li       4.65104997       9.78110005       6.78748000      -0.27498371      -0.08392729       0.26394855
Li       7.51500005       9.67179005       0.25402903       0.55427211      -0.34401971       0.01131873
Li       2.17691000       6.24826005       9.58420005      -0.01988161       1.60859991       0.95824391
Li      11.12979999       9.18348003       6.88270997       0.17769558      -0.53820899      -1.15410781
Li       9.20739000       1.98622000       4.68141997       0.21251055       0.03809135       0.94170529
Li       2.63621005      11.49890000      11.11699998       0.63744714      -0.16280943      -0.58869027
Li       8.91451999      11.56429997       8.33151999      -0.03352101       0.16338165       0.28358929
Li       8.35730999       3.98698002       1.98721998       0.00335087       0.41375488      -0.35650258
Li       0.89176804      11.18160001       8.52770004       2.33764421       0.20785084      -0.87013662
Li      11.01359998       0.95348095       1.14700005       0.17624855       0.05392372      -0.22571015
Li       7.27888002      11.50750002       3.03039005       0.20188362      -0.61501949       4.14142224
Li      11.44779996       7.77066996       1.81685002       0.09940490      -0.33413167       0.52376964
Li       8.82906998       8.12452005       4.06793004       0.82849508      -0.25539105       0.10151195
Li       6.15253003       1.96489997       7.10959004       0.19766267      -0.56259882      -0.14073365
Li       4.53231001       5.73199994       6.47474995      -0.86396753      -0.59170767      -0.56203707
Li       5.37691000       5.47875999      11.36829999       0.19259370       0.00051889       0.08532756
Li       7.66238996       7.61634999       8.13126000      -0.04357733      -0.10267571      -0.04704085
Li       5.99675999       1.12636996      10.74910000      -0.25816814      -0.41062726       0.21146777
Li      11.50740006       4.82508005       0.84049796      -0.46366348      -0.59358857       0.78519683
Li       5.11619999       2.40739996       1.94796001       1.07824018       0.69602193      -0.96099815
Li       8.14586005       5.05880995      10.11109997       0.82142416      -3.06066932      -1.17335119
Li       5.72964998       7.57912000       4.09874998       0.05625393       0.37179297       0.24539185
Li       2.75647002       6.97072003       1.54882995       0.36159481       0.15493733       0.14463947
Li      11.54620003      11.40600002       3.92440998       1.10439994      -2.04625395       0.49084821
Li       2.54417003       4.32476996       3.63958995       0.07740322       0.32635528       0.14046080
Li       3.16546996       1.04316994       5.38793997      -2.00429947       1.39179822      -2.05034875
Cl       7.55369995       6.73548997      10.66450002      -1.86010174       3.35689645       1.39166448
Cl      10.00219998       8.74122003       0.55350900      -0.72883109       1.03819840      -0.25845544
Cl      10.26769995       4.52483995      10.46749994      -0.42795801      -0.81342028       1.32920642
Cl       7.13354999      11.56429997       1.25199001      -0.39154779       1.07699460      -3.65712111
Cl       2.10405994       3.58797000       5.95222998       1.41997978      -0.24217735      -0.91348529
Cl       5.72120003       4.02047002       7.24304998      -0.14963439      -0.31272394       0.11603110
Cl       9.27364001       1.74881001       7.06078004      -0.53894034      -0.57361545      -0.10604338
Cl      10.90279999       4.39022996       6.14426995      -1.18270205       0.18380335      -0.08839125
Cl       7.13747998      11.32069995      10.06599995       1.08242749      -1.10047042      -1.48938587
Cl       4.02552004       6.29455005       3.87889002       0.61139174      -2.52253945       0.04296012
Cl       4.43803997       4.34713003       1.35304006      -0.40675723       0.69582967      -0.10537266
Cl       4.03349996       1.79218005      11.36419997       0.67566106      -1.47749853      -1.22697516
Cl      11.04670005       9.09546005       4.17523995       0.61827095       0.46402943      -0.41759731
Cl       1.46026997       8.10192000       7.43698004      -0.49992636      -0.84347160      -0.27492349
Cl       4.53394995       0.39013102       6.48527999       2.73222748      -0.75700413       1.95722879
Cl       3.12435996       9.52383002       0.77584902      -0.04818648       0.97392624       0.82150662
Cl       6.99578997       2.86478003      11.21149996       1.10744951       1.77466571       0.40934810
Cl       2.02389001       4.44285001       8.77374005      -0.38915660      -0.65004248       0.21999596
Cl       7.62132994       3.13943997       3.89717003      -0.87954137       0.03073429       0.07116680
Cl       8.53692004       5.64443995       7.88940000       0.52211973      -1.00717971      -0.17772037
Cl       1.25432000       0.31538297       0.80541304      -0.83545273       0.11218243       0.57830303
Cl       3.98389002      10.25709996       9.24683997      -0.18925470      -0.17735013      -0.28137424
Cl      11.02709996      10.33039997       8.63085002      -3.03769099      -0.81392620       1.16420865
Cl       9.50094001       5.84347002       2.61940998       0.12726200      -0.25649119      -0.18930850
Cl       1.13620994       0.20568505       5.36501002      -0.07099377       0.10110792       0.57441047
Cl       7.20594004       8.74242998       2.81681004      -0.46344123       0.19344693       0.00547668
Cl       3.92613995       8.80896003       4.85963998      -0.35135710       2.61209878       0.40354247
Cl       4.12661995       0.93982004       2.80398995      -0.42127036      -0.73754010       1.67612924
Cl       5.94444999       7.20683995       6.70966003       0.38174538       1.25683564       0.13636487
Cl       1.28955002       6.64973996       3.08807005      -1.46745860      -0.16074578      -0.27170306
Cl       9.12664995       8.28112996       6.36746001      -0.35200456       0.44762998       0.55061217
Cl       3.61726002       7.16358003      11.33669996      -0.20802500      -4.22940405      -0.97237485
Cl       0.92393796       3.23466002       2.46512995      -0.25858800       0.18525506      -0.73682292
Cl      10.27490001       0.86499306       3.21836001      -1.74240381       1.11809232      -0.93619611
Cl       1.62987000       1.06906003       9.27023004      -0.20096566       0.78835786       0.41048211
Cl       0.39622003       6.39038004      11.49419996       1.21349105       1.58419349      -0.37089720
72
Lattice="11.80621142 0.0 0.0 0.0 11.80621142 0.0 0.0 0.0 11.80621142" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.94616001 stress="-0.015006857538586797 0.0074910958156455465 0.001871365835124287 0.0074910958156455465 -0.006451701526413885 -0.0016412138436316896 0.001871365835124287 -0.0016412138436316896 -0.01869563515727966" free_energy=-253.94616001 pbc="T T T" config_type=melt 
Li       7.78056995       7.13288001      10.78719996       0.13253837      -0.34897788       0.36944809
Li       5.22293004       7.27432999       7.86676001       0.07944471       0.62659414       0.23424528
Li       7.88554995       3.32395996       9.81448006      -0.29029414      -0.64725753      -0.39772333
Li       3.16455001       9.61205997       8.48001997      -0.27920244       0.49502164       1.45926027
Li       9.32395004       9.11674005       8.96886997       0.36443100       0.18314647      -1.33004257
Li      10.73080003       1.65849998       2.27399001      -0.93259614       1.60531186       0.72825396
Li       8.16076998      10.93829998       4.02547997      -0.22486375      -0.27709565       0.18094902
Li       9.71325998       4.67184005       1.71297998      -1.85255574       1.82530108       1.11298967
Li       5.23464003       4.31279002       0.02988860      -0.28994338       0.85714888       1.55166789
Li      11.55169996       8.78036999       6.57394999      -0.20214026      -0.23386522      -0.63050155
Li      10.38190004      10.16529998       0.73189597      -3.27428112       1.50460070       0.24268405
Li      11.54129999       5.55584005       4.50216000      -1.08005897       0.13287340      -0.46163866
Li       2.52226000       3.68413004       5.74713999       0.97486231      -0.61443693       0.23347045
Li      11.04039998       4.36590003       7.88628996       0.40693248      -0.21054844       0.27849624
Li       0.84136895       0.32954997       8.24816003      -0.62414434       0.38435846      -0.79336835
Li       3.10656003       2.15356996       9.66345996       1.13117368       0.71632752      -0.44099614
Li      10.04619998       1.83143005      11.39969995       1.88191636       0.53555204      -0.28031993
Li       8.20192997       5.50296995       5.98917996      -0.28146608       0.15551788       0.09039285
Li       7.11930995       2.30495995       3.68239005      -0.34672088       0.43462085       0.05972842
Li      11.56679999       8.53829000       3.06765998      -1.30484366       0.26252776      -2.07089960
Li       1.39134006      11.76834264       4.06944996      -0.24708239       0.57628702      -0.28810444
Li       0.64135496       5.40511995       0.54334098       0.24744971      -0.32704047      -0.95483170
Li       5.60948004       1.76614996       6.93023996      -0.06836156       0.56728488       0.06054018
Li       1.69295995      11.55959997       0.08780315       0.13024097      -0.71690810       1.43500671
Li       0.06721666       8.41783996      10.63650004      -0.01632172      -1.29817283      -0.43617214
Li       2.70281995       7.06148997       5.46421004       0.54880358       0.17292240       0.21967895
Li       4.56689995       9.73650003       4.55980997      -0.29410416      -0.35139752      -0.03090339
Li       4.10776997       8.25955998       0.97920599       0.16904618      -0.20211424      -0.08650382
Li       2.66282995       2.87043002       2.50138001       1.43145524      -0.07665483      -1.49700086
Li       6.57516001       9.88673998      11.03439995       0.81675163      -0.44811046      -0.39515905
Li       2.75893995       5.27014001       9.25191999      -0.28988992       0.28696278       0.93133986
Li       9.66826001       1.08852998       5.94309004      -0.76039098       0.85965340       1.16790690
Li       4.96405996       5.34403001       3.70692996       0.12807245      -0.45562988       0.00479874
Li       7.01985997       7.93189004       2.81566997       0.24470207       0.08381679      -0.22511851
Li       6.53046996      10.62359999       7.27806996      -1.06073067      -0.48575514       0.55352051
Li       5.31657006       0.30711805       1.61696998      -0.38167705      -0.04934406      -0.14137775
Cl       4.53082005       0.35965404       8.43455000       0.04786075      -0.05508769      -0.13250930
Cl      11.49269996       5.94407999       2.33417005       0.15044091       1.70583684       1.11722025
Cl       1.48933999       2.80815001       4.05402998      -2.13288170      -1.19483064       0.31878196
Cl       9.34503003       2.48158005       4.50840006      -0.32039033       0.98406784      -1.56934014
Cl       1.36339995       5.37780002       5.62407995       0.43086122       0.28660850       1.07524858
Cl       5.18257995       3.60030004      10.01139999       0.45139249      -0.79467334      -1.73722191
Cl       7.21006996       0.29712999       6.09290000       0.59775352       0.81003293      -1.24010246
Cl       5.54075006       3.20863996       1.94457003       0.57359814      -0.28890400      -0.97161019
Cl       8.77082998       9.90590996       2.16869998       0.28530710      -0.30224085       0.57483940
Cl       2.53538001       4.27742003      11.70249999       0.13515104      -0.07472288       0.21804636
Cl      11.72869998       9.23712999       8.68130005       0.09772687       0.95184629      -0.49975434
Cl       7.02286005       9.11932998       8.68887999      -0.34676410      -0.66609779      -0.12542827
Cl      10.17579995       1.96465995       9.29812005      -0.17368082       0.52796438      -1.13483502
Cl       3.39097001       7.78307995       9.60590999      -0.18640526       0.28638498       1.01846948
Cl       3.03295999      11.70710005       2.55393996       0.02074140       0.38159338      -0.17473605
Cl       4.76470004      10.22669995       0.15371498      -1.06065321       1.06313375      -0.46048261
Cl       8.98636004       8.91875000      10.94390002       0.58208740       0.32285421       1.43892738
Cl       8.24525995       1.50080996       0.20238904      -2.13245311      -0.45822454       0.87439055
Cl       3.79703001       5.75341003       7.48293996       0.51580644      -0.85148362      -1.56668381
Cl       8.27158001       6.21423999       1.61377994       0.35939583      -0.39043185       0.54019558
Cl       7.18748999       3.85059999       7.29355003       0.31103875      -0.03343594       0.13861747
Cl       0.84359501       8.06229000       4.60356001       0.67660581       1.15992873       1.57454867
Cl      11.65960000       6.15928999      10.23640005      -0.05031254      -0.29766342      -0.02643326
Cl       5.82758999      10.38769996       2.99719000       1.17180116       0.30115824       0.80211058
Cl       3.90800002       9.29243997       6.65522005       0.51203330      -0.29894254      -1.78490423
Cl      11.69860005      11.76570006       2.18733998       0.30492534      -0.57248220       0.32481049
Cl       1.42163999       2.61745998       7.35259006      -0.24043320      -0.47434096       0.89465165
Cl       1.59738997       0.82909096      10.12910001      -0.65157005      -0.49764724       0.80848678
Cl       7.31651004       7.58830001       5.13485003      -0.15449505      -0.22152355       0.08334457
Cl      10.99039997       3.48167996       1.05099000       1.85878331      -3.24448626      -1.94644864
Cl       4.57826001       3.15526998       4.55625996       0.26589281       0.07769776       1.71803591
Cl      10.18750002       6.18731994       6.80661996      -0.02219454       0.08286136      -0.11483496
Cl       0.26037395       9.43793004       0.59826796       4.04014312      -1.80735995       0.07895621
Cl       6.05962998       7.23974995       0.24598855      -1.54557024       0.13335673      -0.51172713
Cl      10.54600000      11.14680004       5.91722004       1.27671603      -1.95906815      -0.09738097
Cl       4.17666995       7.43724000       3.33701999      -0.23440998      -0.11419932       0.04103514
72
Lattice="11.76186121 0.0 0.0 0.0 11.76186121 0.0 0.0 0.0 11.76186121" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.53831932 stress="-0.005715490652602088 0.0005942932618281283 0.001719246957070565 0.0005942932618281283 -0.015127640289681603 0.003330846949530023 0.001719246957070565 0.003330846949530023 -0.019923776340002378" free_energy=-253.53831932 pbc="T T T" config_type=melt 
Li       3.70294995       6.58947994       4.20641995      -0.41814297      -0.14076173       0.45541626
Li       4.25759004       7.46720002       7.82028003       0.88496377       0.32753253      -1.17736426
Li       1.66369998       8.91274005       1.82438006      -0.47787689      -0.43159147      -0.66206073
Li      10.75219999      11.15030006       7.72678006      -0.76622297       0.05647241      -0.78118840
Li       7.41759001       5.29829999       9.69980005       0.31265075      -2.74421595       1.69061041
Li       8.49577995       5.46491005       5.26912998      -0.48255431      -0.07871649       0.48767779
Li      10.52340003       2.76250999       5.33291997       0.46883708       0.67797907       0.91712296
Li       0.36553395       1.04878999      10.94520002       0.43653059       1.06722149       0.66712894
Li       9.91885001      11.25809999       3.63789004       0.48464588      -1.85439560      -0.67626145
Li      11.18650001       4.75748996       0.10463881       0.07090587       4.05070743      -3.80216586
Li       4.52465004      11.26939996       6.22677002       0.13730248       0.07918601       0.38583762
Li       5.30028998       3.41746006       3.96179005      -0.23576346      -1.03748370       1.22355089
Li       1.57772995       0.75790705       3.28230004       0.29299367      -0.02366387       0.36042282
Li       7.28909003       8.93208996       5.82270998      -2.79001101       1.98201154       0.61593706
Li       7.46938996       8.59112995       9.72660004      -0.03018328       1.14122008       0.33976333
Li       1.55578996       3.79857000       1.97033005       0.56234609      -0.05993246       0.01464040
Li       7.38256002       1.74543997       5.70892997      -0.25108941      -0.15529426       0.24856934
Li       8.37212998      10.14429996       0.83579798       1.53106556      -0.60208946      -1.36712857
Li       5.68046003       0.76861505       1.53684995      -0.38650220      -1.24419024      -0.87466798
Li       0.47730997       6.69317004       6.74688999       0.31007428      -0.87121098       0.46261983
Li      10.60779997       7.33552998       3.36041997      -1.14118288       0.55671009      -0.88539897
Li       4.65085999       9.67067004       3.18469000       0.00686394      -0.11648275      -0.00669773
Li       4.16161996       3.92140006       7.03244999       0.84947948       1.88205445      -0.56338009
Li       1.47364994       1.44889005       7.41980995      -0.99604570      -0.58653986       0.12897622
Li       2.16236996       5.52853995      10.16540003      -1.27554818      -0.49294304      -0.11576493
Li       4.96294004       4.14657995       1.00639001      -0.56145090      -0.51841601       0.65813357
Li       7.25574998       0.25505596      10.27159999      -0.20125790       0.34762747      -0.15409645
Li       5.04083002       7.85014999      11.56050003       0.57953748      -0.32714261      -0.77956692
Li       1.42789995       9.19151004       5.54688998       0.20302849       0.58855351      -0.31603805
Li       9.29814002       7.11523996       7.57089999      -0.83104282      -1.19238885       0.12294828
Li       8.02142997       5.44425998       0.82558597      -0.17689839       0.50378972       0.09461308
Li       8.42558999       2.20406999       2.25348004       0.96179590      -0.41929870      -0.15668227
Li      11.57768517       8.20551004       9.69979005       1.95124446      -0.65747585       2.56505084
Li      10.27390002       3.09190997       8.65084998       0.36801605      -0.18880402      -0.51912331
Li       3.58266998       2.79692002      10.39790003      -0.06895525      -0.26041635      -0.36531461
Li       2.96699994      10.60520001       9.70130004       0.33996513       0.36404105       0.01163089
Cl       7.04037995       6.83634000       8.69771006      -0.61833956       2.13040238      -2.55947082
Cl       8.85690003       0.82620594       0.38213875       0.26656426      -0.28132590      -0.79628634
Cl       4.71590002       8.25069005       5.16270996       0.88104346       0.89453724      -0.00056770
Cl       2.90562996       7.07826996       9.25366995      -0.33369326       2.53829044       1.61875024
Cl      10.41890001       8.67574996       8.30845996      -0.85567182       1.30344975      -1.88261693
Cl       3.36311002       2.22030995       7.44201999       0.07391125      -1.88493379       0.76416044
Cl       8.29538995       7.96297999      11.75416707      -0.09700081      -0.06249542      -0.00592303
Cl       7.15832001      10.70409998       2.22658996      -2.07362790       0.21595255       2.14190476
Cl       5.37901999       5.55212001      11.32860000       1.37132942       2.12138726      -0.70349175
Cl       2.96017995      10.05809998       7.29315999      -0.31280002      -0.13489782       0.34328989
Cl      11.16039997       9.64304001       2.37892006      -1.36343223      -0.14438861      -0.21916847
Cl       9.22787995       1.75044006       7.00399005       0.31655260      -0.17074524       1.93017663
Cl       0.81023498       3.47721996       9.70246999      -1.13404338      -0.99101443      -1.85823413
Cl       7.32304006      10.94660003       7.69068996       0.26737431      -0.59497876      -0.55997102
Cl       2.04213998      10.21369999       3.45364001       1.50765544       0.85194390       0.96847706
Cl       9.54825000       1.32550001       4.27325002      -1.44373547       1.09080263      -2.20250939
Cl       6.27672006       4.37903996       6.48611000       0.66095048      -0.45712356      -0.68234088
Cl       9.57597000       4.31000995      10.21629995      -1.51486206       1.02781215       0.91555364
Cl       0.19926098       7.18015003      11.58182922       0.11267120      -0.35409870       0.30576405
Cl       5.48180996       0.78554695       4.74028001       0.01260489      -0.23379000       0.15792023
Cl       4.81801003       5.17853001       3.11709999       0.00508173       1.26227724      -0.91420851
Cl       0.13543877      11.71159995       5.71700002       0.45309320      -0.11571126       0.36731146
Cl       2.50238996       4.26882003      11.64886924       1.23856717      -0.14470825       3.26692102
Cl      10.15829998       4.62914994       6.75668997       0.48399813       1.28367556      -0.24073403
Cl       8.80743999       5.81839996       3.15017999       0.09709604      -0.47696537      -1.09665575
Cl       2.71144999       2.76729001       3.75757003      -0.80288746      -0.40565187      -0.33234325
Cl       5.65059996       2.70555000      11.19879998       0.77248248      -1.50487474      -1.10729783
Cl       3.04858998       5.84915006       6.79198003      -0.64153891      -0.53410573      -1.80142128
Cl       8.81113004       7.86647004       5.61894997       2.18743994      -1.39079435      -0.89984575
Cl       0.40266003       6.97635002       4.62945999       1.35687482       0.21140780       0.47619914
Cl       2.92162998       0.97826305      11.48239998      -0.82973844      -1.24513814       0.21988757
Cl       5.60002995      10.38570004      10.18980001      -0.36425705      -0.68998816       0.73919306
Cl      11.26929999       3.40257001       1.22680000      -0.09723478      -4.20663658       3.92625726
Cl       6.34300003       2.48701003       2.31107999       0.73778478       1.56688143       0.71880774
Cl       3.82997005       8.37794998       1.37764998      -0.47008159       0.27602766       0.78496868
Cl       0.36729705      11.51333720       9.29939995       0.48835072      -0.37213388      -0.03020595
72
Lattice="11.72712071 0.0 0.0 0.0 11.72712071 0.0 0.0 0.0 11.72712071" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.10850953 stress="-0.00464646841887059 0.002955486660163354 0.000889566606762959 0.002955486660163354 -0.02245649067830912 -0.0036107498729518353 0.000889566606762959 -0.0036107498729518353 -0.002807972124667268" free_energy=-254.10850953 pbc="T T T" config_type=melt 
Li       5.46352001       6.81104006       8.53213000       0.05992608      -0.34361315      -0.36129616
Li      11.08830000       7.28157999       0.62558501       0.42019874      -0.14384713       0.27505949
Li       3.40327997       1.05300995       2.85408003      -0.00459024      -0.38081116      -0.22902256
Li       9.34168996       1.18959995       9.34997002       0.54024878      -1.31192032       1.10696310
Li       4.10371005       1.50868001      11.42750005       0.43251984      -0.57986389      -1.30351974
Li       2.58035003       5.63659999       5.80034003      -0.22630219       1.65441122      -0.21829113
Li       7.15356005       0.33373603       1.15222995      -0.07105490      -0.44848935       1.50162788
Li       0.10077924       7.94201999       6.94596996      -0.08072619      -1.67661903      -0.25378384
Li       6.02764998       3.49103003       2.54656994       0.41003395       1.18377613      -0.72792643
Li       8.77142999       9.55251006       3.43454002       0.13171440       0.15562032       0.19170383
Li       7.84768997       4.85711998       7.27856002      -0.01310210      -0.35150141       0.52502288
Li       9.18878004       6.80988998       9.78357995      -0.48717694       4.92324426      -0.90766857
Li      10.56379995      11.00109994       5.63248999      -0.00538452      -0.17110435       0.15906727
Li       3.18262997       9.95051000       6.85540997      -0.09909583      -0.15811164       0.09686087
Li       7.92634001       1.59078005       5.09080994      -0.03006091       0.19577334      -0.01990758
Li      10.23889996       2.20601999       2.40808004      -0.17068917       0.94576500       0.16010329
Li       5.08731995      11.28670001       4.83975997       0.89274500       0.01681728       0.63697053
Li       7.73865999       3.90117001      10.48140004      -0.03574941      -0.06181577      -0.65977032
Li       8.85090996       5.36878997       2.20844000       0.18979206      -0.21730475       0.53494160
Li       0.64737600       3.33882994       0.04437554       0.45251285      -0.75419293       0.08516468
Li       3.49313997       9.31800001      10.96500000      -0.80529909       0.38651977      -0.11411835
Li       0.93028704       1.08617002       8.55746996       0.56464067      -0.34011862      -0.06071899
Li      11.31690005       3.44613005       6.74798004      -0.12796124       0.35013723      -0.63991301
Li      11.50309999      11.06929995       1.43170002      -0.69940195       1.55809676      -0.51742604
Li       9.63026004       6.56086996       4.92142998      -0.05918471      -0.57726909       0.16661975
Li       1.93089001       6.37439995       9.71144995      -0.22755000       0.08796213      -0.25712162
Li       3.37559998       5.71360003       1.28422995      -0.86291306      -0.12881200      -0.13516491
Li       4.09167005       3.15597001       7.59018996      -0.19975569       0.79720840       0.47363703
Li       5.68623996       6.63813996       4.27591003      -0.24816128      -0.08550120       0.32614420
Li       8.22187002       9.11854995       6.72321999      -0.39542732      -0.75788035      -0.20086809
Li       6.14322005       8.34260003       1.06228000      -1.48748989      -2.30671097      -0.42042738
Li       6.44023002       0.48589906       8.27597005       1.37382736      -0.39280503       0.64565070
Li       2.52882998       8.92614003       3.19815000       0.23402701      -0.48145858       0.31736511
Li      11.04909999       9.91269004       9.36220000       0.14899875       0.07507972       0.11719299
Li       1.85987995       3.62866995       3.68019998      -0.77630373      -0.09186742      -0.18902102
Li       7.45575998       9.75855005      10.50109996       0.44975812       1.45376268       0.49022378
Cl       7.66447001      10.88729996       5.61508999       0.75954444       1.18994916      -0.90460040
Cl       0.31841396       9.83850005       7.27096002       0.28452000       2.03495068      -0.17642125
Cl       7.44537995       9.71570994       1.40634000       1.34113709       1.46213915       0.30489444
Cl       6.00432005       4.39562001       8.51868005      -0.40895985       0.74958648       0.77500858
Cl      11.55400003       5.79898004       7.10232004      -0.06124122      -0.48584079      -0.25505844
Cl       7.69383999       4.59414000       5.18758003       1.17292983      -4.52217731      -3.31971192
Cl       5.63729999       1.77954002       3.58265004      -0.12203856      -1.18220616       0.63944092
Cl      10.46839994      11.47610005      11.01510002       0.23688236       0.43373652      -0.06063719
Cl       2.04296000      10.67780000       9.20816004       1.78034856       0.54327749       1.38604356
Cl       7.50829994       7.78537005      10.21179999      -2.44656234      -1.46705117       0.84531601
Cl       7.04514997       6.67658006       6.17682998      -0.41584456       4.63513035       2.11491927
Cl       0.73384803       5.28934998       0.82087101       0.36411717       0.63651994       0.24568656
Cl       4.19755997      11.46040001       1.06510002       0.51997031      -1.46802300      -0.63877823
Cl       3.09669000      10.72170000       4.29225002      -0.56201091       0.66875732       0.26091188
Cl       3.39643004       6.90993006       7.32379997      -0.32802964       0.22137928       1.01312280
Cl       3.76495000       6.89497997      11.01740006       0.06980883       0.82146999      -0.26182020
Cl       7.93844006       3.94693006       0.97666698      -0.16753655      -0.49226464       0.36922793
Cl      10.76280004       3.69520002       4.05420999       0.23552440       0.69191398       0.32492255
Cl       3.24492995       2.61491994       1.11690997      -0.18427071       2.33649794       1.31310543
Cl       7.26377001       1.28011995      11.10129998      -0.43994050       0.01354616      -1.61772168
Cl       2.58071006       3.65659997       5.90720002      -0.29304798      -1.75442169      -0.57146448
Cl       0.52800798       1.70898005       2.10290001       0.62766035      -0.60155584      -0.56010556
Cl       5.39448995       6.00379995       1.94744003       1.94737283       0.08853292       0.04757893
Cl      11.65719998       7.90741995      10.29729996       0.06897827       0.02041891      -0.26268867
Cl       8.65830995       9.97194999       8.68935996       0.44787316       1.18988260      -0.37688601
Cl       2.62969999       2.89269005       9.43370998      -0.72712516      -0.29964079       0.16131449
Cl       0.94881003       9.54412000       1.95574001       0.08828832      -1.22681572      -0.29677015
Cl       9.89758000       7.18811999       2.63355997      -0.33637780       0.38696441      -0.27785485
Cl       8.40355995       2.44300000       8.13683995      -0.51644149       0.74145404      -0.85943668
Cl       9.81105003       5.21606005       9.95319000       1.65611964      -6.18525231       0.68314728
Cl       3.19520004       6.71803003       3.69951994      -0.87772277       0.04908863       0.58264198
Cl       9.15894003       0.52922197       2.99287003      -0.61476768      -1.02325610       0.11154032
Cl       5.16621005       1.44777005       7.10986996      -0.66553319      -0.67855686      -1.25462039
Cl       5.32169995       9.26715004       6.24679996      -0.90426855       0.41596833       0.35604293
Cl      10.36490001       8.70536995       5.35001004      -1.43714773      -0.35086591      -1.04494816
Cl      10.92960004       1.19042999       6.64740005       0.72022841       0.38420792       0.61030514
72
Lattice="11.69984221 0.0 0.0 0.0 11.69984221 0.0 0.0 0.0 11.69984221" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.15055807 stress="-0.010065448553323442 -0.004973131024731528 0.0002089772286358905 -0.004973131024731528 -0.016257768333302596 0.0011061429788652676 0.0002089772286358905 0.0011061429788652676 -0.016991261061097617" free_energy=-253.15055807 pbc="T T T" config_type=melt 
Li       7.24379000       7.27150002       5.42229000       0.49144544       0.17604203      -1.44238076
Li       2.10600003       8.09938004       9.73832002      -0.81299609       0.56910813      -0.12904847
Li       3.57040996       9.72858002       3.84574001       0.56926148      -0.49964303      -0.42638570
Li       9.62396003       8.63669002      10.69940005       0.24090778      -0.32492029      -0.07636559
Li       3.78575000       7.64044004       7.02362003       0.11144739       0.18513544      -0.11737363
Li      10.02749999       7.61472004       7.20487000       0.00037956      -0.22503571       0.71083362
Li      10.27280005       7.03468995       2.56203004       1.71382899       1.73348179      -0.71572004
Li       9.99428005       0.42876997       5.98202005       0.71891475       2.25982427      -0.94390912
Li       0.22817699       9.93039001       1.23631999       0.07267070       3.11398881       0.73150181
Li       5.19314999       3.25797995       7.69944000       0.19776902       0.11451381      -0.08232797
Li       1.43250996       0.27752505       4.55559997       0.58605458       0.56636732      -0.12796616
Li       8.45888998       0.33499702       2.76053003       0.08720872       0.06839219       0.33811410
Li       8.57315005       4.31978006       6.11868005      -0.27932799      -0.41134401      -0.32403389
Li       5.48728005       9.11171005      10.18310005       0.20264887      -0.96068446       0.04859507
Li       3.36772002      11.11739996       0.37617496       0.14918073       1.64128274      -0.87284339
Li       9.92226003       9.47576995       4.51485000       0.09651383      -0.41743742       1.03881540
Li       5.11832003       1.55560002       3.96313997       0.28769454      -0.01322696      -0.02438039
Li       7.79856001       4.36530999       0.89627905      -0.00482929      -0.03392339       0.82577735
Li       0.91725804       6.50694002       4.99006998      -0.31765052      -0.22640786       0.09043079
Li       6.60583001       7.77157000       2.01403997       0.83228079       0.09889042       0.78364859
Li       2.38894000       2.33113003       1.54100997      -1.51278912       0.54355345       0.26096301
Li       5.74978005      11.01339995       6.31814002      -0.90435557      -1.13144893       0.80581541
Li       0.15821205       0.96102399      10.53469997       0.31819946      -0.05433375       0.65084354
Li       0.31216103      10.10210006       7.81632997      -0.86200683      -0.36207871       0.28758473
Li       9.59854002       3.13569998       9.44520996      -0.19159781       1.45372109       0.08160048
Li       2.18919995       4.96691997       9.18824995      -0.55957010       0.34787360       1.75506162
Li       5.83804003       1.73604996      11.21660000      -0.07004557       0.17002573       0.09545384
Li      11.11459996       3.83956003       3.46894998      -0.60889291      -0.66263968      -0.25678452
Li       2.49237995       7.36154002       1.51138995       0.16710110      -0.18539644       0.00994696
Li       1.65111999       2.49192997       7.16119005      -0.69783690      -0.93570579      -0.00491267
Li      11.44650003       5.99111995      11.04170000      -0.15634365      -0.85001700       1.35452901
Li       3.18217995      11.58030001       8.25033000       0.34676328       0.46737112      -0.33612511
Li       6.96766003       6.04982005       9.70454995       0.14352430      -0.07288392      -0.07261272
Li       4.41698001       5.15210005      11.53720001       0.14688899       0.61414419       1.96597620
Li       7.90396997      11.69872792       9.29220995       0.00348485       0.17631131      -0.09455417
Li       4.13697002       5.05616005       4.48934996       0.78589609      -0.97231920      -0.45266389
Cl       9.09427998       6.27512005       1.26793004      -1.32807407      -0.89307366      -2.19997052
Cl       6.08327001       1.55940996       8.97752994      -0.36581596       0.01155998      -2.35996274
Cl       0.41072401       8.05531995       1.22572999      -0.99251437      -3.64360978       1.86132303
Cl       9.88062006       1.16055005       9.76797000      -0.76829666      -1.82074182      -0.42653255
Cl       5.58817001      11.11769995      10.71040001       0.42570104      -0.35609630       1.36650420
Cl      11.38470006      10.03360006      10.93500001      -0.37514445       0.75793763      -1.74025683
Cl       7.55503002       3.32574005      10.72190002       0.59574178       0.69641558       0.43952720
Cl       3.48511998       9.59652999       8.86876997       0.47308456      -2.06715720      -0.17614939
Cl      11.50439997       3.72820000      10.72699998       0.55546649       0.20835123      -0.02040053
Cl       0.58488599       8.01847001       6.54346002      -0.33437165       0.29613711       0.03091906
Cl       9.34718002      10.56240005       6.83219002      -1.26066516      -2.86107620       2.07457856
Cl      11.32020000       7.01172000       9.33746997      -0.01552911       1.02962348      -1.26241949
Cl       3.14378996       9.42553995       1.45514003       0.41720645      -0.43665371       1.08917663
Cl       6.03777997       7.45831000       6.99347000      -1.45177034       0.05540594       1.06198143
Cl       6.84683003       0.40378495       5.16520995       1.90551042       0.78633372      -1.55040277
Cl       5.82185997       7.23876995       0.23624298      -0.77032929       0.01025615      -2.06640114
Cl      11.34670002      10.97319999       4.69136997      -0.07698366      -0.04947386      -1.76890279
Cl       1.70660006      11.18950001       6.70412998      -0.88714411       0.65329479       1.61392635
Cl       5.67659999       4.55542997       2.11258002      -0.43915764       0.49754801      -0.10574103
Cl       2.29455995       0.65801796       9.95417006      -0.11461521       0.84852224       0.58303997
Cl       4.85669003       4.67462995       9.67185006       0.12461257       0.03901758      -1.50980663
Cl       9.70708999       6.57484005       4.37279005      -0.27063958      -0.61016722       2.72449872
Cl       8.76153998       5.52688004       7.90379003       0.12213577      -1.20702597      -0.63191615
Cl       8.17643005       8.06825998       9.10947995      -0.41465712       1.35510763       1.00862960
Cl       3.73719999      11.54520001       5.10739998       1.43938035       0.66935784      -1.63018596
Cl       0.98513198       0.63272805       1.43861002      -0.21392977      -0.26572157       0.31352507
Cl       9.01701995       2.65939005       2.60348996       0.36227490      -0.03300318       0.28427987
Cl       8.72667000       9.63690006       2.89471997      -0.31322280       0.32639021      -1.49735460
Cl       2.73462003       4.23703000       7.41886995       0.71163197      -0.06105864      -1.72433602
Cl       3.06286004       6.82217998       4.96842996       0.21966120       0.68871371      -0.38213628
Cl       4.28422002       1.73873005       1.39008001       1.52784019      -0.87416599      -0.00632788
Cl       5.84438006       8.72221997       3.77675001      -0.54923892      -0.09684386       0.69893010
Cl      11.27209996       2.27161001       6.45633996      -0.46464547       0.58964494      -0.23664526
Cl       2.06838000       6.51337996      11.11870005       1.58871390      -1.53435851       0.11490166
Cl       6.08906003       3.36023996       5.20151994      -0.52847558       1.09515139       0.83343539
Cl       1.62938005       3.78736002       3.61390003       0.17443645       0.23487739      -0.13843164
72
Lattice="11.67460707 0.0 0.0 0.0 11.67460707 0.0 0.0 0.0 11.67460707" Properties=species:S:1:pos:R:3:forces:R:3 energy=-256.01155603 stress="-0.00918033169317858 -0.004264193367513156 -0.00269460124679907 -0.004264193367513156 -0.016920249389523488 0.0008936936361517029 -0.00269460124679907 0.0008936936361517029 -0.014850818818039764" free_energy=-256.01155603 pbc="T T T" config_type=melt 
Li       4.50763000       1.38819997       0.63197100      -0.06264999      -0.40331606      -0.24652916
Li       7.56630000       1.90349005      10.54289996       0.20952992      -0.03202545      -0.04142520
Li      10.76759996       8.02121998       0.77854405       0.22339212      -0.08361808      -0.21168564
Li       8.75697006       7.05513001       5.48815001       1.27556955       1.85573410       0.37897435
Li       3.75810995       8.55817999       2.05685002      -0.13748301       0.14881736      -0.40940919
Li       9.30163998       2.10447004       1.75332004      -0.30544024      -0.07550405       0.17051194
Li      11.50590001       4.40113003       4.75191999      -0.32905269      -0.35049891       1.43433332
Li       8.48386002       9.64818995      10.71050004       0.19932935      -3.45203687       1.37497991
Li       6.94343006       8.28820003       1.82803998       0.02997351      -0.02967991       0.41173070
Li       5.21592001       4.29518005       2.27164002       0.06504353       0.11646088      -0.33243163
Li       9.65830004      10.14619997       3.86763003      -0.32795636      -0.25427656      -0.27677536
Li       5.45039001       6.29731002       4.78733000      -0.38076609      -0.26319383       1.15913299
Li      10.54960002       1.20956004       4.46040995       0.16464016      -0.03609771       0.06957478
Li       1.65423999       5.95375004       7.21778006       2.32917129       2.00293982      -1.16721062
Li      10.74800004       0.32751698      10.57510005      -0.06306855       0.37909492      -0.12810999
Li       4.48174996       3.47715995       8.93574997      -0.20861053      -2.44594508       0.20667981
Li      10.04590003       3.83412005       8.05097003      -0.08585587       0.25782357      -0.50488394
Li       3.67819995      10.35749997       4.70667003       0.04350253       0.07404162      -0.50143137
Li       3.05426996       2.99775996       3.99611001      -0.39077421      -0.32644020      -0.14804731
Li       7.62271999       0.04759294       7.50239005       0.39085927       0.03241315       0.12579977
Li      10.71059997       6.46824997       9.86674000      -0.49104830      -0.92934040      -1.79257312
Li       7.46675997       3.09263995       5.18779996      -0.11598647      -0.13988722       0.06093120
Li       0.68661505       7.92589996       4.50798000       0.77006131       0.93284342      -1.11084311
Li       6.39908995       7.07203998      10.13709996      -0.46077265      -0.10578613       0.12808450
Li       4.48288999      11.49518505       8.72871996       0.14539105      -0.19394408       0.74811247
Li       9.77323001       5.61391997       2.45936000      -0.30767997      -0.53817558      -0.16386143
Li       1.02344999       3.85392999       1.32679995      -0.12373988      -0.48151129      -1.03270961
Li       1.48504995       9.83856999       8.59456005       0.68850140      -1.17591353       0.53342999
Li       1.31438003       2.29839005       9.44135000       0.00709410      -0.55684851      -0.06755039
Li       7.13650996       4.93981998       7.51617998      -0.24187530       0.04379027       0.21524791
Li       1.27660999       0.48888398       6.65689994      -0.28393964       0.29340301       0.12431664
Li      10.54039996       9.26209995       6.92444995       0.25720112       0.18349011       0.10848262
Li       2.30496005       6.14307002      10.77800005      -0.07791391       0.17177968       0.33316871
Li       6.57143003      11.66410004       3.08993997       0.10909988       0.71650287       0.24144079
Li       1.75393996       0.10029293       1.25821000      -0.01902896      -0.08685647      -0.07699353
Li       4.20117005       8.40087995       7.40462000      -1.14474404      -0.84525244      -0.58148136
Cl      11.42269999       5.64227000      11.49114903       1.04120884      -0.89240008       1.84706165
Cl       5.85407995       9.71083005       3.04795003      -0.90540198      -1.75609175       1.69804181
Cl       2.68727004       0.40516000      10.81110001      -0.76187579      -0.76081421       1.28724001
Cl       8.46480998      11.35187108      10.02779996      -0.01314612       3.87083007      -1.52617334
Cl       9.46127996       7.68808997       2.87124002      -0.03040071       0.77734742       0.39399146
Cl      10.75430001       8.42601001       9.98474004      -0.36766087       2.75540400       0.44714000
Cl       5.19521999       3.39951996       4.47369005      -0.18339782      -0.23788376      -0.12947146
Cl       4.93928996       6.68985001       2.88261996       0.06661042      -0.50896864      -0.68889738
Cl       5.43039001       1.68010998      10.23810002      -0.02449935      -0.34222252      -1.08281618
Cl       9.38406002       3.31259002       4.02056995       0.01498618       0.23839259      -0.64813488
Cl      10.71649997       2.71912001       9.69379003      -0.00693180      -0.66635288       0.62129719
Cl       7.99181001      10.90850803       1.71753002       1.86488181       0.35023068      -1.74922151
Cl      11.61750003      10.53629996       4.97189001      -0.09896570      -0.10529936       0.29889214
Cl       1.33825005       9.51519002       2.15261997      -0.77019786      -1.30339314      -0.26306614
Cl      10.97200003       7.14862003       5.76169002      -0.39353626      -0.23722910       0.92080294
Cl       8.02495001       7.59415001       0.11308795      -0.30695927      -0.31315352      -1.08820911
Cl       5.48691997       9.43497999       8.53613004       1.05393853       0.53783058       1.03573355
Cl      11.51009995       1.84235001       1.03675998      -0.49307365      -0.71288945       0.32854932
Cl       8.41552002       9.70248995       6.85587004      -0.12337520      -0.57232565      -0.24801129
Cl       7.45437998       2.62546001       7.54067996       0.20163341      -0.26743185      -0.24447751
Cl       7.50075000       5.60780995       5.18956995      -1.17601387      -1.27954604       0.20089660
Cl       3.60662002      11.31370002       2.55239004       0.01955927       1.70224735       0.33683551
Cl       6.74483005       3.00278004       0.80462104       0.84948157       0.36575679       1.23551518
Cl       1.68393995       6.97956005       8.90199997       0.26284513       1.73101081       1.05990995
Cl       0.13514105       4.95158005       2.80092001       0.80838184       1.14256121       0.50222093
Cl       3.40887996       6.73218003       6.03171003       0.17642512       0.39092957      -0.77857072
Cl       0.58302894       2.31199996       5.35903002       0.95617356      -0.65384907      -0.61093975
Cl       3.08667995       1.30811999       8.17007005      -0.42632333       2.78809371      -1.44084589
Cl       4.07096000       7.03958002       0.08159289       0.05120969       0.30137684      -0.63176651
Cl       0.45085698       4.59610006       7.25443003      -2.50748044      -3.02939704       0.15634810
Cl       2.99437000       2.89131999       1.28726004       0.46305228       0.90719421       0.84799796
Cl       0.15510696      11.36249999       8.66821001      -1.06782455       0.68569775      -0.47412854
Cl       4.87333999       5.36577001       8.68758005       1.12469643       1.83486077      -0.19382789
Cl       2.77134006      10.51379996       6.82089000       0.68186201      -1.67909494      -0.93458066
Cl       8.51474998       0.31769501       4.50984000      -0.68633522       0.41997614       0.64727441
Cl       8.98722005       5.77815005       8.54715005      -0.64351973       0.11561609      -0.16359036
72
Lattice="11.65654173 0.0 0.0 0.0 11.65654173 0.0 0.0 0.0 11.65654173" Properties=species:S:1:pos:R:3:forces:R:3 energy=-256.98474819 stress="-0.01401111203257423 0.0041718925074955135 -0.0016313215821954405 0.0041718925074955135 -0.0156951267753763 0.002223368025568433 -0.0016313215821954405 0.002223368025568433 -0.015165814476725638" free_energy=-256.98474819 pbc="T T T" config_type=melt 
Li       5.88734995       4.83882001       1.32359006      -0.02398482       0.00453708       0.43598692
Li       7.34464998       0.50266295      10.52319996      -0.00324431       0.07399040      -0.03550050
Li       8.61637006       0.84574097       7.52273000      -0.61571925      -0.70931407      -1.23384631
Li       9.96076995       2.50412998       0.89160701       0.25886323       0.57858470      -0.26256983
Li       6.91247006       2.16505995       4.83022995      -0.18506018      -0.16828470      -0.70043346
Li       4.83523003       5.57176995       8.50313002      -0.03510766       0.46219468       0.32731682
Li       2.87422005       7.64961996       6.11177999      -0.27519747      -0.72230512       0.30118677
Li       1.25654000       4.48550999      11.61680003       0.05330611       0.43651704      -1.96968750
Li      11.01159996       6.53359002       8.70156003       1.58868809      -1.30377756      -0.31052525
Li       7.95807001       4.80693004       8.18080997       1.25773793       0.28943626       1.25163545
Li      10.94830005       8.50778995       5.55125000      -0.10889994       0.18740727      -0.42923485
Li       9.60887003      10.29779997       0.56266104       0.15151920      -0.48674788      -0.29812597
Li      11.07150002       2.65251997       9.25065005       0.30793487      -0.40408065      -0.52536786
Li       5.32581004      11.16339996       5.28530997      -0.53871020       0.23451500      -0.22703948
Li       1.58916000       6.65435995       2.62941997      -1.58422370       0.86882203      -1.07124751
Li       8.19621001      10.36439997       3.91217005       0.67331624      -0.62118386       0.43337857
Li       6.79267997       7.95842996      11.63689568      -0.08098578      -0.73412323       0.78631582
Li       1.94988998      10.14249999       4.10284998       0.38904960       0.77127191      -0.48196339
Li       5.63523002       2.81155996       8.39715002       0.26413597      -0.24556861       0.07302357
Li       4.40612999       8.01143995       2.77577998      -0.23044080      -0.10091992       0.61645055
Li       9.87456994       6.58731001       0.18486203       0.41108818      -0.36410635       0.70101999
Li       4.71939000      11.40929995       1.34852002      -0.38121472       0.04946167       0.58054084
Li       0.28996102      10.20979996       8.89608999      -0.57134036       0.64275409      -0.80135767
Li       1.48822997      10.70860005       0.77376497       0.78413948       0.39029631       0.58743519
Li       8.92452997       8.75435006       9.03360000      -0.45621220       0.59803851      -0.27404097
Li      10.67930005       0.90429900       3.74640004      -0.00305278       1.18926772      -0.32623923
Li       2.82844003       2.54169004       2.66967001      -0.08654641      -0.01875100      -0.06410788
Li       1.16855001       4.92464001       5.28496004      -0.04000623       0.76233447       0.35329117
Li       5.90718006       8.52590002       6.24045003      -0.14397887       0.06132728      -0.43058163
Li       4.85199994       4.32881996       5.13816000      -0.16915500       0.06812075      -0.21562330
Li       5.10915001      10.27670000       8.65693995       1.26811535      -0.43774813      -0.07061125
Li       2.86509997       0.28393506       9.82314000       0.03755232       0.78094305       0.40876335
Li       8.19419996       6.77400002       2.91597996      -0.01365708       1.35859614       0.61524163
Li       9.11385004       4.71519003       5.20487004       0.06110708      -0.17548671      -0.27882908
Li       2.64933004       7.99306003       9.41395004       0.03850759       0.19763768       0.26348367
Li       2.60318005       1.69280006       6.97347002       0.16137342       0.13676932      -0.36044801
Cl      10.17810000       0.66469098       8.82478996       1.13666325      -1.54412005       0.76622726
Cl       7.23844000       8.01868997       4.68438004       1.68469667       0.06779168       0.63793673
Cl       6.97428994       9.79991003      10.64849997       0.19476021       0.47576962      -0.85130875
Cl       3.09054996      10.41149998       8.29306002      -0.40729231      -0.03730504      -2.63273207
Cl       3.74539000       9.31316000       5.32108005       1.59341397       1.00545127      -0.56927111
Cl      10.63259998      10.68239999       4.38339997      -0.40771127      -2.16732168       2.06992916
Cl      10.81130001       5.65191998       6.53716998      -0.36993786      -0.78615340      -0.65980905
Cl      10.45239999       4.00356002      10.73629996      -0.11030408       0.17653337       0.75530601
Cl      11.12899999       8.37589001       7.78186996       0.28063572       2.10786766      -0.06725119
Cl       5.30873997       0.72822904       9.31430001       0.38357295       0.78359932       0.45785606
Cl       9.28895997       5.15148005       2.52294003       1.06271993      -1.33795528       0.06731314
Cl       1.23742000       6.70042999      11.18720005      -0.07792635       0.20006847      -0.35040653
Cl       6.25273999       7.01887995       2.30084001      -1.47745923      -0.84838159      -2.33343247
Cl       3.36101006       0.58276601       3.60445996      -0.38444660      -0.57240298       0.24236969
Cl       1.27545005       8.07821002       4.44130000      -1.49431865      -0.95106761      -0.05331055
Cl       3.24052000       1.19369002       0.24398401      -0.04184214      -0.04111225       0.40050545
Cl       1.06145996       3.81281995       1.77336996      -0.62316027      -0.94178369       1.89584096
Cl       6.37308002      11.13689998       3.29374995      -0.29013425       0.41242843      -0.69481409
Cl       2.96917995       5.71356000       7.18189995      -0.64803323      -0.20085989      -0.01627493
Cl      11.26899995      10.98530001       1.65345002       1.33260391       0.31318269       0.12276051
Cl       1.63401996       2.46425995       8.80950998       0.29171124      -0.17488323       0.25879284
Cl       5.19554003       7.84880998       8.07683000      -0.46083386      -0.08607583       1.71234927
Cl       6.44769005       5.18112998       6.95815997      -0.79686696       0.48017288      -1.52331851
Cl       9.34281005       6.76832002       9.74280999      -2.32762279      -0.15612265       0.62724090
Cl       1.89455999       2.99872999       5.22164998      -0.00900672      -0.77067686      -0.21669297
Cl       7.94465997       2.70268005       8.15661996      -0.27418165       0.52003181       1.12792300
Cl       1.61261004      10.10530000      10.45160000      -1.10073915      -0.93772661       1.48700758
Cl       5.44792001       4.94935002      10.81459998       0.02170173       0.09587440      -0.80817356
Cl       6.23738004       3.20456994       2.93335998      -0.29262139       0.38199220       0.09495784
Cl       3.25375006       9.34143003       1.53422003       0.03939371       0.12838204      -0.04873019
Cl       3.18772997       5.74600004       3.22373003       2.21021880      -0.90752078       1.02437814
Cl       8.93286999       1.70406004       5.35024996       0.86440864       0.35209328      -0.65414421
Cl       5.25306995       2.31286000       6.20068001      -1.01520379      -0.55816010       0.21109948
Cl       6.78513003      10.44259998       6.84884003       0.79817536       0.88328246       0.49865172
Cl       8.88621002       8.42095000       1.24455998       0.28787949      -0.71387267       0.10106897
Cl       8.95145005       0.57581404       0.57775824      -1.73260996       1.69855505      -0.44753390
72
Lattice="11.66616225 0.0 0.0 0.0 11.66616225 0.0 0.0 0.0 11.66616225" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.10274314 stress="-0.027977118089276765 0.006181116851558542 -0.004220328303519831 0.006181116851558542 -0.025881238361408005 0.000376555007836 -0.004220328303519831 0.000376555007836 -0.017016831050990205" free_energy=-253.10274314 pbc="T T T" config_type=melt 
Li       5.43305997       1.62414001       7.21048997       0.62215229       0.03286905       0.34857190
Li       6.15207005       9.00181005       8.49905002       0.01732687       4.20819697       1.95190285
Li       9.28921996       1.38582995       2.17898000      -0.21883716      -0.29775110       0.32262985
Li       0.01862223       5.59193000       9.77540004      -0.37510102      -0.97764430      -0.57727797
Li       5.88388994       9.12206998       1.70852999       0.42940107      -0.51554694       0.00762460
Li       9.73495998       3.29336997      10.55779996       0.06930736       0.35520076       0.00812327
Li       1.31568003       6.80411006       3.20375996      -0.08383490      -0.29273702       0.16681614
Li       7.50405004      10.61690003      11.18749996      -0.01820688       0.39224502      -1.80546641
Li       0.06373854      10.92729998       4.78919001       2.38582913      -2.05635464      -0.33641024
Li       0.47464201       8.55650004       0.36189205       1.16635955       1.32005756       1.19073859
Li      10.74100000       7.40569998       5.93260002       0.09635454      -0.64321062      -0.53762623
Li       6.12114002       7.41153003       5.20384998       1.42589629       0.19059960       0.65724766
Li       7.32704998       3.36647003       5.03731003      -0.12817063       0.04550323       0.12393374
Li      11.00619999       4.18702005       5.01902006       5.03132152      -2.40441301       0.47716917
Li      11.53708830       0.24978105      11.30290001       0.16042404      -0.28595279      -0.08324138
Li       3.69558005       6.21493001       0.13516497       0.20907052      -0.86368406       0.42750125
Li       7.37248000       5.33252005       7.92837998      -0.65637488      -0.22980827      -0.34378702
Li       4.17166994       9.98257999       5.62354997      -0.29325847       0.23785047      -0.04592322
Li       9.12449001       5.50854996       2.73595000      -0.33966798       0.23186638       0.07869451
Li       9.80001995       8.19574999       9.96253998      -0.60137594      -0.44236485      -0.72737540
Li      10.93100002      10.54149999       8.18319999      -0.71972000      -0.63007453      -0.85614057
Li       2.25313001      11.14749996       2.19353004      -0.08293450      -0.28124566       0.33644035
Li       1.53824999       2.95900994       8.66231995      -0.47104630      -0.04495625       0.24543243
Li       5.56513003       2.88889001      10.51879998      -0.04447825      -1.87991120      -0.64221206
Li       5.13497004       1.07980003       2.41658998      -0.14064943       1.10932650       0.00554684
Li       4.63157001       5.05550995       2.80252996      -0.87319908       1.04719782       0.02026350
Li       8.21548995      10.48290004       5.90658996       0.54437426       1.13902932       0.28388306
Li       4.26355999      10.94150003      10.27890005       0.44774273       0.06145840      -0.08959144
Li       4.26789000       6.11700005       8.89578003       0.28823670      -0.13380508      -0.09914735
Li       7.25353997       5.33008999       0.18323773       2.20795298       0.94066912       1.66155751
Li       1.69751002       8.72939000       9.14006002       0.84391903      -1.00221649      -0.52760678
Li       9.56059006       1.83230996       6.81601001       0.09202436       0.26851508      -0.03167288
Li       2.02315997       2.85070001       1.14005996       0.21691906       0.06904297      -0.27718901
Li       9.41095998       9.55520006       2.19906995       1.16637460      -1.20291597       0.62708748
Li       2.04173005       5.54907004       6.88624999       0.62590268      -0.07686382       0.83307156
Li       2.55983004       1.75836002       4.97969004      -2.69988315       2.08195880      -0.48158726
Cl       7.46826001       1.24249003       5.91029000      -0.16290844       0.16227672       0.46297028
Cl      10.21550006       0.27123897       5.02282999      -2.26338214       4.74422676      -0.44406593
Cl       0.05477275       7.83610005       7.76878000       0.69788915      -0.42687175       0.62502057
Cl       5.82449005       9.29998001      11.03289998      -0.30884924      -0.66319533      -0.31566690
Cl       2.72096995       1.53209002       2.98975005      -0.71561669       0.40948482      -1.27674131
Cl       6.08441004       0.95231302       9.60875999       0.13108633      -0.56049467      -0.47035849
Cl      10.48920001       7.24956998       2.63359005       0.46492863       0.51347143       0.17876092
Cl       5.59329996       3.89770004       7.19083004       0.21540017       0.59581838       0.19313790
Cl       3.81848003       0.91662705       5.99260994       2.47333174      -2.46065827       2.09843203
Cl       8.01365006      10.81109999       1.44837994      -0.43226929       1.04741218       1.33382644
Cl      10.05969998       9.44666998       5.83874995       0.07523337      -1.84695848       0.23297815
Cl       2.01792000       5.14788997       9.03263998       1.78481194       0.67014301      -0.33842145
Cl       6.12646002       7.34650004       7.80937999      -0.05223816      -4.67287544      -1.83060844
Cl       6.50758001       9.62667000       5.27649004      -1.16538891      -0.35203820      -0.44608539
Cl       4.36028006       7.06502004       4.43241999      -2.15011591      -0.52739497      -0.68046685
Cl       0.57246500      10.29979998       9.79143996       0.03958910       1.80248897       1.06288156
Cl       5.93190997       3.63977006       3.38570998       0.07124597      -1.29766598       0.29122100
Cl       0.98205602       5.44419999       5.23079998      -0.46658138       2.88063361      -2.80953045
Cl       1.87648995      10.02390002       4.17723995       0.57115454      -0.66151869       0.22452304
Cl       4.26677996       2.26034005       0.36269795      -0.67627864      -0.57441024       0.47341305
Cl      11.48209996      10.39089999       1.44759994       0.34677607       0.39656095       0.14410130
Cl      10.33860000       1.83184005       0.36746999      -0.94295224      -1.94659072       0.24340797
Cl       3.85760006       9.61091998       8.34034005      -0.36259190       0.25987215      -0.34450367
Cl       5.73987001       4.80076996      10.82360005      -2.22404986       2.15589140      -1.23540763
Cl       6.82052995       6.82602996       2.18194997       0.16381128       0.06590942      -0.52555767
Cl       0.66278501       3.18499004      10.88150003       1.97826091       0.28564259       0.10993775
Cl      10.59339995       3.39002004       8.55624000      -0.83908233      -0.87251307      -1.38080811
Cl       1.17341001       3.08867000       6.45983006       0.38778506      -2.14359005       0.06342796
Cl       8.73124002       3.51765999       1.95727999      -0.60544581       0.83135566      -0.22008796
Cl       8.84212000       9.88984999       9.13687003      -0.60725505       0.82724024      -0.13061478
Cl       2.48553000       7.73351995      11.09490003       0.86503895       1.02206246       0.01287385
Cl       9.35886998       4.74831003       4.93204998      -5.66183171       1.79726048       0.46925296
Cl       8.79213003       5.72428996       9.41622002       0.20848567       0.42708806       1.14874033
Cl       2.24930001       5.05466998       1.63611999       0.60231353       0.77465707       0.51932893
Cl      11.29600005       7.23508002      10.94119998      -1.47692857      -1.53246345       0.33202967
Cl       4.51087994      10.74420003       2.06913002      -0.26352716      -0.60038751      -0.08332167
72
Lattice="11.64897202 0.0 0.0 0.0 11.64897202 0.0 0.0 0.0 11.64897202" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.75609456 stress="-0.012467238736779351 0.009356921437609335 -0.0008475233581438614 0.009356921437609335 -0.024580246502620796 -0.005737296070023892 -0.0008475233581438614 -0.005737296070023892 -0.021015039548628524" free_energy=-252.75609456 pbc="T T T" config_type=melt 
Li       7.05214997       1.47686005       4.82830005      -1.32606066      -0.72580257      -2.04109945
Li       6.17255997       2.56616999       7.92106997      -0.46514756       0.13152595      -0.15525555
Li       9.74918998       1.81258005       2.62302000      -0.47547376      -0.27989632      -0.15560013
Li       2.85063998      10.92699995      10.05519997      -0.25510298      -0.09896037       0.39242220
Li       5.22108999       0.97031301      11.33300006       0.47423269       0.64878474      -0.02769602
Li       2.09231997       6.63498001       6.50595996      -0.50673603       0.20507864      -0.41404697
Li       5.07456002       7.72705996       7.91416004      -0.06204205      -0.05312060      -0.15702736
Li      10.09180000       9.74524005       9.55471995      -0.89130336       0.57300727      -0.04480864
Li       9.62627003       7.16987005       6.72117996      -0.53413214      -1.31460940       1.50792882
Li       9.38869006       3.96091003       5.81386005       0.13810217       0.33153945       0.08821930
Li      10.70349998       8.85695002       3.60687994      -0.09941806       0.27959384      -0.01315074
Li       4.65301995       8.38075006      11.56360707       0.16237715       0.34793817       0.28718174
Li       0.29108696       5.01498997       9.09810005      -0.10089957      -0.27633974       1.84430716
Li       8.27761996       6.94379997      10.32910004      -3.62117557       5.40404588       2.29624368
Li       2.65732005       5.60459000       1.54384001       0.52262996       0.00393208       0.52472630
Li       6.97383999       9.31815006       5.56583002       0.00710329      -0.63525280      -0.54636738
Li       8.48774004       2.98621002      10.12399997       0.59921613       0.92290285       0.28002480
Li       1.84821996       7.95275995      10.53520006       1.25164973      -1.03589021       0.59237698
Li       4.96858000       5.22650001       5.39995006      -0.05160173       1.04821082       0.25993552
Li       3.79456003       8.52934004       3.48095001       0.08729809      -0.18322235       0.03150197
Li       0.83509395       0.76737498       4.53347005      -0.45740590      -0.35183506      -1.36236247
Li       1.33136998       2.86439998       0.68665401      -0.04337838      -0.02430847      -0.11000939
Li       3.70842997       4.26897000       9.69180004      -0.20551659       0.55123796      -0.01237894
Li       2.15313005      11.03819999       1.70359995       1.09720143      -0.87853642       1.20736121
Li       6.43157999       3.73876005       1.52282002      -1.34833061      -0.69564092      -0.65536177
Li       8.59830999       0.41826904       7.15304999      -0.22491999      -1.19694389      -0.52424529
Li       0.33326905       5.61453997       4.22276995      -0.09509229      -0.09395233      -0.26313534
Li       7.55227004       6.67706996       3.48332000       0.20519549      -0.77035558       0.47967293
Li       7.52769001      11.03279999       9.45384998      -0.00613609       0.23117042      -1.11261050
Li      11.42865606       1.15013003      10.17180001       1.01306087      -1.01547909      -0.22460097
Li       1.58326001       9.63579004       7.19100001      -1.13847792       0.11150276       0.42263033
Li      10.67150002       5.63765001       0.60683095      -0.11805201      -0.45318266       0.43202076
Li       7.36057002      10.58839998       2.21481998      -0.04074264       0.75705929      -0.00303730
Li       4.09582003       2.30636005       3.51402005       0.08550580      -0.38265697       0.80627262
Li       1.91090005       2.53835003       7.54803005       0.47002038      -1.15055103      -1.79103148
Li       3.97234000      11.07120002       6.32011005       0.04939352      -0.25481796      -0.16640751
Cl      10.98539998       0.02261858       3.03394995      -0.14554363      -0.71784180      -0.09639842
Cl       8.11428006      11.17829997       4.89773002       0.67614443      -0.31365052      -1.30327491
Cl       7.91333995       2.24979998       6.39181005       2.07587200       2.24739553       1.62191515
Cl       4.67056994       8.80109995       5.58325001      -1.22288856       0.66931283      -0.36266986
Cl       5.26345999       3.09781998      10.66599996      -0.75879713       1.30952394      -0.02251470
Cl       0.32162800       8.96720998       9.80762996      -1.00011991       0.44262972       0.34851324
Cl       7.15907996       1.50631995       9.59366001      -0.00422257      -1.42329168      -0.49577316
Cl       5.80769996       6.80103995      10.63440003      -0.10016627      -0.39911781      -0.59384647
Cl       6.70841001       6.69911995       5.90266005       0.94673874      -0.55333856       0.07529847
Cl       1.38651994      10.79740001       5.57175003       0.13198717      -1.40782911      -0.10420768
Cl       2.12696006       5.54488995      11.06299995      -0.70337972       0.17777101      -0.30418986
Cl       0.16422802       5.33196002       7.15846000      -0.24869097       0.78282868      -1.99132444
Cl       7.39878004       9.61941997      10.88429995       0.77158037      -0.61453506       0.87180487
Cl       4.22496997      10.82809995       0.20662795      -0.03252971      -0.89081214       0.07014568
Cl       9.65413006       8.85469000       7.60510000      -0.25787359       1.72943762       0.45647677
Cl       9.93343001       6.55363000       4.93858006       0.04647310      -1.00894984      -2.44386575
Cl      10.85400004       3.40367003       1.73028996       1.35567052       1.25701168       1.93890601
Cl       7.11000005       8.49570002       2.53578003      -0.26402092       0.20827373      -0.02132761
Cl       9.03011001       5.53820006       9.68769005       3.12038546      -5.05217632      -2.19222261
Cl       1.66482006       3.31675997       9.29759999      -0.10730940      -0.50053348       1.46669905
Cl       3.61959002       5.61929997       7.33299003       1.17885762      -0.52928470       1.33034829
Cl       5.29602003       3.20132005       5.57832995      -0.66225426      -1.37153052      -0.35145688
Cl       3.41858002       6.15522001       4.09853995      -1.13498480       0.06034599      -0.68591102
Cl       2.99231000       0.40961805       8.27149004       0.29481348       1.45211202      -0.72654300
Cl       1.08630998       2.46301997       5.50321004      -0.04599282       1.93337452       0.29345495
Cl       3.78707999       0.04973552       3.52459999      -0.10933731      -0.16101075       0.03572427
Cl       9.89886005       0.40882801       8.79702002       0.83078510      -0.94703157       0.17202448
Cl       2.60667998       7.87649996       1.14795995       1.08618770       1.52311905       0.45382672
Cl       3.88393001       3.29803995       1.68766998      -0.87018978       0.79820894      -0.05140024
Cl       1.27872001       0.58212301       0.40302799      -0.84837075       0.99213874      -1.76615468
Cl       6.92194999       1.57041003       2.16464005       0.42789905      -0.62311564       0.19145570
Cl      10.54090002       2.80305999      10.79670003      -0.76438743       1.26104455      -0.92551856
Cl       6.53347996      10.46810000       7.25991999      -0.42882341       0.93700400       2.18881147
Cl       2.95607005       9.13167996       8.55956003       2.09909263      -1.90652447       0.96238869
Cl       8.02516996       4.78849004       2.14882005       0.73788782       1.22225345       0.59130232
Cl      11.54826107       7.13332001       2.36189000      -0.16633302      -0.25938738      -0.30308939
72
Lattice="11.62386905 0.0 0.0 0.0 11.62386905 0.0 0.0 0.0 11.62386905" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.97542821 stress="-0.004593416415179787 -0.003229229594809976 0.0058926075049615416 -0.003229229594809976 -0.026388937131593425 -0.0015656152058613289 0.0058926075049615416 -0.0015656152058613289 -0.018803776530553155" free_energy=-254.97542821 pbc="T T T" config_type=melt 
Li       8.12491999       5.84554994      10.83780002       0.25048214       0.83803472       0.13249253
Li       1.07487998       5.26441995       8.27526997       0.98762691      -0.30505864      -0.51304690
Li       8.80178997       2.28339005       6.41916998      -0.66298232      -0.56480022      -0.76519925
Li       9.53339001       5.87529995       3.27480995      -0.15553846      -0.20784153       0.17787930
Li       0.14360500       0.60341004       0.56859097       1.42123116       0.01104080      -1.35346079
Li       2.76519000       5.96016001       4.70631999      -0.14457729      -2.47424387       0.32071524
Li       2.90891996       2.72208998      10.64360004       0.19879138       0.16172134      -0.89740356
Li       8.22452004       9.30214999       4.97255995      -0.40281978       0.11193293       0.01309573
Li       6.43405004       8.15523004       9.00417002      -0.01584588       0.34239617      -1.11333274
Li       2.90708002       9.64866997       4.58598005       0.14914927       2.02087727       0.51947916
Li      11.57519642       7.42688003      10.56000001      -0.06110177      -0.13226686       0.00539425
Li       5.18108995       7.76798003       2.46916005      -0.17134943       0.84477356      -0.33613224
Li       9.99128002       9.10985005       2.09223006      -0.61776532       0.05223408      -1.15965343
Li       5.91766001       0.86106297       5.19162001       2.53960896       1.88807535      -1.60775360
Li       9.13620996      10.44939995       9.40715003       0.07820416       0.08933923       0.14211806
Li       1.91577996       9.13184997       1.96173004       0.31452480      -3.90584466      -1.64548812
Li       8.60391999       1.64729997       2.52598996      -1.25296111       0.92456532       0.54343427
Li       3.52046996       7.27496002      10.94920005       1.19477843       0.62844429      -1.40919388
Li       3.95551999       2.53768996       7.23455998       0.50684776       0.20239775      -0.37544304
Li       5.21440000       4.72780997       9.54015999      -0.41933482       1.13225793       1.23511430
Li       1.70754997      10.31420005       9.68005000       0.02905520      -0.13445983       0.27489442
Li       1.38919997       4.75851000       1.36305999       0.25173839       0.18229799       0.07147974
Li       6.53252002       9.69838002       0.51572399      -0.60300838       0.32834745      -0.63555407
Li       4.91319999      11.10079994       8.70282005      -0.21334054       0.64548747      -1.22178522
Li       5.85309000       4.09569002       2.72196002       0.32550409      -0.39244321       0.62950374
Li       1.68835001       0.30124303       6.70067998       1.65737407       0.06886773       3.76739269
Li      11.50720004       8.01786997       5.79526997       1.01088411       0.12818601       0.42038368
Li       3.23559996       7.89997999       7.36874000       0.25218680       0.23581044       0.31413002
Li       1.92444997       1.65993999       3.16465996      -0.11519163       0.31534725      -0.26185318
Li       3.92673999       0.75103097       1.00554999       0.24778687      -0.59456234       0.66992719
Li       7.12734002       2.16732002      10.39060002      -0.16197483      -0.54020056       0.07680790
Li       6.41645999       6.22097999       5.91979996      -0.16023404      -0.07898956       0.91641433
Li      10.68129997       3.16605005       9.70092995       0.07529400       0.92922791      -0.15300925
Li       9.28632003       5.98278994       7.60578998       0.39426591       0.27042123       0.25569344
Li      11.32020000      11.00510005       4.86029999       0.34476289       0.70792770       0.07323770
Li      11.57739996       3.76580996       5.51136998      -0.24995361      -0.66743992      -0.25536752
Cl       8.79622005       8.12124998       8.64596003      -0.19501956      -0.11103359       0.05819523
Cl       2.03821998      10.82770004       2.59617999      -0.96919410       4.28600589       2.09483322
Cl       1.92585994       2.63854005       8.10169003      -0.21840477      -0.04586131       0.23712254
Cl       2.35295995       7.07514001       0.90409698      -2.18170261       1.42420174       2.53507882
Cl       2.74155996       0.43553103      11.00450002      -0.58242380      -1.52010895      -2.25440583
Cl       1.18662000       1.14062005       5.19427002      -1.96374360       2.37025893      -3.42422834
Cl       6.34946001       7.45067002      10.95890005      -0.22384720      -0.71193871       1.04609575
Cl       5.43016005       8.77054001       7.05083997       1.45669486      -0.49878674      -1.75159835
Cl      10.93169996       9.65290001      10.84329997       0.53684968       0.25627137       0.16725468
Cl       1.15293995       7.48623999       8.45353002       0.32797930       0.63390638       0.38106744
Cl       1.52188005       9.96791000       6.49067002      -0.62284422      -2.04119466      -0.28041890
Cl      10.32960005       9.26627001       4.15491003       0.84127726       0.72216748      -0.06495186
Cl       6.46470997      11.45554508       9.95695997       1.92295180      -0.19431955       1.01515743
Cl       4.35207003       9.75018005       1.32211002       0.78877568      -0.65875558      -0.43552708
Cl       1.08604005       5.47903005       5.96502995       0.03376371       1.50491321       1.63975756
Cl       5.58985005       3.42375995       5.16409004      -0.36957540      -0.69592704       0.11932884
Cl       8.71637999       3.57929999       3.93012997       0.36329578       0.05849807      -0.32041178
Cl       6.07664001       6.41149997       3.89998998       0.18878103      -0.47546893      -1.18921345
Cl       5.18916005       2.76346002       9.30086997       0.01014469      -1.77758946      -0.22364579
Cl       5.80127997       1.34328999       1.77033002       0.83054093       0.85439822       0.58351202
Cl      10.26740003       6.95650994       1.32198995       0.00450934      -0.43368706       0.04993327
Cl       9.72668996       6.95340997       5.63378002      -1.63793046      -1.38866981      -0.07495651
Cl       3.05084996       7.74900999       4.05647004       0.25688834       0.69496200      -0.87072249
Cl       1.80699995       2.53241005       0.88166896      -0.98897342       0.68847642       1.20702475
Cl       7.41913005       9.16302995       2.35877002       0.89081148      -0.04090998       0.90323458
Cl      10.16479997       0.69739297       1.71931995      -0.26662344      -0.81478783       0.71175168
Cl       8.42594995       0.12570296       5.90711995      -0.13649549      -0.21068852      -0.20157866
Cl      10.43299995       1.24698996       9.73998999      -0.46033044      -2.26286956       0.07405905
Cl       4.53706995      11.61248591       6.06329000      -2.80144424      -0.89026985       1.71863285
Cl       5.18925002       5.71992997       7.76697003      -0.08794429       0.48313820      -0.73366471
Cl       7.93678000       3.86479999      11.58450005      -0.03537008      -0.18189320       0.13527606
Cl       1.49015002       4.01931004       3.65268996       0.32325308      -0.26458981      -1.29905799
Cl      10.99520000       5.20022005       9.45946999      -0.76051660       1.34582200       1.93461610
Cl       3.80160997       9.46451998       9.13812000      -1.98504347      -1.07955626       1.71243041
Cl       9.86462995       3.82147005       7.24573005      -0.02203034      -0.23835898      -0.37698441
Cl       3.05832004       5.10351004      10.92080003       0.91082246      -1.84761533      -1.67890702
72
Lattice="11.60611548 0.0 0.0 0.0 11.60611548 0.0 0.0 0.0 11.60611548" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.75103581 stress="-0.01601027582539045 -0.004193113669731062 -0.0007796614391840713 -0.004193113669731062 -0.015927962222577953 -0.002056830137962278 -0.0007796614391840713 -0.002056830137962278 -0.0188959168714391" free_energy=-255.75103581 pbc="T T T" config_type=melt 
Li       8.88252995      11.01229996      10.37680002       0.24483358       0.69448616       0.01966235
Li       5.35241003       1.20491998       4.60313999       0.19350177      -0.46215060       0.59134986
Li       7.73419999       1.50186001       6.96252005       2.53089457       1.61181371       0.14134093
Li       9.59296999       5.65402999       4.46519005       0.29823037      -0.25169889       0.02529703
Li       2.45693004      11.50499998       4.26822000       0.04744534      -0.72331927       0.63697225
Li       6.17919001       5.46720995       5.44853002       0.14336356       0.15587450      -0.11719721
Li       0.26672200       0.62605801       1.51503005      -0.56597953      -0.13151546      -1.31044728
Li       9.61741003       2.86600998      10.62680004       0.62493276       0.19820394      -0.15569705
Li       7.62484996       5.09903994       8.05642998       2.68744092       1.57798720       1.12965546
Li       4.27075001       1.95765004       8.36805998      -0.13830787      -0.79528346      -3.86713796
Li      10.76610001      11.25300000       7.49622994       0.69180038       1.21020862      -0.26499651
Li       5.93054001       8.65477003       4.67002998      -0.06803053      -0.24141148      -0.03152122
Li       4.04724002       2.24204002       1.38564995      -1.33044844      -1.87014880       0.47447050
Li       1.58309005       3.86742996      10.25560003      -0.24413955      -0.19577164       0.40633244
Li       5.34669994       7.92878000       9.75461996       0.48378436      -0.37380470       0.11796341
Li       3.39251003       5.68758002       7.82259994       0.53819363       0.19097426       0.00006862
Li       9.75464004       1.88215005       3.84592000      -0.04789609      -0.69363352      -1.31584637
Li       4.38135003       5.71199001       2.05120995      -0.26431112      -0.17783554      -0.24717671
Li      10.41310001       6.83114997      10.59090001      -0.46874743       0.83615561       0.20202385
Li      11.24359997       3.93601003       6.54698003       0.30233636       0.18781387       1.49356337
Li       2.56846005       3.77007995       4.50413994       0.39123942      -0.36665325      -0.52557372
Li       2.56537004      11.43550001      10.56810003       0.19926334       0.28301977      -0.55883664
Li      10.53449997       9.85200003       4.31590001      -0.01828260       0.66766038      -0.35314161
Li       5.89102002       4.45175005      10.55830005       0.27946293      -0.73664138      -0.11924987
Li       2.53443997       7.88239999      10.60739996      -0.11757803      -0.29871312      -0.23039900
Li      11.38600005       4.51426999       1.67923999      -0.03590033      -0.16464124      -0.07081878
Li       7.76869000      10.46909998       2.56330995      -0.00414946       0.01297348      -0.08559178
Li       7.60193995       7.09868996       0.37364403      -0.19367739       0.57547534       0.31194174
Li       7.38528000       3.09070995       1.92591996      -0.14710771       0.38863539      -2.28574892
Li       0.08977667       7.55218001       7.52828000      -0.37166268      -0.25511514      -0.16105066
Li       8.31272005       8.68793996       7.11614997      -0.60855539      -0.50517465      -0.29705514
Li       2.27046004       7.09149997       4.08887000      -1.12428948       0.38902479       0.22972944
Li       0.80743397       8.91860001       1.67665995      -0.16736493       1.31163346       1.94614957
Li       4.37001004       9.76369003       7.11453997       0.85301232      -0.79730407       0.50221261
Li       5.78246002       0.52057896      10.88879998       0.15109987      -0.09703129      -0.74912209
Li       4.82618005       9.47979005       1.04831994      -1.71923405       1.97013960      -1.81860049
Cl       4.22526994       2.17989995      10.18409997      -0.25564945       0.27848547       3.48519366
Cl       5.08829001       0.17439697       1.23563998       0.06433464      -0.06304944       1.42392810
Cl      10.24579994       9.36693996       7.71494997       0.95139016      -1.35071566       1.07029131
Cl       0.05118552       2.33018000       2.62500005      -0.33597623       1.32991356       0.83715853
Cl       5.15616002       3.77049998       1.01070998       1.96794048       1.95758369       0.61260126
Cl       7.88549000       5.60914996      10.43370005      -0.08086696      -0.23757944      -0.40028890
Cl       3.64396001       9.76594997       5.15618997       0.32839781      -0.56543692      -1.39442954
Cl       9.48347998       6.28774003       7.30657998       0.44219191      -0.36619495      -0.05662758
Cl       6.14842997       0.57191095       6.69458997      -2.98408523      -1.35331023      -0.41200895
Cl       3.96341996       5.90086004       4.56120002       1.22832102      -0.41396226      -0.24975663
Cl       6.01600002       4.31086005       7.46735996      -2.47654573      -1.30983456      -0.97496670
Cl       2.19931002       9.67130001       0.22978994       1.87127726       1.45664894      -0.33257347
Cl       0.43784001       1.51424002      10.91820001       0.22154079      -0.04418230      -0.18532210
Cl       9.72723998      11.03160000       1.71085005      -0.37966688       0.10884307       0.04098648
Cl       3.31896997      11.12270000       8.16170000      -1.67202977       1.71495889       0.52528637
Cl       7.72386997       9.27544002      10.77160003       0.98214009      -1.04617805       0.40471318
Cl      11.02269996       4.95254001      10.11070000       0.60197340      -1.68975053      -0.08689216
Cl       4.49909001       6.04481997      10.68109995      -1.11370892       1.38606243      -0.37246412
Cl       1.05167005       4.88306000       5.40414000      -0.35280036       1.26991805      -0.93445954
Cl       6.78334995       2.35526000       3.57744002       0.19317469      -0.81613343       2.12478856
Cl       5.86120995       8.29192003       2.12284000       1.48100906      -1.77039755       1.69023587
Cl       4.91912995       9.87191996      10.36200002      -0.59244778       0.36391282       0.15020789
Cl       2.18749999       3.99064002       8.12282996       0.00770192      -0.98746008       0.14927314
Cl       3.41190002       1.66157002       3.81947999      -0.13066721       1.53403560      -0.13929640
Cl       8.69371005      10.40389995       5.29341998      -0.81624452       0.40029616      -0.72327764
Cl       2.01377002       5.00413001       1.39423998       0.32566843       0.00568871       0.35481542
Cl       9.76337005       3.10033002       5.44507001      -1.30393100       0.43065182       0.52964942
Cl       0.43211901       7.71096002       0.24938455      -2.24670992      -3.13671876      -2.18174901
Cl       9.47926998       1.12688000       8.20110995       0.48237827       0.27653060       0.26650725
Cl       2.30290006       7.56071004       7.64358002      -0.03221317       0.43803599       0.41100791
Cl       7.87807996       6.98776997       4.63607002      -1.20235917       0.20988266      -0.08025297
Cl       7.73054000       1.72219004      10.56700000      -0.40733811      -0.01216459       0.77078898
Cl       1.22216006      10.87159995       2.73353998      -0.01333055      -0.56381706       1.15708331
Cl       6.04968003       7.99938000       7.73107005       0.22963688       0.05815332      -1.29304452
Cl       8.81718995       4.59061003       1.94986001       1.24037496       0.94156492       0.11355176
Cl      11.31829995       8.07307001       3.67102001       0.75194630      -1.55851346       0.03581738
72
Lattice="11.58604694 0.0 0.0 0.0 11.58604694 0.0 0.0 0.0 11.58604694" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.0400836 stress="-0.02001228794238064 0.0010177004138194451 0.001071017918825445 0.0010177004138194451 -0.024365066718117476 -0.00650769148958986 0.001071017918825445 -0.00650769148958986 -0.017017588489330177" free_energy=-255.0400836 pbc="T T T" config_type=melt 
Li       2.00823002       5.22252003       1.04433001      -0.32016373       0.49642923      -0.66366376
Li       0.56223506       2.46576997       0.70641403       0.52864525       0.75969947      -0.46865764
Li       2.19296004      11.16469995       2.30893000      -0.30377832      -1.10937682      -1.59859895
Li       0.45159005       8.68250004       5.26559000      -0.70849706      -0.55625858      -0.68678140
Li       3.23533004       0.04908742       6.37799997      -1.42226052      -0.19222392      -1.07156281
Li       8.05402002       9.51430997       1.19787004      -1.42705352       1.55913105       0.05617618
Li       8.31721006       3.84326000       8.79090999       0.74532889      -1.09884817      -0.17187926
Li       6.48529997       3.59431003       4.48935996       0.19799036       1.09669449       1.75036303
Li       6.41798006       0.19735302       3.96060997       0.40513621      -0.18095920      -0.57654551
Li       8.57843996       6.32663995       2.84102002       2.19831606       2.00615536      -0.59775427
Li      11.54339998       7.97009000       1.26653000       0.21632909       0.44862189       0.80350643
Li       4.40592003       9.71236997       0.55556995       0.26992936      -1.71658663       0.33160438
Li      10.83650003       5.10009004       5.67222005       1.17685630       0.87279265      -0.60340012
Li      10.54939999       5.47133004      10.91120003      -0.02488136      -0.66280460       0.05354535
Li       2.73926996       0.42838598       9.93417997      -0.65929123      -0.78045992       2.25045183
Li       6.99263003       7.12951002      10.52040000       0.56540091      -3.38166181      -0.32372889
Li      10.02979996       8.64087995       8.34390002       0.78096456      -0.63685273      -0.09474595
Li       7.63942005       6.81417999       6.75889995       0.33559887       1.28720479      -0.19302890
Li      10.97640004       0.51153301       3.75313005       0.28713745       0.27042290      -0.36252431
Li      11.24929999      11.55786319       7.65024999      -0.48632266       1.63306573      -0.45617859
Li       3.05790004       8.64443003       7.57277004       0.64977794      -0.01584742       1.43969334
Li       5.89884000       9.78174003       8.44554997       0.28744602      -0.17689927      -0.00872036
Li       6.67752002       0.72287699      10.47990004       0.13781691       0.45867933       1.24022823
Li       8.27050994       2.39692000       1.99439003       0.68471012       0.70322659       0.16631327
Li       2.58077006       7.84490995      10.67169998       0.17125187      -0.13807993       0.20453119
Li       7.86841004       0.70057199       7.00078000       2.61765335       0.65318843      -1.52186804
Li       6.02145003       4.64293997       1.10925995       0.21090872      -0.41100462      -0.33717672
Li      10.49079996      11.47549995      10.83570001      -0.05895655       0.80744241       0.37771775
Li       4.31195001       2.15206999       1.56963002       1.68781912      -1.47569062      -0.74020274
Li       3.28286006       6.16908002       5.51074994       0.51904307      -0.53232459       0.37732073
Li       4.88974003       5.28703995       9.60300000       1.10293753      -0.79031790      -0.06748309
Li       9.02577005       9.04674995       4.39103996       0.11167747       0.35647246       0.21446554
Li       5.12152006       2.41607996       7.89449000      -0.00104398       0.25848609      -0.19051164
Li       2.56868002       2.89207996       3.95139003       0.14114623       0.61814005       0.95172855
Li       5.09562999       8.95831006       4.65908002      -0.25698357       0.31137581       0.70659078
Li       1.88725003       4.33371996       8.27464002      -0.28609975      -0.06317179       0.14017754
Cl       8.24676005      11.37945799       5.29317001       1.54736204      -0.65499058      -1.76417849
Cl       2.45542004       8.51191995       1.39063000       0.74311470       0.30009509       0.39053091
Cl       1.04539001       0.66390100      11.48790003       0.18318470      -1.28988503      -0.57981306
Cl       2.39421002       8.10182996       5.75932001       0.26509483      -0.43893003      -1.80955498
Cl       5.20695001       7.92641003       6.83306004       0.41910073       0.04361593      -0.27437645
Cl       8.42150000       5.06199002      10.52010003       0.39355251       0.93870695       1.45868583
Cl       9.55872995       1.80653004       9.40924005       0.22472031      -0.27624622      -0.07058868
Cl       9.71130996       3.50935997       6.10121997      -1.20772516      -1.25011191       0.27692913
Cl       3.09112998       6.04952001       9.02134997      -0.85742876       1.03011721      -0.93930157
Cl       5.72421000       2.23040997       3.30913003      -0.55756536      -1.23615409      -1.01684287
Cl       6.83380004       8.95857005      10.77110004      -0.14111184       3.44551413       1.06515636
Cl       4.18066005       3.68418995       5.97189999       1.65719863      -0.41157169      -0.11361801
Cl       6.92481006       9.06816004       3.39195995       0.12118194      -0.46270491      -0.36816703
Cl      11.33719997      10.32559997       2.30963999      -0.40337651       0.09392823       0.79012234
Cl       9.34804996       8.08214005       0.94826604       0.49230391      -1.63239397      -0.12773483
Cl       6.71071995       0.76125299       8.38692006      -2.96317555      -0.15592683       2.25334223
Cl       0.99161604       3.93420004      10.61959996      -0.04527035      -0.33808556      -0.42080948
Cl       5.07967994      11.37449997       5.55649003       0.16505025      -0.96392436      -0.14031553
Cl       0.84213298      10.49259997       6.30146996       0.14980237       1.13628323      -0.29269020
Cl       5.83881002       3.16002004      10.76609996      -0.38885421      -0.78245276      -0.11155284
Cl       2.08331004       0.83575799       3.86888996      -0.34556330       0.29454602       1.44285593
Cl      11.17469998       6.43874005       3.05146005      -0.16666307      -0.19815085       0.29645540
Cl       7.01674997       5.26797997       7.90514998      -1.47098233      -0.63295910      -0.21996123
Cl       4.69824005       5.93793004       0.06725955      -0.03022289       1.25087208       0.84579874
Cl       2.83149003       3.35194997       1.85593005      -1.52713097       1.70082791       0.10903898
Cl       4.07488999       0.06588695       0.79863699       0.08390772       1.67461267       0.64292756
Cl       7.44350000       4.76882005       2.89379006      -0.89882936      -1.15623128      -0.11667720
Cl       4.09187003       9.68587998      10.03349997      -1.46427241      -0.25424562      -1.99813400
Cl       8.08093997       8.96034005       7.90147002      -0.89314541       0.08124290      -0.65496063
Cl       3.41361995       0.96715604       8.18620998       0.06287355       1.23144450      -0.52459528
Cl      11.11830003      10.29009997       9.16226006       0.30164527      -1.38355383       1.37438475
Cl       0.56484794       6.84124998      11.12380005       0.25226718       0.71593894      -0.56310575
Cl      10.72270002       2.73481003       2.12547004      -1.39300040      -0.17025182       1.25023101
Cl       1.63912000       4.90551999       6.04288005      -1.90768577      -0.32150285      -0.07961121
Cl       7.55743000       0.62364701       1.13894004       0.17586599      -1.29456909      -0.47870974
Cl      10.38709998       7.26877998       6.18047003      -0.65071242       0.68923638       0.13943866
72
Lattice="11.56594551 0.0 0.0 0.0 11.56594551 0.0 0.0 0.0 11.56594551" Properties=species:S:1:pos:R:3:forces:R:3 energy=-257.21189735 stress="-0.01897393486170136 -0.0026962610263548794 0.004126525386881991 -0.0026962610263548794 -0.01780865591819276 -0.0005306918219637025 0.004126525386881991 -0.0005306918219637025 -0.011740555969795362" free_energy=-257.21189735 pbc="T T T" config_type=melt 
Li       1.74738004       2.98462994       5.96114002       0.68772240      -0.26331966      -0.20870458
Li      10.07709997       4.62024004       1.96938004      -1.31531729       0.97919634      -0.59961424
Li       0.96314104       5.81960997       7.86421006      -0.34535642      -0.62568024      -0.17791293
Li       3.46660996       5.90933996       1.59974005       0.69170002       0.40463841       0.43891987
Li      11.21220003       1.41848006       8.32972005       1.56371337      -0.27352524      -1.98169866
Li       5.26890002       8.27238997       2.84905994      -1.14729742       0.12111242       0.56075550
Li       2.30872002      10.38560006       1.59964995      -0.52945563      -0.59835465      -0.73652534
Li       8.35312999       1.32320998       4.71715006       2.39625402       1.06599273      -0.63669487
Li       0.13174202       7.15318997       3.99885997       0.49622205      -0.21762410       0.09256716
Li       1.44164005       7.57508004      11.28170002       0.30983237       0.06054904      -1.06687512
Li       6.22171996      10.25290003       6.91219997      -0.17084661      -0.32835926      -0.54724454
Li       6.84727997       5.64657995       7.57363997       0.00168850      -0.15369923      -0.05130954
Li       1.25086996       4.17566996       0.25671102       0.40882491       0.07408101      -0.33974890
Li       3.94873003       1.92328003       1.83205005      -0.14454867       0.23916056      -0.32715903
Li       3.46436003       4.10123998       9.07356996       0.00016909       0.05881791       0.39600796
Li       9.15324995       8.20761004      10.50700004      -0.26014617       0.06917463      -0.05412822
Li       9.38615999       8.07402996       7.04878997       0.71644370      -0.20046350       0.16640077
Li       3.84485003       0.83330602       9.91139999      -1.21334776      -0.03643265      -0.52268787
Li       3.24549001      10.08740003       5.41113998      -0.20635928       0.01895091      -0.09201633
Li       6.27556001      10.69570006       0.19367800      -0.15948815      -0.23961686       0.36093175
Li       6.84534001       4.35297001       3.55205997       0.52799054      -0.43557702       0.04390140
Li      11.28330006      11.49205126      10.76820003       1.13105551       0.56940414      -0.86779405
Li       6.37254000       5.83208997       0.23605447      -0.08678314      -0.08380935      -0.37205122
Li       9.54354001       4.51228998       9.79074995       0.32613715      -0.60303891      -1.18779241
Li       6.09393997      11.34380001       3.28683006       0.49164405       0.09591738      -0.72697001
Li       0.07565447      10.74409996       5.75613005      -0.10308658       0.01131388      -0.06254725
Li       9.81433002       4.02935000       5.90106002      -0.11751457       0.02727976       0.14672223
Li       8.92479003       1.42053001       0.84805896       0.27956466       0.14798226      -0.17705779
Li       0.29772698       1.32298999       3.19016003      -0.77396491       1.23029663      -0.02315214
Li       3.77388000       6.94397995       5.79791006      -0.53578865      -0.03626208       0.01849213
Li       6.51121002       2.69872000      10.39870000       1.49120793       2.17865668      -0.95900379
Li       9.36147005       9.73059998       2.19067000      -0.22144536      -0.13020730       0.22187448
Li       4.80046997       2.03699004       6.08993006       1.89424211      -0.06534773       0.68084821
Li       1.60882996       9.52003003       8.42748005      -0.04181457      -0.26716967      -0.18259393
Li       5.09509000       8.01348998       9.19741995       0.26169418      -0.05364024       0.39128775
Li       8.45316998       7.38861005       3.77440001      -1.48898046       1.60906681      -0.16565170
Cl       5.86698003       6.26944996       3.34583997       0.80603430      -0.89016423       0.05074646
Cl       7.34267000       8.00063004       7.76275995      -0.97693882       0.88350329      -0.42986459
Cl       2.77840000       4.86679998       7.03812998       1.89533594       0.04939200      -0.52978907
Cl       4.36564999       2.08854999       8.10011001      -0.01554675      -0.14812134       0.77924681
Cl       8.76882001       0.20692494       2.66017996      -0.12918588       0.52312403       0.59078925
Cl       7.00569999       9.12808997       2.30245001       2.07955901       0.40024972      -0.51715648
Cl       8.99399001       5.51087001       7.51014998       1.60525736       0.18654439       0.12289890
Cl       9.33424000       5.65097004       3.67916995       1.41231889      -1.19548163       0.76720891
Cl      10.19119999       8.79323006       4.14701001       0.01747741       0.45178032       0.54019699
Cl       6.56734997       4.61380995       9.55977998      -0.08596079       0.36017704      -0.22208731
Cl       5.53759995       1.24760004      11.02410005       0.05509699      -2.81572100       1.85367751
Cl       6.79155004       8.73172999      10.85020004      -0.16576746      -0.06977284      -0.62403995
Cl       5.27788005       9.98365997       4.59546995      -1.09171530      -1.97842827       1.17254975
Cl       1.52091004      11.52670006       7.42703999       0.47858924       0.30707992      -0.36574255
Cl       1.17394995      11.06910002       3.23980998       0.25398235      -1.20643990       0.55553564
Cl       9.95183003      10.34259996       0.16001196      -0.74956166      -1.00104628       0.11587845
Cl       4.02976001       6.50850995      10.54080001      -0.26170338       1.46688383      -0.73577712
Cl       3.57376995       2.10612999       4.60806006      -1.83192440       0.24473841      -2.24759211
Cl      10.94900005       1.32444996       5.31109004      -0.81676398      -0.07885797      -0.42776006
Cl       9.08903004       5.81387997      11.30419995      -0.03942579       1.32779053       1.19185198
Cl       4.39644004       4.28625000       0.60293100       0.69871638      -1.65504197       1.32045358
Cl       2.34926999       2.19008997      11.02960000      -0.56195011      -0.45451010       0.00824081
Cl       7.57354004       3.46662002       5.59211002      -0.16800964       0.47510889      -0.14361895
Cl       0.15060596       3.50586003       7.25452998      -0.99355431       0.25236397       0.43186584
Cl       1.46947003       6.52278996       1.51705997      -1.73751205      -0.34836587       0.49041007
Cl       1.86483997       9.97679998      10.69490004       0.06500726      -0.12786818       0.53964053
Cl      11.49786940       3.27405998       1.76386001       1.41846497      -1.75304584       0.29585234
Cl       0.89038303       5.38725006       9.91100004      -0.37642754       0.26623500       0.92552085
Cl       8.23205998       3.26776996       1.87746998      -1.06172303       0.00466588      -0.38522343
Cl       4.08497005       9.00278996       7.36993001      -0.19271286      -0.01997819       0.43911459
Cl       6.61570996       0.69662800       5.19697002      -1.42282600      -0.15249342       1.86082715
Cl       1.21027002       7.35805999       6.47373000      -0.62750505       1.50921427      -1.03996112
Cl       3.26765997       7.61063006       3.62570000      -0.97123666       0.45349866       0.55271204
Cl       9.92572997       1.97865997       9.67811002      -1.51504402       0.22836980       2.10242545
Cl       4.24106000      11.04110002       1.81684002       1.07680854       0.67352986      -0.32820559
Cl      10.80950006       9.61612002       8.44713001      -0.88421809      -0.51837662      -0.16260032
72
Lattice="11.55397738 0.0 0.0 0.0 11.55397738 0.0 0.0 0.0 11.55397738" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.0824141 stress="-0.025155804214566157 0.00513554016029242 -1.2859961712405983e-05 0.00513554016029242 -0.015210559949271731 -0.0042472873537514055 -1.2859961712405983e-05 -0.0042472873537514055 -0.018963904425736082" free_energy=-255.0824141 pbc="T T T" config_type=melt 
Li       5.49552005      11.44080005       8.42780998      -1.61573067      -0.51050491      -0.38867236
Li       2.09494996       5.95356997      10.81529995       0.46610408      -1.23682572       0.89234132
Li       5.66507998      11.38520000       0.58776700      -1.49378240      -0.89223305      -2.34208679
Li       6.82884997       6.75095998       1.69409997      -0.24095831       0.22695664       0.40876749
Li      11.18250002       3.89460002       1.18433005      -0.64054705       0.11477982      -0.04770229
Li       8.31246004       4.43863002      11.13950005       0.58599208      -0.45799217       0.47583705
Li       2.51872998       4.32425004       2.71475002      -2.75242904      -0.11958309      -1.50227457
Li      11.15620005       1.76009005       3.55307000      -0.23146114      -0.54374328      -0.24020245
Li       7.90374999      10.04090004       9.87457996      -0.05090671       0.81763654       1.09561426
Li       2.20325995       8.90256996       1.66947001       0.72126034       1.54665287       0.66501195
Li      10.33430001       7.56532001      10.72890000       0.73747291      -0.92152362      -0.89660224
Li       7.82985006       1.05180004       5.99905001       0.09285287      -0.46789551      -0.10720312
Li       2.29162997       1.00790995       1.29904996       0.60412411       0.57615278      -0.28049980
Li       3.50585005       2.67464998       5.68332995       0.09616164      -0.27967466      -0.25580595
Li       6.31409000       4.28309003       4.46525998       0.34101096       0.08556365       0.37819306
Li       6.10285996       8.47331000       6.57230996       0.15667862       0.23711566      -0.52639905
Li       7.82969003       3.81495996       7.68420998       0.50768041       0.57457721       0.27176295
Li       2.24425000       1.56525995       9.97752001       1.92905886      -0.01497493       0.12332503
Li      11.44189999      10.65790000       0.12948797      -0.40071795       1.17475879       0.26837730
Li      11.32039998      11.46695999       8.24831998      -0.15622116       0.01580443      -0.42702362
Li       8.41537998       9.96483998       2.57008995      -0.06293060      -0.51190672       0.10393104
Li      10.97949999       7.21099003       2.31630002       2.51494129      -4.31984927      -1.49509979
Li       4.19719002       4.05241002       8.49371999       1.52484381       1.18181566      -0.83216851
Li       5.87277994      10.99410006       3.82393000      -0.19551001      -0.54885362       0.65078261
Li       4.92849995       3.46019000       0.19599104      -0.32758710       0.27235592      -0.62884813
Li      11.54339994       3.69321997       9.72921001       0.07715086       0.15914806      -0.52967838
Li       9.65904999       5.25298000       4.59584002      -0.65211549       0.00357695       0.27107920
Li       2.74008998       9.10738997       9.59215003      -1.12417138       0.32401768      -0.27348590
Li       9.17486000       7.07404998       7.52025996      -0.13266356       0.06445092      -0.07850346
Li       1.75791004       6.41403006       7.50517000      -0.64924886      -0.01484918       0.58244819
Li       5.53167996       7.43004003      10.13389997       0.35436515      -0.12524635       0.48346660
Li      11.42719998       2.80745001       6.20454004       0.87641499      -1.08977305      -1.08618090
Li      10.94669998       9.00254999       4.81026994       0.46612745       0.80991614      -0.49230005
Li       3.35575995       7.31712001       4.42569997       0.31005299       0.47017676       0.04728906
Li       2.40378997      10.38680002       6.14463001       0.72313188      -0.52635064      -1.73765070
Li       8.00604994       2.35851005       2.18747005      -0.89007775      -0.18956841       0.05629291
Cl       1.87712005      10.57370004       0.25869702       2.88262168      -1.04218751      -3.04512772
Cl       5.90272000       3.39340997       6.83967003      -0.95270127      -0.28363793      -0.90071603
Cl       4.10734006       4.31171998       3.73581001       2.37884470       0.21394856       1.71871473
Cl      10.94180006       0.75299905       6.20176998      -1.08709976      -1.19221699      -0.10789275
Cl      10.35910005       5.35925995      10.73560003      -0.22505365      -0.20119485       0.38557913
Cl       4.14674998       5.92430005       0.05278954       0.52596347      -0.04440063       0.34184917
Cl       7.88106006       4.80146004       2.79871000      -0.95741583       2.18499515      -1.87476719
Cl       1.66492999       8.84203000       4.00674004       0.42300149       0.30809886       0.66840627
Cl       0.94592297       0.02074216       2.44240995      -2.57974130       0.94643266       2.86845056
Cl       7.17408004       0.68688696       9.09339995       2.08138237       0.33265962       0.68225480
Cl       4.82181999       0.02322257       6.27356997      -0.97220543       0.36750812      -0.56774771
Cl       1.63985000       3.21687999       0.78966698       0.53999153       0.13031976      -0.34162307
Cl       7.87320000       5.87549004       6.17519005       0.02584806      -0.06631326      -0.22846937
Cl       1.28196001       2.56484006       4.63747998       2.45035804       0.06095218       0.45202947
Cl       4.33076001       2.37347996       9.48462005       0.34082803      -2.50172494       1.53854491
Cl       4.72332996       9.56573002       9.94604998       0.82178480       0.53910141      -0.10897814
Cl      10.01739995       9.22870997       0.19133202      -0.87089046       1.15877300      -0.71663184
Cl      11.30489997       4.57305997       3.31261001      -0.28463152       1.14537297      -0.46361312
Cl       9.45053004       2.35641000       0.74829600       0.70075202       0.12701898      -0.99748786
Cl       2.24039998       4.32605997       8.88386996      -1.93254968       1.27472960      -0.43586443
Cl      10.59460003       3.93145005       7.48501005      -1.67504860       1.95869355       1.74060207
Cl      10.02080005       8.52524999       2.93518998      -3.49397918       3.44742844       2.77510072
Cl       7.70790996       8.63571999       8.41910001      -0.14979045      -1.20869683      -0.69905580
Cl      10.90989999       7.98332997       6.55665004       0.34554199      -0.81160632       1.18116203
Cl       1.29557001       7.18898998       1.45814002       0.00397495      -2.51066092      -0.75982882
Cl       5.51900004       8.37410998       3.76101005      -0.60422800      -0.53839495      -0.14551575
Cl       0.31222267       1.52819005       9.65174002      -2.11753172      -0.33292907       0.29785576
Cl       7.43711997      10.23349999       5.38118004       1.07270882       0.47883835      -0.20075947
Cl       6.61860998       4.88740002       9.95929003       0.15020909       0.09002097      -0.41805357
Cl       7.01914998      11.44862741       1.91834996       2.26728253       0.85152107       1.96485425
Cl       1.21677004       7.48181999       9.90543001      -0.92744766       1.29082822      -1.59199908
Cl       7.02430005       8.66179997       0.45958198      -0.31438074      -0.75258258      -0.15499578
Cl       3.19421004       7.86649003       6.79677000       0.94834776      -0.25998258      -0.10903913
Cl       8.46013997       2.62321006       4.20097002       0.50139883      -1.95956522       2.49046989
Cl       4.56422002       1.47066996       1.28252003      -0.70865484       0.89093244       0.35130335
Cl       1.80276998      10.72210002       7.99522005      -0.07585620       0.02381236       1.80485761
72
Lattice="11.53442539 0.0 0.0 0.0 11.53442539 0.0 0.0 0.0 11.53442539" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.66880206 stress="-0.019272261378138318 -0.003393440173459308 -0.0011518054227245907 -0.003393440173459308 -0.02311178043623591 0.005601677476431193 -0.0011518054227245907 0.005601677476431193 -0.016223904557426932" free_energy=-253.66880206 pbc="T T T" config_type=melt 
Li       5.36077000      10.91980004       1.49687002       0.25276450       0.74510110      -0.23910680
Li       4.85449996       6.95500002       5.52889001       0.86595556       0.33120298       0.19364278
Li       3.28359000       9.57722003       3.63508996      -0.05100433      -0.24896619      -0.51420555
Li      11.49289996       9.28505995       8.55344000      -0.26743559       0.75148980       2.37202256
Li       2.11474001      10.94439997       6.34096004       1.64596203      -0.77566025      -0.07840949
Li       8.27629002       9.76702996      10.99320005      -0.11645603       0.29726246      -0.44855832
Li       0.19500503       3.29037005      11.35930005       0.17173075      -0.12165360       0.33594997
Li       1.95396996       7.06354000      10.68270000      -0.47946692      -1.21305949      -0.59866835
Li      10.79910000       1.52853998       8.57260999       0.27364453      -0.46959732       0.13684432
Li       0.31556596      10.38969999      11.49098225      -0.33344955       0.34931371       0.52006682
Li       3.34565997       1.26301001      10.08190005       1.22392546      -0.38263196      -0.26482633
Li       9.42577994       0.44781703       1.27776000       0.12547342       0.66645668      -0.40323019
Li       9.26588005       6.39815995       0.97701704      -3.67649177       2.98239850       1.36089943
Li       6.96071003       4.56958996       3.43353995       0.23309328      -0.98960458       1.06262000
Li       5.92396000       7.14738005       0.76715198      -0.89172385       1.15476420      -1.05533772
Li       1.60267000       7.28735999       6.80191997       0.69758777       0.20960829      -0.87277167
Li       4.83014998       3.61227995       0.57678402       0.15803413       0.91048715       0.33184928
Li       9.84561999      10.60390004       5.81981002      -0.10962977       0.05289453       0.05786446
Li       8.03188997       9.11846006       3.15285998      -0.77992427       0.22661148      -0.72587261
Li       2.99724997       1.84921996       2.69808999       0.21224440       0.45078708      -0.09220546
Li       3.95407000       2.72249003       6.37440999       1.00142963       2.68928037      -1.31520290
Li       3.80366997       9.40248006       9.23383995       0.34762801      -0.21493073      -0.15961407
Li       5.63682997       5.36907005       8.77182001       0.22288524      -1.15199552      -0.24373006
Li       8.09627997       3.39895998       6.31410998       1.31065174      -0.06813841      -0.55426143
Li       6.94058995       8.54626997       8.21653997      -1.27653886       0.12141476       0.40535684
Li       8.40609994       3.18196998      10.44899997       0.19102974       3.12391665      -0.85425318
Li       2.68830996       5.62995003       2.90892003      -0.43558042      -0.39697112      -0.44616823
Li       9.74164003       6.23657003       8.56243005       0.82007230      -1.46462543       0.83911808
Li       7.08995003       1.38608002       3.97778005      -1.63259502      -0.95272964       0.15842786
Li      11.52259995       8.07076006       2.74479000      -1.04685774       0.48169379      -0.43866983
Li       5.30015002      10.98240002       5.99571001      -0.78303352       0.89281424      -0.37788890
Li       9.45462004       7.68905005       5.87763002      -0.20167241      -0.65596825      -0.33359349
Li       0.05747466       4.09418997       3.47357998      -0.12080695      -0.15795676      -0.08793292
Li       0.53844001       4.22909995       6.75059005      -0.12692002      -0.12379834      -0.56251450
Li       0.46847899       0.81604203       3.74459999       0.03481530       0.03704746       0.03879203
Li       6.56874003       1.15062998       9.10218994       0.43621992       0.53888109      -0.04224848
Cl       8.02950003       1.51515001      11.10500000       0.61140673      -4.14589901       1.78535024
Cl       3.40994998       0.06511160       4.35114998       0.30374607      -0.13809861      -1.47575377
Cl       7.33876005      11.15003536       6.23215004       1.17826507       0.18956940       0.11846861
Cl       9.83689997       8.93816003       4.20149000       0.15997378       0.57245260      -0.39821315
Cl       8.71141999       2.33534004       3.53260002       0.61924188       0.91910842      -1.54480052
Cl       0.53888801       6.23138000       8.21668000      -0.49407489      -1.62542480       1.40111415
Cl       5.04653995       7.28381004       9.44815996      -1.45940741       0.62900057      -0.62902093
Cl       3.22944003       5.68169001       6.15630001      -0.20396736      -0.01533724      -0.11954190
Cl       8.82173004       7.84300994       7.90848995       0.21988252       1.04700316      -0.26070235
Cl       5.10878998      11.21439999       9.79006997      -0.06161863      -1.12286236      -0.08233228
Cl       3.38194001       1.04216002       6.99543003      -0.14085922      -1.61936213       2.66534687
Cl       1.71321005       9.05043002      10.30730002      -0.20148952       1.40290969      -0.82897041
Cl      11.39717738       8.71655004       6.71731000       1.13685271      -0.04241753      -2.11078370
Cl       1.74387005       3.59600003       1.38542002       0.43084782       0.53380603       0.77480306
Cl       9.35258006       8.66001002       0.89933696       1.96850501       0.64077778       1.88466270
Cl       9.08018999       2.96982998       8.37803000       0.69775853       0.37779229       0.09786425
Cl       4.18734003       9.33953001       6.61683005      -0.83525505      -1.55827861       0.36471583
Cl       4.23491999       1.66361998       0.51282101      -0.88942281      -2.21710166       2.01248602
Cl       7.30347001       6.76597005       5.45227005      -0.83919388      -0.34327759      -0.47015854
Cl       6.99378003       5.90876005       1.90966000       0.83921500      -0.49695678      -0.09510492
Cl       5.63547998       9.07545003       2.69622003      -0.88933878      -0.72737096       0.17592192
Cl       1.49067004       2.01709002       9.91539000      -2.00124050       0.51598378      -0.91137825
Cl       1.65873999       2.93104998       4.62598996       0.39864517      -0.06105891       0.01270573
Cl       3.14079001       6.64954998       0.73460102       1.22385618      -0.36003001       1.40063026
Cl       5.90363000       3.05050002      10.27720001      -0.38525508       2.52757773      -1.44483552
Cl      10.49970000       5.27095996       0.38290001       3.11408017      -3.33997491      -2.09489209
Cl       0.33467458       0.17568995       6.06041998      -2.36052973       1.17562263      -0.19915726
Cl       7.63783997       7.59631004      10.58090005      -0.54484209      -0.46146143      -0.17270678
Cl       0.57335103       6.33033995       3.59900002       0.51550196      -0.97264769       0.73616861
Cl       5.26127000       3.04608003       3.66604006      -0.24849074       0.02156223      -0.13579040
Cl       0.00757466       0.86533705       1.27085999       0.06813686       0.07591527       0.08347628
Cl       1.18292995       9.72266002       2.49292002       1.10628712       0.52742710      -0.06589459
Cl       6.20657003       3.51433999       7.02434995      -1.66549621       0.24765589       0.31046446
Cl      10.17810004       3.52134000       5.36510002       1.49137197       1.67686225       1.80269057
Cl       9.99335003      10.89540000       9.58832999       0.56866001      -0.28099127      -0.16419593
Cl       7.67832995      11.39039998       2.20325000      -1.32731340      -1.17761405       0.47317980
72
Lattice="11.51768395 0.0 0.0 0.0 11.51768395 0.0 0.0 0.0 11.51768395" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.90306658 stress="-0.028261115817175705 0.005903174342462606 0.0014966623709704802 0.005903174342462606 -0.02729720160824856 0.0007155801458565385 0.0014966623709704802 0.0007155801458565385 -0.017176983356715324" free_energy=-254.90306658 pbc="T T T" config_type=melt 
Li       6.66335000       1.00799004       4.65289001      -0.01300936       0.38608463      -0.40126359
Li       1.21942995      10.47909995       9.22737004       0.34975875      -0.71122540       0.91403594
Li       4.66201005       8.79577005      10.04470002      -0.31945570       0.65947900       0.41572864
Li       3.03825998       3.83632998      11.43450001      -0.00544601      -0.92781731      -0.43651349
Li       2.13100995      10.02500006       1.19015995      -0.15944527      -0.09001745      -0.50190136
Li       2.25377003       5.62303005       6.65737002      -0.16715501      -0.13892515      -0.19730508
Li       6.89610005       9.16748004       2.84292997      -3.62594267      -0.01199061      -0.04071563
Li       6.56867003       3.57874999       2.40238996       0.93450085       0.52624844      -1.58319131
Li       7.78235001       6.10769995      11.10330003       0.16961461       0.34449838       0.76331842
Li      10.50849999       4.37782998       1.43507002       0.90472610       1.30827948      -1.77860249
Li       9.04189997       9.76402996       5.91400004       0.72636661       0.68701572      -2.03440723
Li      11.45270003       2.80647996       4.74429999      -0.62946680       0.18165489      -0.31461357
Li       8.14160995       9.79131996      10.49779995       0.29106997      -0.34079672      -0.23256971
Li       4.76156004       5.03802995       8.66414999      -0.64330515       0.77069884       0.52864138
Li       7.20832004       6.99036999       7.76883999       0.81196687       1.01234077      -0.16662390
Li       2.04331004       4.94308001       3.42442996       1.82351115      -0.09680605      -0.73686105
Li      10.03040001       1.50347999       7.40060996      -0.25901901       0.30775812      -0.25631615
Li       4.70776002       6.71302001       1.21855000      -0.08791907      -0.27748763       0.02240837
Li       6.54755996       0.63892002       0.25951611       0.19586541       0.01330940      -0.72515482
Li       6.90695005      11.50314518       8.09177005       0.01133979       0.11379160      -0.10118140
Li      10.40620004       1.24332995      10.84120004       0.20139432       0.46208855      -0.00152490
Li       2.11688005       8.09361000       3.61288000      -0.56658747       0.59096531       0.24285616
Li       9.89341006       5.85220996       6.09842004       2.44172774       0.85184144      -0.33959803
Li      10.34039997      11.32079997       3.09969001      -1.19546100       0.14338554      -1.46990710
Li      10.52280000       4.99101995       8.52799001       0.21510229      -0.31148037       0.94338510
Li       3.77916000       2.18225005       5.74912001       0.22266792      -0.04516073       0.17455373
Li       6.75733004       3.18250999       9.62537006       1.06148828      -0.01912629       0.74823532
Li      10.59939997       8.11084000       2.23232998      -0.33943170      -0.47220520      -0.09623918
Li       1.80535999       6.63976005      10.28169998       0.24465364      -0.04242118       0.57003443
Li       5.86373997       6.21172998       4.39753005      -0.17333457      -0.02823964       0.07794399
Li       2.16322998       1.69333001       2.21417004      -1.26730654       3.44440369      -1.13747550
Li       1.07733997      10.82480001       5.90864996      -1.08976411       1.48285911      -0.39107429
Li       4.35170004       9.19208999       6.89533999      -0.01588567       0.01670865      -0.44951199
Li       7.08306004       3.90728997       6.03469004      -0.24761283      -0.59817913       0.50756408
Li       2.54099999       1.82307994       8.83046996       0.11887030       0.05122203      -0.52878015
Li       4.49777997      10.66050002       3.45090002       0.18067874      -1.01972366       1.20204688
Cl       2.09480998       3.28085005       4.71399996       0.78979445      -1.58205221       0.75513698
Cl       3.60823999       6.66646000       3.91884002       1.32811836      -1.47373405       0.88582230
Cl       7.79047999       5.48907996       9.04737997       1.21105704      -2.01562701      -0.25214173
Cl       9.82606006       3.21131998       2.81803000      -0.79197296      -1.72452165       1.72024540
Cl       6.32194005      10.46649995       5.12425997      -0.11845389      -1.01865427      -0.49702852
Cl      10.82499996       0.48259199       4.90472002      -0.16042150       0.89190796       1.55768114
Cl       2.38030999       9.43738003       5.66960999       0.89698143      -3.09576097      -0.78830524
Cl       5.25011002       6.83094002       7.27684001      -2.09499784       0.25399121      -1.08976688
Cl       8.31849002       0.85153497      10.00569999       1.50072725       0.46412263      -0.49465590
Cl       9.82746003       6.55744996       0.92250901       0.06600803      -0.01096341      -0.50005037
Cl       5.68737002      11.26230004       1.90828005       1.79917615       0.16210090       0.07342060
Cl       1.08202997       6.61694997       8.31681005      -1.60547136       0.65299899      -1.03416100
Cl       3.77958005       5.68632998      10.93009997       1.27211752       1.21491098      -0.00244852
Cl       7.81939998       1.79450998       6.34353006       0.71730980      -0.76230896       0.53582917
Cl       6.64996000       6.41547999       2.25977996       0.26565551      -0.32443443      -0.12774583
Cl       5.52544003       3.22503006       7.96883997      -0.28479293      -0.81186113      -1.18740001
Cl       8.73701006       9.24464000       2.78539995       2.60981656       0.62137000       0.14277784
Cl       6.31368002       2.77488004       0.30886904      -0.31763021       1.00161696       0.15321794
Cl       2.47165996       1.78060998      10.94420004       0.11991720      -0.88044517       0.77574160
Cl       0.41580797       0.20781611       7.74939999      -0.31112756       0.85330139       0.61406314
Cl       6.21634005      10.59530002      10.12990001      -2.46938864       0.82374335      -0.30643771
Cl       0.12021698       9.76159995       3.06316997       2.40633469      -1.33617260      -0.25186982
Cl       2.55530000       8.82424995      10.33160000      -0.51479285       0.45649675      -0.32565937
Cl       3.86096999       0.05704674       6.69187999       0.45822149       1.72447770       1.06669908
Cl      10.42320002       3.91473005       6.51540995       0.62811873      -1.35702251       0.92439392
Cl       0.69193995       5.89583999       4.38542001      -2.89010794       2.28013873       1.47503169
Cl       2.87462998       0.04619605       2.61815004      -0.46934701      -1.57114891       0.99725730
Cl       6.43631998       7.83379006      10.02789998       1.30313609      -1.27788486       1.16992630
Cl       3.96648994       8.64389004       1.76980996      -0.45038820       0.77654010      -0.11080384
Cl       2.52143997       4.07266998       8.74798998      -0.11776679      -0.59448567      -1.22745856
Cl      10.02139997       3.71211003      10.63149999       0.57454248      -0.40136339      -0.21353851
Cl       1.70939004       4.31573998       1.48339995      -0.88138200      -0.40591088      -0.17475525
Cl       8.06153003       5.74954997       5.60234003      -2.50923876       1.13170437      -1.01170268
Cl       8.02519001       9.33682996       7.50979000      -0.26443269      -0.52001683       1.81625028
Cl       0.22851603      10.88699999      11.23856993      -0.78463858       0.07536757       0.29117475
Cl       5.75705996       3.33874000       4.20019999      -1.01043652      -0.44345171       1.45183981
72
Lattice="11.50809134 0.0 0.0 0.0 11.50809134 0.0 0.0 0.0 11.50809134" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.00536722 stress="-0.02941121087291302 -0.00042702018062052604 -0.004989586694885318 -0.00042702018062052604 -0.036964819010046564 -0.0013351259169740596 -0.004989586694885318 -0.0013351259169740596 -0.019210685276777696" free_energy=-253.00536722 pbc="T T T" config_type=melt 
Li       8.62606997       1.89011999       1.83045998       0.63788246       0.51940340       0.50069922
Li       7.63424005       9.87528997       1.05186003       0.64023901      -1.44909816      -0.84786576
Li       7.09497998       7.19206995       6.78437004       0.07463842      -4.33225255      -0.22153789
Li       2.10833999       5.47672000       0.69661895      -0.33453824      -0.34466160      -0.08464607
Li       0.52915102       1.24840005       0.00756473      -0.20518662       0.50601575       0.31255840
Li       3.47920995       8.03662000       6.59952005       1.12055360      -0.37897275       0.74358024
Li       6.82061005       7.89697001       3.57265002      -0.36836494      -0.83590282      -0.10966777
Li       3.28306996       8.07798998       3.13694999      -0.03888512       0.23001458       0.30546385
Li       5.71790002       5.39713004       1.05669999      -0.05162206      -0.88397411      -0.20886878
Li       9.90978996       3.79240001      11.36790000       2.37282810      -0.25080321       0.48985224
Li       9.32623997      10.63590000       4.25975994       0.18686992      -0.61272358       0.36267280
Li       7.50092997       1.61807999       6.56278001       0.35457882      -0.36801659       0.21954489
Li       6.83887995       9.60407003       8.59064000      -0.44852812      -0.13669420       2.49455461
Li       4.42912003       1.20611000       7.36431995       0.53015001      -0.69670673      -0.96712732
Li       4.53324996       5.91581997       9.20813001      -0.56126940       0.02993484      -0.37021603
Li       1.52189997      10.14470002       5.37151004       0.21568049      -0.25451081      -0.06609487
Li       6.91725005       3.03522998       9.94236994       0.46962325       0.58940276      -0.13040224
Li       5.23533997       8.36086002       0.34335104      -0.22962456      -0.29007232       0.28492108
Li       5.36194003       0.57777696      11.08989996       0.04670190      -0.13879330       0.82741963
Li       3.02113003      10.19290005       9.21765997      -0.23403118       0.24918795       0.06706737
Li       8.29299001       6.82567004      10.18560001      -0.59618996      -1.81269962      -0.67868419
Li       5.01964002       4.81763999       4.43637002      -0.81520792       0.11991921      -0.27303819
Li       9.18372998       6.35099994       2.18061000      -0.38670299      -0.38112282      -0.21547814
Li       0.66419202       1.72286001       5.99323997      -1.67433387       1.24394735       1.09113763
Li       9.62595002       4.73713997       8.25406999       0.72903668       1.40625973       0.23350028
Li       2.39737997       2.39674001       3.15072000      -0.30154761      -0.14866666      -0.28491470
Li       9.13710000       3.62971001       4.85975005      -0.37807950      -0.10165854       1.39778572
Li      10.84519996       8.22623998       0.44115002       0.30313429       2.95766494       0.31669956
Li       3.43880999       2.43432003      10.03289995       0.69758393       0.57928727       0.68193707
Li       1.69192005       4.22327998       8.12887001      -0.32249552      -1.32003278      -0.16259831
Li       9.90368998       1.15197997       9.09776005      -0.49856551      -0.00598324      -0.55434716
Li      10.92759997       8.65357005       7.61165001      -0.42187698      -0.53336731       0.47590038
Li       6.13833997      10.32900004       5.43964001      -0.87443722      -0.25034023      -0.50877205
Li       0.23251799       6.10549001       4.61094995       0.18823749       0.40878012       0.11046856
Li       5.39783998       0.54334498       2.77396005       2.08472694       0.72504029       1.75112638
Li       2.47206001      10.59950002       0.97193300      -1.47905678      -0.65998863      -1.42922947
Cl      11.31569999       3.48761005       8.91185005       0.07158471      -0.41163186       0.59066920
Cl       2.36705995       6.08823006       8.13294998       1.16695462       1.60684703       0.38978762
Cl       3.94798998       6.46045996       1.71288998      -1.11928629       0.59274541       0.07000945
Cl       4.04749999      11.48379995       1.59289005      -0.28328899       1.19040569       0.78237788
Cl       7.00432004       9.00071001       6.78926995       0.96483690       3.72940141      -1.92647230
Cl       5.66212997       1.52678999       9.17518004      -2.20920751       1.73360708       0.12689415
Cl       2.06487002       0.81430898       5.02431000       1.26214712      -0.24054324      -1.77947811
Cl       6.11069995       9.54810998       2.49138002      -0.65156301       0.79424202       0.78570713
Cl       8.18987003       4.62616998      10.96909999      -2.01718312       0.37285365      -0.52842266
Cl       8.89375001       7.88067996       3.94376996       1.50414490       0.23739398      -0.06241321
Cl       6.85578994       5.14721999       5.18447996       1.11280935       0.26380024       0.71396934
Cl       8.47142999       3.23818000       7.61807003      -1.22132500      -1.17813711      -0.34651722
Cl       9.12940005       3.87198997       2.87594004      -0.14339159       1.41906652      -2.51076833
Cl       9.88679000       1.57837995      11.21290005      -0.18515574      -0.39728211       0.60230824
Cl       6.89343003       7.17131004       1.11422998       1.18068887      -1.22602040       0.44242326
Cl       7.64208995      11.46590003       8.92490000       3.26997196      -0.48539813      -0.48360920
Cl       3.82900000      10.16190002       6.43079003      -0.57547373       1.17782209       1.59764684
Cl       9.00752004       7.03115001       7.95108002       1.59691653      -0.68228671      -0.17274241
Cl       4.75559998      10.07550003      10.64660000       0.35305047      -1.01068177      -1.28326303
Cl       2.46022002       0.79832596      10.88560004       0.24576198       1.04774716      -0.25880514
Cl       1.41819998       9.10972996       1.96669000      -0.59224344      -0.92170631       1.44990896
Cl      11.21539995       4.22352004       5.50852998       0.54615720      -0.33375730       0.33166931
Cl       5.05168004       8.06044003       4.85318998      -0.69361187      -1.38523083      -0.51111883
Cl       0.86609700       3.42083999       1.42666004       0.38880515      -0.06233377       0.07680610
Cl       1.19287995       9.87382004      10.52489997      -1.19514738      -1.38461428      -1.15131881
Cl      11.02230005       6.44238995      11.38390005       0.81798863      -3.30946922      -0.09691606
Cl       9.12271995       1.27816999       4.33354004       0.46281794      -0.46121849       0.28624644
Cl       6.18886003       7.27004003       9.29987999      -0.68952848      -0.09522525      -0.02509990
Cl      10.86760000      10.33629996       6.24036000       0.06288258       0.29787982      -0.14084533
Cl       7.34605005       0.34912902       1.23715998      -0.56831672       1.83069498      -0.46586893
Cl       4.34588995       4.37667996      10.70929999       0.19121006      -0.17470693       0.45904980
Cl       8.83535002       8.54787997      10.84380000       0.93745354       3.58136262       1.01774146
Cl       4.32844000       3.43178004       2.93875995       0.24818431      -0.34329713      -0.15146875
Cl       6.09912005       0.94707196       5.07709002      -0.94390963       0.32931790       0.04176022
Cl       2.75442000       2.10075995       8.14857003      -1.65472784       0.70181837      -1.81361708
Cl       1.94149004       7.56159004       5.40184997      -2.07292768      -0.18128079      -1.60963108
72
Lattice="11.48293221 0.0 0.0 0.0 11.48293221 0.0 0.0 0.0 11.48293221" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.56497049 stress="-0.02890889876228058 0.004273022512699993 0.002063017433339894 0.004273022512699993 -0.02590881346731483 0.002216907320883558 0.002063017433339894 0.002216907320883558 -0.021531222995112127" free_energy=-254.56497049 pbc="T T T" config_type=melt 
Li      11.38510004      10.76740004      11.40209995      -1.21952480       0.34141205       0.30826090
Li       3.73789998       2.92755003       5.25643003      -0.12195880      -0.14179336       0.16816607
Li       8.15247997       1.62895005      11.14740001      -1.06943520      -1.01765778       0.14273249
Li       2.35450004       4.65229999       7.92195000      -0.79944391       0.13820401       0.07529401
Li       2.04631995       1.21569000       1.52374997       0.07123222       0.65018593      -0.15246804
Li       0.54232798       5.85196005       4.24419004       0.93402546       0.80245234      -0.02039592
Li       5.30734995      10.98300002       1.99302996       0.20820479      -0.62747869      -0.49244905
Li       3.62509005       6.88011998       5.84187998      -0.35107796      -0.10890451      -0.67028172
Li       4.45016996      10.42780002       6.08960002       0.11317437      -0.04550641      -0.42203737
Li      10.32300000       3.67205995       1.58635997      -0.33112529      -0.30178143       0.49305482
Li       9.94092002      10.83260002       7.66756998      -0.76107974      -0.06136539       0.00574796
Li       0.63612700       7.28701998      10.88060005      -0.24393686       0.18413130      -0.15156372
Li       8.92581997       4.78917999       4.81819001      -1.80994414       0.00321487       1.32192601
Li       2.06542996       1.14620999       7.39702004       0.09068139       0.13905443       1.36561469
Li      10.91309997       8.77112994       3.08537994      -0.75461638      -3.38932894      -1.30721186
Li       7.52231996       1.26747997       5.82503004       0.84427932       2.92055088      -0.40694637
Li       9.65110000       0.67281405       2.98646999      -0.49028670       0.32079058      -0.32789444
Li       6.95616995      10.61250000       9.32804997      -0.73358260      -0.34010212       0.24053275
Li       6.44779998       5.40356004       7.58610994       0.07232146      -0.23389933      -0.36263575
Li       0.43857796       2.70551995      10.68539997      -0.49582752      -0.25536176       1.57687103
Li       6.30164005       7.16854999       3.97292000       0.31740946       0.24003533       0.22426414
Li       5.42968004       6.90665003      10.80440000      -0.40291305       0.15891578       0.03030436
Li       3.07214001       5.12122999       2.66819996      -1.59733763       1.35624587       0.42645407
Li       9.38685005       7.27126000       8.44847999       0.84852764       0.31430457       0.05912604
Li       8.37429003       5.31526996       0.14336602       0.14754744      -0.64621954      -0.30319080
Li       3.31505995       3.98146997       0.09522325      -0.79435882       0.83059559      -1.38205312
Li      11.28489997       2.99210994       5.74588003      -0.51006442      -0.46951880       0.11436620
Li       8.04377001       8.87986998       0.80570694       0.34403431       0.06650149      -0.00380779
Li       2.85902000       8.81000001       1.41011005       0.11824601       0.01794266      -0.54505514
Li       3.71222001      11.03039996      10.19810004      -0.14167650       0.04790724       1.51457626
Li       6.43910005       2.67518997       3.10969999       0.10431501       1.08038145      -0.26907311
Li       5.17226003       2.47709997       9.38660994      -1.27418577       4.68785969      -2.95320877
Li       1.67849006      10.47930005       4.11715000      -0.21022806      -1.01432372      -1.31943993
Li       7.54365995       9.55768003       6.02104002       1.32290956      -3.18816097      -0.93136327
Li       9.57321000       3.51059005       8.63214995      -1.17488153      -0.18378733       0.35307908
Li       1.56258995       9.36064003       8.41840998       0.41741433      -0.47949389       0.21983047
Cl       4.07436999       3.66328997       1.87793998       2.27068631      -2.15626169       0.50477404
Cl       5.04143004       9.15321004       4.01076006      -0.21204767      -0.77185090       0.17107753
Cl       8.34955005      10.93839997       0.60728796       0.17386856       0.69892616       0.26431968
Cl       6.07041996       4.85310995       9.69741996      -0.41143792      -0.35811906       0.53985019
Cl       0.75476395       4.51754997       1.74834004       2.93529783       0.15275008      -2.01204131
Cl      10.25780003       8.23300001       0.36935104       0.05230016      -0.30013879       0.17356200
Cl       0.08420101       3.23781001       8.81083999       1.80116078       0.58147687      -2.84512611
Cl       2.44488001       2.10448996      10.90189997       0.94735800      -0.67906044      -0.52280644
Cl       8.68386999       7.62203005       4.77895995      -0.52980298       0.07497158      -0.30772183
Cl      10.91990004      10.52470000       3.65127997       0.02909181       2.76621197       1.37971139
Cl      10.42199999       4.90273999       3.55902001      -1.93463646      -0.15210831       0.21758004
Cl       9.36743000       2.03977996       5.23573997       1.92426112      -0.51298111      -0.33032636
Cl       8.54715994       0.43530005       9.07386000       0.94515609       1.68056069      -0.56555178
Cl       1.44144995       4.21564002       5.40722999       0.16630792      -0.01753154       0.91546731
Cl       4.05687999       5.00903003       4.62025997       1.11244179       1.50676534       0.03268457
Cl       1.38570996       7.76271997       3.01871004       0.69737179      -0.15919101       0.43956096
Cl       1.43727005       9.59931002      10.68969998       1.31614648       0.16307464       0.53644049
Cl       3.14205005      11.02030003       2.29331002      -0.72675170      -0.01318045       0.11779599
Cl       8.73169997       5.38281004       7.76115002       0.15534444      -0.53118574      -0.38894200
Cl       3.87996004      10.76430000       8.20414995      -0.30033072      -0.56878284      -1.36258690
Cl       9.65738001       3.00296005      11.10330004       1.95295391       1.12592790      -3.37828616
Cl       0.61330203       7.25326004       8.34746004      -0.33003152      -0.27224405      -0.47906460
Cl       8.32970995       9.09361994       7.94390996       0.17524667      -0.41157471       0.68957685
Cl       3.68509996       2.92461005       7.60181997       0.26414980      -0.23828468       0.01053790
Cl      11.37002823       1.26208001       1.16423004      -0.10901024      -0.74482588       0.75678720
Cl       0.43466803      11.14340005       8.20763995      -0.03584630       0.87662854      -0.10505074
Cl       5.32037998       7.21233005       6.96254998       0.37611986       0.45837380       0.48552441
Cl       7.22818006       6.93818997       0.83615405      -1.02290888      -0.20184114       0.45962490
Cl       4.96954999       9.37826001      11.47410402       0.20195595      -0.08915583       0.04064803
Cl       5.58532004       1.06300994      10.31769994       1.62508055      -4.27078877       3.25737853
Cl       6.61655005      11.17029996       6.08382996      -3.16312096      -0.16068059       1.32169517
Cl       7.99914998       3.52663998       1.41748002      -2.69684755       0.25762354       2.99614753
Cl       6.86917996       3.48185999       5.41783999      -1.02343823       0.62705917       0.04879222
Cl       2.75036000       6.82189003      10.81339998       1.34305826      -1.31567298       0.50023106
Cl       6.65376004       0.60424602       3.18374998       0.51425536       0.10875312       0.07858749
Cl       2.01769002       0.37783406       5.49871003       0.84976063       1.05035502      -0.25997640
72
Lattice="11.45644724 0.0 0.0 0.0 11.45644724 0.0 0.0 0.0 11.45644724" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.48215143 stress="-0.01903227140137283 0.0016428438823965145 -0.009496929746985358 0.0016428438823965145 -0.03440299202623342 0.002016691641890672 -0.009496929746985358 0.002016691641890672 -0.024114652878100468" free_energy=-252.48215143 pbc="T T T" config_type=melt 
Li       0.80033996       2.65378003      11.31629995      -0.17448526      -0.29000163      -4.96049040
Li       5.73676005      11.36160000       6.47577994       0.77114080      -2.30084289      -0.01271917
Li       7.31628002       4.91676999       2.57541999      -0.06457741      -0.09601387       0.27180609
Li       4.92882997       5.83525995       6.30504004       0.98273531       0.29110317      -0.06948745
Li       2.00580005       6.92979998       4.80764997       0.94040872      -1.16754290      -0.89247119
Li       1.26714997       6.87743004      10.68000005       0.59761808       0.05304279       0.17704541
Li       4.17151000       6.25496002      10.90290001       0.91891409      -0.54770651       0.90227816
Li       9.76756001       1.82241006       9.79769001       0.09490223      -0.44528665       0.43587837
Li       8.07903997       5.41270000       6.01734001       1.46208660      -0.16069664       1.33685718
Li      11.20499999      10.08669997      11.33819998      -0.38504488      -0.15187459       0.01503208
Li      10.67820001       8.54096002       3.33033995      -0.15203361      -0.78153657      -0.05361612
Li       6.45493998       8.47164004       4.28136003       0.89246583      -0.13643410      -0.46510291
Li       8.47594996       0.17968899       2.28913999       0.91049301      -0.13673609       0.26980517
Li       0.50492504       4.11087996       6.13838998       0.46759328       0.45205846      -0.21228259
Li       4.50572996       3.16727999       8.03124000      -0.62401370      -0.07100927       0.12014648
Li       7.03718997       4.26183996       9.35205999      -0.07787822       0.92971829       0.50344897
Li       2.11783002      10.09570004       5.68097001      -0.01918047      -0.10985351       0.60728645
Li       7.73684998       1.53778998       7.64736997      -0.38158283       0.68053496       0.24611938
Li       4.00553999       8.80425003       2.22341997       0.84530749       2.35291471       0.25196657
Li      11.05049995       7.94303006       7.51719002      -0.85045363      -0.07463690       0.59893181
Li       0.25059203       1.04239006       7.68633002       0.05033094      -1.81725872      -0.88133793
Li       2.94659995       2.02542002       5.32001998      -0.30378338       0.55465928      -0.81161032
Li       6.45950996       2.69634005       4.58848996      -0.21744056      -0.12182788       0.34950122
Li      10.75020000       4.98145997       9.09894995      -0.07104538      -1.03823494      -0.66059437
Li       3.16674005       0.14994702      10.06860005      -0.92204866      -3.00988495       1.17444069
Li       3.54144000       4.44277003       2.39652001       0.14792883       0.17458884      -0.35714711
Li      10.84340003       5.17884997       1.90606996       0.61730780       0.10763695       0.64786161
Li       9.56136000      10.37940006       6.17200995       0.23454820      -3.34462444      -0.47155423
Li       7.22133002       9.82228002       0.00725273       0.07167152      -0.73805202      -0.12669234
Li       3.57985003       8.79590997       8.25469995       0.70154777      -0.80807195      -0.31865613
Li       1.45460002       0.39745005       2.46284001      -0.60105813      -0.06279427       0.30271447
Li       7.41461999       8.25026997       8.28871002       1.37779098      -2.09519469      -0.40462490
Li       4.77433004       0.32773103       2.01319003       3.79003387       0.53934754       2.37577111
Li       6.02855003       2.33055001       0.16721097      -0.33462508       0.47670953      -0.17291452
Li      10.54280004       1.83584996       4.65368998      -3.09646620       1.19396685      -0.83498048
Li       8.58064000       6.99684998       0.21234903       0.90763369      -1.07833181       2.17218299
Cl       1.03172995       2.73112995       1.60908998       1.36157689       1.64129533       5.81567948
Cl       7.42199003       8.26728005       1.74559996      -0.83533253       0.47926229       1.14978801
Cl       0.19035494       5.32544002       4.20606998       0.45367647      -0.00743773      -0.70204835
Cl       3.51922996       8.11118996      10.30320002      -0.47146909       1.27959499       0.09516904
Cl       8.88910003       5.01151000       1.08291999       0.35344869      -0.75695782      -0.67379603
Cl       3.77180005       1.85722998       9.82775998       1.75198314       3.68265925      -0.36075745
Cl      10.80690002       0.99178395       0.13349797      -0.96311990      -0.91083349      -0.97140679
Cl       6.77246996       5.90316998       8.06021003      -0.01910968       4.30598197       0.38798492
Cl      10.69150003       9.89909996       8.65438000       0.03565471       1.06520544      -0.25567015
Cl       0.09591762       2.64101995       8.85278997       0.64897701       1.42920770       0.90665548
Cl       6.04525995       9.53656000       8.04871005      -1.65869568       2.60638436      -0.74811117
Cl       9.42210001       0.76731205       6.54417998      -0.05033206       2.48695971       0.58758061
Cl      10.81690001      10.44960001       2.40272998      -0.03547607       1.20575681       0.68737475
Cl       8.55396000       3.08165004       4.28781001       1.03822503      -0.33661454      -0.69989821
Cl       7.69181995       2.37906004       9.80584001       0.64548823      -1.26613451       1.08787338
Cl       7.01216004       0.42521704       0.74977395      -0.73502919      -0.15534984      -0.39774530
Cl       5.71897002       4.51680995       1.02544998      -0.41144843       0.38744226      -1.22738637
Cl       0.81735404       1.20145996       5.10535995       2.86492449      -0.71878989       0.95057790
Cl       9.43899999       7.97352001       5.17299000      -1.09833475       0.68353933       0.42713090
Cl       6.68514995       5.48150995       4.64626002      -1.82117492       0.51171029      -1.46701611
Cl       4.69510996       1.52474005       6.26117995      -0.65510603       0.85303975       0.10794414
Cl       3.04233999       4.86405006       6.35733002      -0.87376096      -0.88091250      -0.08207689
Cl      10.83069999       7.79188996       0.92344006       0.74327604      -0.45705124       0.45031501
Cl       0.88777705       8.14040998       5.95850004       0.96342065       1.38587525       0.04166357
Cl       8.08592002       8.08553004      10.21730003      -0.67204308       1.93898762      -1.53691625
Cl       2.89500996      10.73340004       8.16140999      -1.19971938       0.52478214      -1.39646811
Cl       3.32297002       7.08058997       2.00070995      -1.26436951      -3.36538709      -0.09585633
Cl       4.68977000       7.90742995       5.37488995      -0.78926656       0.25601322       0.38898073
Cl       6.59397004       3.50967001       7.42221000      -0.24071953      -3.01121814      -2.18036492
Cl       7.06698005       0.04955280       3.92354998      -0.66644989      -0.70600225       1.15102640
Cl       2.79833004       4.98161005      10.00350005      -1.08964055      -0.49568714      -0.08710881
Cl       2.97563998      10.14730000       3.71673006      -0.01120145       0.34279685       0.18860634
Cl       3.16811001       0.27372099       1.18231005      -2.88773544      -0.55321151      -3.24302232
Cl       4.77964995       2.66696995       3.14394997      -0.90511101      -0.66934705       0.34664584
Cl      10.00909996       4.52930000       6.93540001      -0.40019399       0.27940501       0.53287470
Cl      10.87789998       6.97291998       9.48765002       0.38744668      -0.27679843      -0.23101370
72
Lattice="11.47639797 0.0 0.0 0.0 11.47639797 0.0 0.0 0.0 11.47639797" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.76091819 stress="-0.02804249084446508 0.007904445624525743 0.003010038161455614 0.007904445624525743 -0.028010654485515762 -0.005228904916748115 0.003010038161455614 -0.005228904916748115 -0.019155441186425284" free_energy=-250.76091819 pbc="T T T" config_type=melt 
Li       0.61535505      10.05779996      10.33949997      -0.01992088      -0.30172422      -0.75085052
Li       2.53390994       2.71478004       2.58846002       0.33071320      -0.32531164       0.08298802
Li       8.87850998       4.01050003       2.47286997      -1.52335767      -1.02829426       0.47090039
Li      10.33770001       4.45315996       9.96682001      -0.38074597      -0.37538663       0.19530951
Li      10.98039999       1.93044995       0.94547295       0.61206440      -0.15013399      -0.02559280
Li      11.19180006       4.64346997       6.88887004      -0.00193059       0.28418877      -0.34403242
Li       5.50326002       3.97919999       1.51216004       0.55222829      -2.44369312      -0.12844989
Li       5.33336996       9.83748996       1.38356000      -0.25460608       0.03736617       0.10381378
Li       6.33644995       6.27667996       7.97413998      -0.62810324      -0.21436955      -0.05231210
Li       2.98105003       5.74077004       0.43068098      -0.04188285      -0.26493742       0.23409527
Li       0.31009399       7.88280002       4.08410999       0.60200433      -0.62179677       1.05009955
Li       7.04033003       3.45031995       9.49791998      -0.27663615      -0.40485760      -0.66556578
Li       6.23677996       4.37256994       5.38262001       0.00189004      -2.22375304      -0.09800694
Li       5.04240001       1.15361005       7.85509002      -0.43683239      -0.24430129       0.21183464
Li       1.38794995       9.89552002       2.36862996       0.04381954      -0.43204713       0.27913093
Li       7.83531998       9.91316005       8.87199999       0.62636895       0.76081705       0.80711303
Li      11.04430000       1.35361004       4.51625995      -0.04125465      -0.85870612       0.20490807
Li       9.99278995      10.23080000       5.92734999       0.09189356      -0.17443541      -0.46715909
Li       2.92716995       5.22512997       6.25486998       0.07726267       0.65817922      -0.08106285
Li       1.02649001       1.43868997       7.81483002      -0.34616893      -0.75636056      -0.00471431
Li       7.09740997       6.71062001      11.17690002      -1.83458488       4.25862703       2.13889343
Li       6.91527000       0.94712096       0.55351804       0.26541819       0.68540787       0.46991844
Li       4.60195996       7.03599999       3.33769000      -0.24664123       1.25932079       1.10273451
Li      11.04200001       7.05247000       0.62501095      -2.36221217      -0.30356801       0.76393585
Li       0.20847600       4.79593002       3.25922002       0.85114557       1.33690274      -0.50253486
Li       2.99673999       0.66762602      11.47539998      -1.35317682       0.95771646       0.58758697
Li       8.71139997       2.75130001       6.71683999      -0.44713649      -0.68402227       0.12508245
Li       8.70753001       9.73560995       2.07379005       0.17694646      -0.24852819       0.94698673
Li       1.46956997       7.23760002       8.63912000      -0.21300104       0.36260597       0.77203190
Li       4.16823004       9.49034005       9.17374995      -0.27648161      -0.37394753      -0.03206337
Li       8.49766996       6.48152999       5.45582003      -0.31923881      -1.18745955      -0.01885167
Li       6.67119996       1.10170001       4.15106995       0.31114034      -0.71575192       0.76706893
Li       3.96891002       0.04546387       4.20443004      -5.37424876       2.98747410      -1.07759862
Li       6.02634001       9.09942995       5.74854002       0.35243292      -0.32796199       0.58017360
Li       2.90483998       3.50182005       9.29577000      -2.08566834       0.65986570       1.24661924
Li       1.96300000      10.06550005       6.29203997       0.19147248      -0.05509850       0.09817477
Cl       4.68830000      10.50090001       7.37724001       1.55447566       0.08401978      -0.95282171
Cl       0.22673897       2.78352998       3.05556996       0.27122167      -0.61999222      -1.02885702
Cl      10.58049996       8.20337001       8.84279003       0.09581443       0.13790619       0.64514780
Cl      10.35180003       0.80497797       6.59423005      -0.80796693       0.37019348       0.73932229
Cl       2.66463002       3.46715995       0.29382299      -0.57793375       0.57673232      -0.16154615
Cl       1.80924002       0.48402305       2.29873996       0.60241759       0.10467676      -0.85160241
Cl       7.92228996      10.64519999       0.30946899       0.57320918       0.11371384      -1.62225276
Cl       4.91552005       1.44731001       0.67542297       0.79423269       2.85662163       1.60454752
Cl       0.53069997       9.97275996       4.64064999       0.10022913       0.56421689       0.66579997
Cl       7.78802000       4.89020002       6.99670997       1.73446425      -0.24736247       0.76394253
Cl       2.40539999       6.18252001       3.44821001      -1.64778276      -0.82005295       0.80513946
Cl       6.35153006       2.17805002       6.59973998       2.55656380      -0.21618618       0.15167420
Cl       5.45864001      10.67510003       4.43385999       5.85504232      -3.16910582       0.12457119
Cl       1.44360003       7.21531997       6.53049002      -0.82877211      -0.65254701      -1.40633987
Cl       3.62538000       6.24132003       8.33038998       0.70180899      -0.10744518       0.66901634
Cl       4.36024005      10.79999996      10.87200001       0.63832954      -3.66264153      -1.30643816
Cl       2.17735995      10.38979999       8.45409006      -1.88989622      -0.64845842       0.58195670
Cl       8.82636995       0.15057298       3.60178005       0.73414030      -0.52106980       0.08448121
Cl       7.05816000       8.30863004       7.90889998      -0.47771601      -0.48417936       0.35757474
Cl      10.06040005       4.76758997       1.09180999       1.72973286       0.81955073      -1.95537886
Cl       7.20946999       2.50373000       2.69863000       0.68694806       1.98520384      -1.65313110
Cl       7.78706000       5.18256000      10.57130002       1.20924732      -3.22870229      -1.66652559
Cl       3.45982998       9.18317001       2.80397002       0.18578772      -0.49901194      -0.45572462
Cl       4.71558995       3.22155000       8.80207005       2.14120242      -0.39450634       0.06166197
Cl       9.81143004       4.59691998       4.21053996      -0.79350012       1.36092956       2.89167512
Cl       0.84743605       0.82160095      10.38249996      -0.71413773       0.43160433       0.77719431
Cl       5.94424004       6.34213995       5.44072995      -1.56452363       2.22551597      -1.18740002
Cl      10.98949997       8.53214001       2.27152999      -1.16812123       0.07050494      -1.47586434
Cl       1.64103998       1.57310005       5.66462999       0.99749878       0.33171044       0.25515767
Cl       0.74988104       3.56791997       8.57551000      -0.28542415       1.01835467      -0.16587401
Cl       8.83476000       8.44282000       5.28767003       0.25900955       1.03278943      -0.50986981
Cl       1.34307999       7.11457005      11.43960005       2.40428354       0.30714947      -1.62896919
Cl       4.77392999       5.77531997       1.79388001       0.49263561       0.16061576      -1.60874273
Cl       4.77504997       2.12302999       4.44722999      -2.55672604       1.56645061      -1.53243527
Cl       6.88423002       8.12908994       1.64899003       0.22884539      -0.48892843       0.07155480
Cl       9.04036001       2.50079996       8.97499997       0.14238847       0.10970418       0.92875097
72
Lattice="11.43908 0.0 0.0 0.0 11.43908 0.0 0.0 0.0 11.43908" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.41099259 stress="-0.03353759642502456 0.0069076818350238154 -0.0037484202315979775 0.0069076818350238154 -0.028591015475639126 0.0008516914067305807 -0.0037484202315979775 0.0008516914067305807 -0.02998067729637414" free_energy=-250.41099259 pbc="T T T" config_type=melt 
Li       1.99748998       7.39530002       2.92309995      -0.20116908      -0.89583886       0.39901611
Li       0.78841102       5.35692997       7.72805999      -0.17999378       0.10515200      -0.11992849
Li       7.45743001      10.70910003       4.67544003      -0.74233419      -1.52629300      -0.00646261
Li       4.82177995       6.63932005       7.96663997       0.29088581       0.41968733      -0.04557470
Li       9.39485006       3.75430995       4.94986002      -0.28768043       0.03803745       0.30031704
Li       2.74542999       0.35105804       9.84298002       0.07164278       0.45844836      -0.05638729
Li       9.37010001       7.51588005      10.42460004       0.52271589      -0.19769175       0.47536612
Li       0.38805901       9.36776998       9.97188999       0.11858645      -0.58907241      -1.07824978
Li       3.68580999       9.69768003       4.40553997      -0.59177654       0.03096292       0.96388502
Li       0.45096502       9.89498002       1.75652004       0.52875762      -0.56610211       3.54662882
Li       4.03197005       8.84505001      10.98070005       1.82779242      -0.92032623       1.88797946
Li       4.33404996       4.18302996      10.24720004      -0.37228149      -0.19523347       0.15174926
Li       7.80586004       3.81513005       8.94052995       2.12389827      -1.53225308      -0.33204059
Li       6.67605997       2.59038996       3.43731005      -0.31026999      -0.95942581      -1.18132853
Li       5.31197999       7.49012004       2.80715996       0.76118484      -0.22731243      -1.83782280
Li       0.81365696       2.04679996       7.42358005       1.04538959       2.83593037      -0.17084738
Li       6.37952996       6.30249004      11.16080001      -0.26021381       0.64133592      -0.10563400
Li       9.45548999       7.23086999       6.96352005       0.12468693       0.72696871       0.41954178
Li       6.39691004       5.54890999       5.18605997       0.94053027       1.39296438       1.17348153
Li       1.92970004       0.90288201       4.69556000       1.59536703      -0.14235735       0.78740214
Li       3.91606998       4.58546995       1.85466002      -0.00377882      -1.29238282       0.36371695
Li       4.48519006      10.18779999       7.85987000      -0.58955538      -0.82572241       0.47531846
Li       7.65494002      10.11570004       8.60514997      -0.58149040      -0.11316053       0.20680456
Li       8.80992997       7.49031004       2.99641999       0.14114560      -0.59337618       0.36784974
Li       3.82069996       0.23542004       1.53663003      -0.25211750       0.26309501       0.58097008
Li       8.72251996       3.41782998       0.65052904       0.80830777       1.71702635       0.06642052
Li       7.20498004       9.51151998       0.65497404      -0.44197156       1.40689770      -0.17693114
Li       9.56635996       0.84419003       6.85957004      -0.22861808       0.16306318       0.33143336
Li       3.02346998       4.34690005       5.12113999       0.17973423       0.21887045      -0.02928587
Li       0.32885204       3.43712004       2.61957998      -0.11782230      -0.51830396      -0.56393721
Li       9.42157003       0.42467001       2.37687999       0.42508938      -0.21247193       0.43967162
Li      10.52129996       0.95807900      10.80480006      -0.18781923      -0.56312874      -0.57108566
Li       0.51739702       9.79334002       6.13082995       0.33650629      -0.11579628       0.03487270
Li       6.36424998       1.52297006      10.40249997      -0.30107601       0.05985876       0.49606326
Li       5.51153005       1.90540996       6.74142001      -0.03637333       0.15907361      -0.00871154
Li       1.21851997       5.75900997      10.90040000       2.49256201      -1.93511959      -1.09551467
Cl       9.41311003       3.57839005       2.69424994       0.43762364       0.61401970       1.11200357
Cl       3.73718004       2.49684002       0.50262105      -0.01675681       0.67768275      -0.91554529
Cl       7.42352995       7.61716006       1.31310995      -1.27331361      -4.46058230       1.79902105
Cl       6.21163996       4.86297997       9.03074002      -1.12931167       1.97519800      -1.03441546
Cl       5.26162002       9.46244999       3.05073000       0.99587723       1.71327946      -0.81564209
Cl       8.64668996       9.53365002       2.44286003       1.79683197       3.49527110       1.68477219
Cl       0.71116200       0.19472506       3.31001002      -2.38416552       0.55019982      -0.62348952
Cl       8.63884000       6.53061001       5.17607000      -0.09858220      -0.23703033      -0.61843739
Cl       0.12132002       0.48545305       8.11634000      -1.32623025      -2.98496597       1.88870251
Cl       6.90354998       4.35096996       0.13581997       0.60042560      -1.71586793       1.84651802
Cl       6.97118995       3.70892002       5.07709004       0.19252786      -1.21328978       1.43848247
Cl       4.50300002       0.72891099       8.45083003      -1.70912551       1.31362445       0.92928707
Cl       4.07096999       1.67528999       3.44601004       0.52594616       0.05045787       0.98613275
Cl       4.84998998       6.26763997       4.26733003      -2.29420990      -0.62028616       0.10729718
Cl       0.05030427       2.45128995       0.33418998       1.27957492       1.26827415       0.37611363
Cl       2.23224003       9.43337002       2.52815999       1.96359354      -0.72423703      -0.55786399
Cl      10.06790002       3.44730998       7.73871001      -0.27105193       0.60507670      -0.35306700
Cl       7.29899006       8.12332002      10.23069997       2.65100835       1.35586312      -2.43905659
Cl       4.27563000       6.23734002       0.68101099      -0.24545236       1.25160806      -0.89368787
Cl       5.46930006      11.31060003       0.17761997       0.76777794      -1.10659713      -0.28906097
Cl       4.14477001       4.84796996       7.22958996      -1.31935026      -1.08857003      -2.37332289
Cl       4.91759003       8.32052003       9.25959998      -1.49147813       0.02410047      -1.93698210
Cl       7.11659004       1.27415005       8.33303999       2.68562455       0.44587374      -0.24364559
Cl      10.80169995       7.81642002       8.65873005       0.37218812      -0.70038637      -0.45888101
Cl       5.33587005       9.56237001       6.11156997       2.06186391      -0.42564717      -0.66503147
Cl       1.28598995       2.73735000       5.52712003      -0.08305210       1.47814071      -0.56216433
Cl       1.90575004       5.02536995       2.62922003      -0.28255930       0.10883818       0.59410234
Cl       8.66114998       1.47565001       0.56398005      -1.56108980      -2.81634926      -0.80059192
Cl       2.65520001      10.66907801       6.61871003      -1.60917733       0.20655260      -1.12470818
Cl       1.35146004       7.80119999       5.14149995      -0.48641221      -0.43700411       0.45423180
Cl       1.99071003       4.40100003       9.25246005      -0.35469233      -0.06764517       0.65412783
Cl      11.16690002      10.33409999       0.17852000      -3.25302597       1.76169931      -3.01985932
Cl      11.25739996       6.69094999       0.22022299      -2.71187347       1.76724196       1.69624980
Cl       8.40446995       1.10514004       4.82157005       0.64266774       0.23394254      -0.40658314
Cl       2.42649002       9.70423999      10.50720004      -1.69385371       1.30651841      -0.71824600
Cl       9.16586999      10.00880001       7.07556995      -0.02720845      -0.32100792      -0.80550638
72
Lattice="11.42866414 0.0 0.0 0.0 11.42866414 0.0 0.0 0.0 11.42866414" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.71480966 stress="-0.02285152482234997 0.0019527325822778605 -0.004497212258909527 0.0019527325822778605 -0.020545177780439624 -0.0011594724113952071 -0.004497212258909527 -0.0011594724113952071 -0.022020829627624534" free_energy=-255.71480966 pbc="T T T" config_type=melt 
Li       2.16537002       8.61126003       6.44460999      -1.14462418       0.28166259      -0.99505260
Li       9.65891995       8.94724995       7.72432998       0.09726278      -0.65364089       0.26181866
Li       5.11243004       7.07927000       7.08998003       0.05069752       0.16679669      -0.10591361
Li       2.52570003       6.05842000       9.77517998       4.52534704      -1.37641864      -2.37386048
Li       7.08720995       0.22356604       6.90396995      -0.38922528      -0.23946601       0.57451833
Li       2.28834999       1.34799002      10.11970004       0.14775204       0.59638336       0.39630625
Li       0.43710503       0.12981500       7.08565005       0.80769036      -1.54951569       0.26019779
Li       0.33566901       4.60760001       7.95823004      -0.34766380      -0.85983661       0.21978549
Li       3.84373998       6.82230003       3.51032996      -0.97850375       0.40492254      -0.70568269
Li       1.15385005       8.77347997       9.57927999      -0.30203878      -0.54164683       0.04370658
Li       3.94375005      10.42550000       1.69660005      -0.03461056      -0.65931450      -0.26236612
Li       1.34701001       3.90676998       4.27256003       0.30161622      -0.44162014      -0.42499477
Li      10.04580001       4.89795996       3.91976003      -1.27721318       0.22703038      -1.38093911
Li       9.31540003       1.88433997       5.44090002      -0.06356769      -0.24020609      -0.69398230
Li       5.26729004       6.90572996       0.42818999       0.24715574       0.38306647       1.64139602
Li      10.04419999       9.85449994       4.81519003      -1.42175367       0.69914345      -1.12895636
Li       8.10612004       9.69448001       0.12500204      -0.45251070       0.12534967      -0.16058452
Li       7.79574004       6.66698997       2.94806997      -0.31684923       0.28849670       0.19366867
Li       0.55438895       6.42119003       5.59824999      -0.22758505       0.49386257      -0.07168364
Li       4.39381999       3.32794997       7.92412005      -0.56667110       0.71335425       0.14170698
Li       6.72362997       5.09763004       9.56285003      -0.25112842       0.40759276       0.25226659
Li       3.88509003       0.82290999       5.55322002       0.78979583      -0.94351300      -0.31456397
Li      10.04399999       0.65741505       1.02707005       0.89172205       0.46088837       1.58256303
Li       5.91319003       9.13835996       4.69041005       0.11376651      -1.15893886      -0.23012607
Li       4.79675000       9.53988996       9.19803004       0.12351303      -0.09854152       0.17532879
Li       9.69702998       6.62540998      11.33300005      -0.16618425      -0.20303431      -0.52197791
Li       6.49868998       1.48605000      10.44749995       0.83855136       0.96048738       0.10911356
Li       8.48987996       5.36555998       6.79727994       1.07775497       0.26301875      -0.19822803
Li       4.19659004       3.33647998       1.12201996       0.17075660      -0.96125325      -0.99041911
Li       0.68741598       4.39053002       0.62005097      -0.23434693      -0.13027775      -0.12451660
Li       1.00763995       7.93776005       1.40215000       0.63301062      -0.77275982       0.05413562
Li       1.02862000       0.37550099       3.21476996      -0.17911823       0.63344055       0.06078457
Li       9.74699998       2.00026000       9.21624996       0.44666878       0.22044238      -1.31576710
Li       6.58819002       0.83019199       3.04786004      -0.00545740       0.14473063      -0.19042681
Li       5.54319000       3.63480994       4.26205995       0.27317543       0.17269533       0.21698260
Li       8.17688999       3.72757995       1.12293997       1.87885234       1.67832898      -0.01848501
Cl      11.02439995       1.88736000       6.78166004      -0.76716676       1.68477668       1.37151187
Cl      11.24450002       6.63528994       7.86558998      -0.62386881       1.16841857      -0.66055465
Cl       7.18325999       5.88747005       0.05952757       1.54024125      -0.13188951       1.15662710
Cl       6.74607998       4.68052997       7.50471997       0.05174179       0.94957076      -1.43678824
Cl       5.65817996      11.16310004      10.83810003      -0.81291768      -2.22039179      -0.25431900
Cl       9.25542000       0.61038404      10.60309996      -1.17818334      -1.47027534      -0.14744656
Cl       9.18187997      10.97910004       7.11648996      -0.58614036       0.14470008      -0.15231708
Cl       2.41344998       3.47339001      10.92010001       0.52490390      -0.32780797       0.14299315
Cl       3.90908005       8.58340003       5.45710998      -0.45718064       0.57865435      -1.62931912
Cl       0.98809396       6.46301997      10.56900002      -4.24816734       1.63642464       3.59162358
Cl       0.32993799       2.61174999       1.99931999      -0.05250577      -0.17763527       0.60483862
Cl       0.16159800       9.37406999       5.95273000       1.31990255      -0.43757462       0.73914715
Cl       4.33659004       1.06074998       2.15554994      -0.60406216      -0.08174258       0.72502987
Cl      10.13430004       3.64914995      10.43379996       0.10621898       1.30655738       0.09391822
Cl       3.99234999       4.46740995       2.81349997      -0.32267355       0.08018456       0.54703862
Cl       5.20120002       2.18708997       6.42658002       0.64332806       0.29657053      -0.47807630
Cl       2.44875998       4.36199001       7.83047004       0.38078904       0.33976340      -0.51223268
Cl       6.74277996       2.46045996       1.03006001      -1.32532632      -1.29043448      -0.33349990
Cl       8.89178996       6.70053996       5.19886000      -0.27912155       1.34225320      -1.01423463
Cl       5.67441997       3.24334997       9.56249003      -0.74575453      -1.25498146       1.61513349
Cl      10.85609995       4.50299996       5.60854001       1.55472289      -0.99262601       1.31517476
Cl       1.62747995      10.90349999       9.36511997      -0.53852359       0.84591433      -0.16233148
Cl       6.06827997      11.16170003       5.12171001       0.15579303       0.73168858      -1.88732650
Cl       9.71669002       0.30114496       3.37951999       0.25575475      -1.03800211       0.16805133
Cl       3.61395000       8.07836999       1.36305997      -0.32206481       0.18351502       0.07604838
Cl       1.99286005       1.35804005       5.07562003      -0.75922045       0.14724998      -0.49606938
Cl       5.52089004       6.40637997       4.59410001       2.29007795      -0.94622452       0.63259126
Cl       8.00690004       2.71693998       3.70209003      -0.36204933       1.22058705       1.11487464
Cl       1.01187004       9.93009004       2.10943003      -0.20121258       0.57836373      -0.20275178
Cl       1.54769998       6.50545003       3.35462001      -0.84757244      -0.36792369       0.80920748
Cl       9.69955000       8.68094996      10.10989996      -0.10956311      -0.15755786       0.42458983
Cl       9.91878995       5.67687999       1.97618997      -0.20346185       0.43833675      -0.70005016
Cl       6.13801996       9.26595002       7.38714004       0.86539851      -0.42884503       1.05229462
Cl       2.94790997       8.46437004       8.22337002       0.19729881      -0.65166742       1.95902201
Cl       4.78439001       6.78867004       9.95202005      -0.52390475      -0.27883028      -2.16919493
Cl       6.65965002       8.81601997       2.07642999       0.92843320       0.08917047       0.12104367
72
Lattice="11.41664492 0.0 0.0 0.0 11.41664492 0.0 0.0 0.0 11.41664492" Properties=species:S:1:pos:R:3:forces:R:3 energy=-257.2871721 stress="-0.02182450207177558 0.0011342027192311906 0.009617211741802993 0.0011342027192311906 -0.011390988804272533 0.0038071473212199806 0.009617211741802993 0.0038071473212199806 -0.016394956522885747" free_energy=-257.2871721 pbc="T T T" config_type=melt 
Li       5.80903999      10.33500001       4.19098996      -1.59665109      -0.32493268       1.36909113
Li       7.78586003       8.27270995       2.56457997       0.83640595       0.50122327       0.48652482
Li      10.65990003       0.27724101      10.60600000      -0.44722646      -0.39155639      -0.17923344
Li       4.84765996       4.23871998       7.23499001       0.61080911       0.45445037       0.28747145
Li       0.20377798       4.06709002       7.04148005       0.06846762      -0.41917883      -0.22564790
Li       3.49403997       9.23229996       2.11201994      -0.42322855       0.01776321      -0.15713187
Li      10.62830001       8.60056996       7.16218995      -0.11759337       0.04670279      -0.13513558
Li      10.28530005       4.10079995      10.87929998       0.26706028      -0.51614924       0.08126072
Li      10.62299995       6.99826006       3.30131000       0.31322423      -0.23824865       1.38428643
Li       1.61545000       7.80664003      10.00069999      -0.02256713      -0.87717305       0.88097558
Li       2.37173001       6.63794001       5.07599000      -0.30527855      -0.66612602      -0.48298001
Li       3.17332005       2.18326997       5.48638003       0.19492154       0.28695367       0.25762025
Li       5.46362997       6.80070997       3.90906002      -0.40206381      -0.50217328       0.38385661
Li       4.00197005      10.71179999      10.11459997       0.25503958       0.08300333      -0.36553773
Li      10.49529998       3.60903995       3.33896004       0.28725771       1.29736995       0.25229960
Li       7.53402996       8.95828005       7.02089002      -0.21558603       0.12705914      -0.01967839
Li       7.14119006      10.79779997      11.28645087      -1.22775817       0.73854565      -0.60162658
Li       7.37151996       5.37671002       8.58120002      -0.02601763      -1.00564287       0.35993925
Li       1.48442003       0.28178004       7.87165999       0.18211117      -0.72580624       1.24589452
Li       9.18875003       0.95928701       1.93572000      -0.05422530      -0.45189769       0.28250875
Li       5.31246000       7.92605996      10.55229998       0.76918740      -0.90995082      -0.44716030
Li       9.47011004       1.63396997       8.27990004       2.12855385       1.11931360      -1.78693674
Li       1.91275006       1.68959004       1.03772998       0.33480007       0.02984605       0.06963429
Li      10.94416593       9.57557005       1.23160003       0.05515541       0.58405383       0.58471350
Li       3.03842999       9.08792998       6.42602002      -1.89291674       2.60861079       1.41273234
Li       8.84345999      11.20289998       4.68414004       0.30264249      -0.15102535      -0.34671165
Li       5.52517002       2.93802996      10.33530004      -0.38191893      -0.01398323       0.76360760
Li       8.01208005       5.78073002       5.44984003      -0.85501741       0.29108838       1.30230029
Li       9.42145002       7.55823998      10.03889997      -0.09534647       0.20554217       0.34251581
Li       2.37587002       3.72261000       9.70979999       0.08346689      -0.03424952      -0.36351947
Li       5.08816003       2.40323995       2.02765996      -0.52736840      -0.08118884      -0.25153829
Li       6.42925995       0.57265800       7.95052001      -1.18134930       0.15500033       1.70362819
Li       1.41002004       0.26130702       3.81892001      -0.56625365       0.23878642      -0.04225722
Li       2.07193998       6.01728998       1.46785002      -0.25195491      -0.51022850      -0.03989410
Li       7.65380997       2.61362006       6.16630996       0.32683410       0.36545977      -0.04334348
Li       7.15254996       5.36060000       1.23828995       0.04394890      -0.02341257      -0.25989787
Cl       2.69168000       4.47574996       7.35122995      -0.72972669      -0.24106882      -0.00972513
Cl      11.12490991       7.46136005       1.40765006       0.56484431      -0.41706623      -1.63111876
Cl       8.33540000       7.19865003       8.15312002       0.82184933       0.62750136      -1.24774083
Cl       3.53441996       1.73590999       3.35105004      -0.48090072      -0.06502772       0.31601369
Cl       8.22172001       0.92805005       9.47192997      -0.39161548      -2.36106399       3.60539687
Cl       0.22706896       1.85327002       9.31494003       0.31600230      -0.08379385       0.42688733
Cl      10.49629997      10.92890005       3.36050998       1.05654038       0.74684875      -0.42836898
Cl       2.76039005      10.09920006       4.43142005       0.40047661      -0.08718072      -0.35140176
Cl       6.24002005       7.79497998       1.23875997       0.48100590      -0.75264074      -0.54440308
Cl       6.74128006       3.05457997       0.92711902       0.98740992       0.27622108       0.28438219
Cl       3.91760001       0.72033595       7.89408000       0.34975371      -0.57206280       0.35181153
Cl       9.83227000       8.43676006       4.81603996       0.67284824       0.07986971       1.51222376
Cl       1.33665999       8.68062998       8.20043996       0.61344091       0.39978664      -1.98814704
Cl      10.94769995       2.39381003       1.72236003       0.40564571      -0.23630451      -1.65852972
Cl       6.47206004       9.54360995       9.60366002      -0.46171387       0.36376701      -0.79269218
Cl       3.40303002       8.66547005      10.90790004      -0.67762567       0.07241499       0.44442549
Cl       8.41641000       5.13128002      10.65699998       0.08313820       0.85295123       0.55065703
Cl       1.05982005       5.02945005       4.03371003      -0.06381947       0.29260364      -0.05510366
Cl       1.32769998       1.50064000       6.30987005      -1.16105941       0.62815738      -1.85481818
Cl       0.79181602       5.05948005      10.41090004      -0.34328973       1.23767724      -0.07325158
Cl       4.48558004       0.78574100       0.25635505       0.33239575      -0.40304530      -0.21139360
Cl      10.17130005       9.88494000       9.08359999      -0.10879844      -0.34596167      -0.12878476
Cl       3.73862995       6.94938003       2.61408997      -1.15003637      -0.06905172      -0.07628788
Cl       8.90549998      10.19770002       0.59180006       1.88937632      -0.24668760      -0.04409312
Cl       9.27367000       3.84506002       7.61462999       0.63541985       0.92972782       0.25916821
Cl       7.31892005      10.53160001       2.97907999       0.63172277       1.97436197      -1.14313825
Cl       7.59584002       0.09619037       6.40351005       0.31197935      -0.50827091      -1.10218887
Cl       5.86013998       4.66659996       5.05725004       0.32493044      -0.40188816       0.31512396
Cl       5.31851002       6.03228997       8.92939000      -0.45813322      -0.11530151       0.23715119
Cl       9.74953003       2.66494998       4.98375002      -0.84543054      -1.51235840       0.20806004
Cl       6.82449004       8.25036004       4.64011997       0.01205661      -0.38369166       1.16818107
Cl       3.35560003       3.80093001       0.34779701       0.07175545      -0.05425459       0.15146301
Cl       6.69969002       2.77879996       8.53634003      -2.52223184       2.00101825      -1.78881876
Cl       9.09223006       5.59255003       3.79631003      -0.13794765      -0.76530221      -2.14934566
Cl       4.04575003       7.69653003       5.79431000       2.17489868      -2.87870375      -0.10385751
Cl       1.50867001      10.63070002       1.08860997      -0.07472601       0.70997081      -0.15036657
72
Lattice="11.4259254 0.0 0.0 0.0 11.4259254 0.0 0.0 0.0 11.4259254" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.21245339 stress="-0.029021193597733967 -0.00408065899547047 -0.002864185970775589 -0.00408065899547047 -0.015900643112167927 0.0006738783826847363 -0.002864185970775589 0.0006738783826847363 -0.02542481813251035" free_energy=-253.21245339 pbc="T T T" config_type=melt 
Li       3.58606999       0.40030604       6.37502995       0.71515535       0.25411312       1.58258979
Li       4.52743999      10.11660004       9.35570997       1.75761220       1.09349499       0.92007075
Li       3.41234005       6.50247004       7.37478997       0.87375809      -0.42912840       0.65146298
Li       2.16621000       4.08387002       8.78107995      -0.07836412       0.79357307       0.28173951
Li       6.92714997       0.65919900       8.17295004      -0.94264597      -0.30150737       0.66140058
Li       7.74325001      10.73510001       4.35642005       0.47126422      -0.30491120       0.99080814
Li       6.54161000       8.04707005       6.98784003      -0.19748917       0.44653731      -0.64661561
Li      10.50400004       2.63754005       7.26093005       0.02577012      -0.08935465       0.50448455
Li       2.23352002       7.84718000       2.27179001      -0.38303675      -0.50460799      -0.16915564
Li       2.56537996       7.29094001      10.25909996      -0.19347722      -0.38859153       0.12777749
Li       6.13418001       9.89152999       0.55179599      -0.43916569       0.06632473       0.34409190
Li       2.25422996       3.02910000       5.54182005      -1.48675512      -0.37145943       0.25868372
Li      10.85190005       3.60302001      10.98339999      -0.04620248      -0.08100968       1.11642559
Li       9.81003995       2.54413997       3.67158002       0.34219692       0.40611361       0.79820242
Li       6.27284995       8.10287998       2.75308004       1.24217769      -0.65804969       0.57074140
Li       9.87567995       9.04853002       3.29473997       0.26680895      -1.19029751      -1.16911487
Li       1.05821002       0.48167702       3.43781998      -0.52703117       0.12506278       0.23532597
Li       8.32180003       5.48084000       5.78253002       0.15315997       0.89657047      -0.75479023
Li       1.01600997       8.84150996       7.74417997       0.64622143       0.13773679      -0.68364736
Li       6.43770001       2.16273001       5.05182004      -0.14859686       0.12307948      -0.00381745
Li       6.72063997       3.69741998       8.61263005      -0.15790772       0.10757290      -0.24083464
Li       4.47869002       0.07134782       3.07507998      -0.13878782      -0.13992854      -0.63397182
Li       1.49524002      11.18510003      10.29609996       0.34624030      -0.12151219      -0.33723833
Li       3.67069005       8.51551003       4.84900003      -0.61178936       1.12553207      -0.35099328
Li       6.60017004       7.58125998       9.90980005       0.88298094      -0.58986977      -0.09619474
Li       9.94356994       8.75977997      11.12090004       0.18938430      -0.47619322       0.05861452
Li       3.87486997       2.29612997      10.35650003      -0.96831574      -0.38811159      -0.38234932
Li       0.34257095       6.61599997       5.26100999      -1.86254810      -0.54620214      -1.31379030
Li       5.42640003       5.38571997       0.24131794      -0.55720273      -0.38857731      -0.17220104
Li      10.08719999       6.35266004       8.43534996      -0.13641575      -0.83520924       0.51134801
Li       2.51812005       4.00973999       1.79376003      -2.86645340      -2.26981332       0.18012764
Li      10.19920000      10.73650003       6.94907998       0.29234038      -0.46749828      -0.10443577
Li       8.96090002       0.19536596      11.29260005       0.07678214       0.17080468      -0.01128903
Li       7.01100998       2.52971005       1.61535997      -0.02577166      -0.30440856      -0.04999548
Li       4.78159005       4.68405995       3.81085005       1.53027634       3.07909964      -3.11746322
Li       8.80440004       6.64784997       1.67240002       0.93101358      -0.14268467       0.18990737
Cl      10.76089998      10.51259999       4.33909995       0.91461409       1.38852582       0.98068535
Cl       0.96597001       8.98114996       9.80224998      -0.55715605      -0.14263214       1.61040163
Cl       6.80849997       6.99040001       0.75900594      -0.58217213       0.18040814       0.95140530
Cl      10.54729996       7.95854998       7.16394999      -1.48253032       1.22026179      -0.49287259
Cl       4.58146999       8.25655000      10.02050001      -0.81198386      -1.16344751       0.82992747
Cl       8.43351004       0.47043597       6.81891995       0.54696331       0.15784710      -1.33557347
Cl       6.55596005       0.54674104       3.21377004       0.08849878       1.75821972      -1.29803390
Cl      11.26220000       3.94461999       9.03434005      -2.54651570       0.15100113      -3.56115582
Cl       4.54975002       9.12958999       2.42102996      -1.40122914       0.38381306      -0.01207451
Cl      11.25210005       7.88558002       1.48424999       0.28825180       0.34146388       0.01314910
Cl       1.53958997       4.66506000      10.77729995       1.24331790       0.46903429       3.09213968
Cl       9.10410995       6.57932995      10.39579996       0.91255017       0.15434733       0.95976537
Cl       3.89206998      11.20774038      11.13220005      -0.70894120       0.68113116       0.77281361
Cl       8.50405005       3.67429002       6.81180000      -0.47526839      -1.07795746       0.04601392
Cl       8.06708999       8.60471005       4.30818996      -1.37252569      -0.97545430       0.45399491
Cl       3.61580002       5.42582005       1.56403003       3.95987421       3.27709988      -0.60191401
Cl       4.02353005       5.56295001       9.31828001       0.41467879      -1.31377335      -0.61868546
Cl       5.05028999       1.95700999       8.32217000       0.72637069      -0.10925173      -1.71006048
Cl       1.81931000       6.12505995       3.73332995       0.23166716       0.01771325      -0.42693309
Cl       2.10918001       2.36564999       7.67002000       0.14918843      -1.25349021      -0.28668924
Cl       0.10509795       2.47282997       5.28445005      -0.66367314      -0.11792119      -0.96160255
Cl       3.14784999      10.38330000       8.07794004      -2.25761794       0.39959725      -2.47849125
Cl       6.96701000       4.10976003       3.22646001      -0.03884383       0.14532083       0.31788777
Cl       2.20230005       2.00598002       2.28149999      -0.20743755      -0.34840509      -0.70422387
Cl       9.95634001       6.12051003       3.96808998      -0.71180946      -0.74736220       0.16124511
Cl       4.07928000       3.55798004       5.01090997       0.26573754      -2.62481467       2.63949829
Cl       4.70850000       7.06574999       5.78658005       2.21105493      -0.82965843      -0.08048832
Cl       7.56501997       6.31651996       7.93448995      -0.93302546       0.32960812      -0.45489907
Cl      10.26409994       0.77486696       9.36304998       0.36560604      -0.55058797       0.75700370
Cl       2.93753001       0.07716739       4.48486996      -0.94606987      -0.92855679       0.00943554
Cl       1.76689002       7.19985996       6.42985999       1.43003365       1.02395746       1.67377983
Cl       9.40956995       2.19044999       1.62827995       0.02228330      -0.11425002      -1.23358686
Cl       5.80892996      10.58390005       5.76954000      -0.57519912      -0.50595036       0.92802521
Cl       7.11262999       9.72036997      10.07910004       1.18873438       1.40166824      -1.19635235
Cl       5.81857996       2.29729999      10.95499994       2.44510345       1.20017440       2.20264472
Cl       8.64750997       9.96649001       1.48446000      -0.10771584       0.28563123      -0.69208389
72
Lattice="11.39891136 0.0 0.0 0.0 11.39891136 0.0 0.0 0.0 11.39891136" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.34857271 stress="-0.018316799177450587 -0.007575706406163532 -0.0027915869086684907 -0.007575706406163532 -0.03946602092996913 -0.0019322839878004043 -0.0027915869086684907 -0.0019322839878004043 -0.026220626411976665" free_energy=-251.34857271 pbc="T T T" config_type=melt 
Li       4.57363000       8.29751003       8.64866000      -0.14434392       0.19788190       0.15701889
Li      10.90550002       4.37487004       9.39011005      -0.28468129      -0.32753544       1.20445830
Li       8.97637995       3.32920002       5.77056995      -2.23343746       0.57676598       1.48037415
Li       3.62962996       1.68789004       4.12384002       0.29430422      -0.10614378      -0.73433191
Li       8.17512995       3.52386994       0.13795795       0.00878412      -1.20127683       0.25043787
Li       7.31754004       6.32645998       3.43304000       0.17043569      -0.40527296       0.16084430
Li       2.02209996       9.81159996       6.28715004      -0.00868766       0.04510489       0.30076709
Li       4.35569000       4.69229997       2.72954000      -0.80178288      -1.62153096      -0.00963332
Li      11.30561503       5.27651002       1.96565005      -0.85702137      -0.80746851      -1.54713047
Li       0.59356901       1.97725003       7.20150995      -0.58885304      -0.01581557      -0.21507591
Li       4.83414996       9.01001005       1.99568002       1.97864860      -0.21374183      -0.54071055
Li       7.26510003       9.84574996      10.49070002      -0.02369275       0.33674717       0.25234936
Li       7.00089002       1.57816001       3.76105997      -2.53683331       3.49151557      -1.33447754
Li       0.34868301       7.69934999       9.00941001      -0.21100323       1.28526541       0.40394723
Li       3.99392001       0.98604299       7.72338996      -0.36451577       0.04056146       0.52940347
Li       8.10406002       7.40295995       8.22608001       0.39807112      -0.12986180      -0.66370053
Li       5.97124004       4.18756005       5.94550996      -1.84786944      -0.36077582      -1.17516904
Li       5.78788000       5.13533997       9.47081001      -0.57705844      -0.64812922      -0.77288525
Li       5.39634005       8.56187005       4.89124995       0.02199891      -0.07110396       0.08408571
Li       2.25944000      11.26549998      11.20989997       1.30110508       0.23535365      -1.60771893
Li       8.45680002      11.11500004       1.76907001      -0.41915759      -1.18541254      -0.12318349
Li       0.14979594       2.04745000       1.22293004      -0.73598071      -0.23313198       0.18334785
Li       1.90176998       7.45686004       3.48700997       0.41540260       0.37951963      -0.16154614
Li      10.67909997       0.14064501       4.39059996      -0.39329508       0.55338911       0.23859530
Li       7.44775995       1.31829003       8.48281005       0.25888848       0.11650209      -0.40847160
Li       2.49494995       5.19415003       7.28445002      -0.43396061       1.00472585       1.62117874
Li      10.08750001       7.38680997       5.26142002      -0.62229800      -0.75087036      -1.55367701
Li       3.15423995       7.23811003       0.03097757      -0.26662013       0.19037823       0.95279535
Li      11.04790001       8.87512000       0.89451304       0.63617722       0.15979525       0.61160233
Li       2.88333001       3.49751999      10.49470001      -1.09391402       3.01371020       0.81711088
Li       2.09836005      10.61320002       2.96314997       0.70586619       0.19580320       0.86084519
Li       5.00808002       1.00907996       0.02158920       0.85645579       0.20994200       0.18801685
Li       1.13454995       3.93525004       4.43402001       0.07691565      -0.02226926      -0.22295020
Li      10.36060003       0.01606756      10.06500004       0.33956677       1.78202732      -1.17852674
Li       8.19468000       6.83014995       0.22554798       0.82217279       0.25084575       1.36921343
Li       7.71974003      10.91359997       6.14659998       0.08433617      -0.21271971       0.93164514
Cl       3.75810002       8.31936004       6.54629004       0.41583330      -0.91236114      -1.32007530
Cl       3.39310004       6.00080995       9.77039996      -0.04827726       1.42720695      -0.43716723
Cl      10.28010000       7.41122005      10.99569995       1.42680510      -1.16576613      -1.25138532
Cl       6.93758001       6.68326004      10.03360003      -0.16018259       0.89707908      -0.15104217
Cl       1.87759004       5.28276004       1.41453001       1.95896252      -0.49591163      -0.86516162
Cl      10.62889997       2.96310996       4.89657005       2.51889674      -0.93253028      -2.51555905
Cl       0.50753197       9.57462001       4.38486004       0.31527196       0.23571273      -0.12565584
Cl      10.24640003       3.34404995       7.72496996      -0.06990690       0.78919153       0.61453493
Cl      10.63069997       8.18805997       6.94132000      -0.08198886       1.40542000       1.81226748
Cl       9.12248003       1.60787002       1.61941997       1.27641267       1.66278553       0.82538330
Cl       7.00408001       4.03264998       4.04412002       0.45651534      -0.60435785      -0.21941679
Cl       3.30350995       1.67947000      10.31860005      -1.61212592      -5.35269693       0.85921781
Cl       9.80952000       4.87967003       0.52123198      -1.07469101      -1.28773457       0.08896601
Cl       1.00176004      10.73920005       1.22616995      -2.92429308      -0.10971534      -0.54573138
Cl       5.90433002       1.02240997       6.72623998       0.42555697       0.10851997      -0.30569540
Cl       5.37358999       2.06407999       1.96099997      -0.36534068       0.39759318       0.69549985
Cl       2.66863995       9.77744004       8.77940995      -0.86151491       0.66609026       0.89635260
Cl       5.03239002      10.23590004      11.30442681       0.28418385      -0.86686187      -0.12628518
Cl       0.41946204       5.84977996       8.24229998       1.53357185      -1.06738748      -0.66294347
Cl       7.28580000       8.15552998       2.21525999       2.19263134       2.11967297      -1.22353677
Cl       2.85878997       8.77139002       1.82606000      -1.39239030      -2.39576907      -0.49849359
Cl       7.26473002       7.29775005       5.37870000       0.43864297       0.51227440       0.71714020
Cl       3.12654995       4.23996996       5.63447003       0.74218630      -0.28683091      -1.59590757
Cl       1.79387997       1.75185001       2.58153004       0.81531406       0.90167579       1.20936678
Cl       7.52175005       1.19881006      10.68320005      -0.84091492       0.16062383      -0.97419859
Cl       0.20692398       6.13792997       3.65908999      -0.82337712       1.11260027       3.09759399
Cl       2.50159996       1.13858003       5.90257995      -0.76078775      -0.79767311       0.98605531
Cl       9.54136004       0.76991097       7.07992996      -0.31682693      -1.87985344      -0.04072125
Cl       7.29018003       4.55594003       7.26543995       1.49193101       0.46532326       2.27059016
Cl       8.09846999       0.19158868       4.14598001       2.68977938      -3.69315544       0.46158999
Cl       9.66375004       9.95237002      11.14340533      -2.39829543       1.27653367       0.93077373
Cl      11.19040931       2.08010002      10.50559999       0.64372047       0.08143331      -0.70507248
Cl       7.42976996       9.52993001       8.31338005      -0.45377932       0.19327188      -0.41213973
Cl       5.38338005       6.35487997       2.47176000      -1.81518937       0.04116767      -0.45623544
Cl       4.48870002       3.53209004       9.16656999       2.25728509       0.52616165      -2.71245973
Cl       4.57489004      10.32649996       3.61850998       0.19225874       1.11549311       1.33070296
72
Lattice="11.40753273 0.0 0.0 0.0 11.40753273 0.0 0.0 0.0 11.40753273" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.28258073 stress="-0.02869740850858383 -0.0004418317374064132 -0.0010441763774861844 -0.0004418317374064132 -0.02988973353392725 0.0011689779114769617 -0.0010441763774861844 0.0011689779114769617 -0.024139810965839805" free_energy=-253.28258073 pbc="T T T" config_type=melt 
Li      10.45629998       5.59973001       2.35884004      -0.28389551       0.03107160      -0.57167422
Li       6.39400001       1.47247999       2.93851005      -0.46811778      -0.80780527       0.29537190
Li       9.69932999       8.71976002       3.06854999      -0.37098859       0.29985755      -0.25477739
Li       3.35954999       2.57612000       4.43603995       0.33107817      -0.23154930       0.29821122
Li       7.71358997       4.20416999       4.64162000       0.08910439      -0.85038201       0.02297499
Li       4.45331997       9.64961003       5.88019002      -0.72296951      -0.81687804       0.33566053
Li       1.30053003       9.95254003       4.94136000       0.26372067      -0.29068876       0.83147169
Li       2.29857997       3.14183996       1.73649000      -2.11872518       0.16405848      -0.15457831
Li       9.11793995       1.07518004       8.90424002      -0.45231663      -0.29237451       0.10591491
Li       1.74451999       4.41140995       8.70379005      -1.74787488       0.07805860      -0.37428973
Li       5.20700003       6.60300996       3.53002005      -0.60364326       0.22084709       0.56475675
Li       4.34564997       2.45357001      10.25030002      -0.20843948       1.33183336       1.19825131
Li       4.41273995      10.07790003       2.12014996       0.43402863       0.03410085       0.09743395
Li       4.27866003       7.31417997      10.66900005      -0.38671585       0.04568359       0.03027782
Li       9.68609999       7.80767999       7.42515997       0.29948971      -0.78492761       0.23648572
Li       6.19922996       9.97705995       9.24477997       0.53402829       0.35399773      -0.30188196
Li      10.87790004       3.08436995       3.43090000      -1.41685745      -1.25583929      -0.61273881
Li       5.97384997       4.68914002       8.47782006      -0.00148301       0.35182931       0.03439870
Li       3.43921004       1.21720998       7.30782996       0.31559372      -0.15128573      -0.46589563
Li       0.14246731       6.58406000      10.94180001      -0.70929569       0.02891332       0.66827106
Li       6.71386996       4.79312002       0.55324298       0.80141276      -1.27484384       1.74721236
Li      11.21800000       1.85568000       6.57394996      -0.76566626      -0.14860560      -0.42802192
Li       0.49337705       1.82099996      10.56640002       0.04633550       0.32598430      -1.77743481
Li       0.55297000       9.64583003       8.33742995       0.08170926       0.62030574      -0.40689054
Li       6.45473999       1.74600000       7.25277002       0.30804716      -0.33578808       0.55036250
Li       6.79475998       7.58934996       6.57462996      -0.24678367       0.24894076      -0.01383570
Li       9.48922001       4.34259001       8.03819006      -0.93283687       1.23339523      -0.52755276
Li       2.99957001       6.68509001       7.16696005      -1.52805759      -0.90147269      -0.34663767
Li       7.79632002       6.90132995      10.26239999      -0.02967010      -0.57934487       0.49958270
Li       3.08985002      10.75080004      10.31940001      -0.36122441       0.93372843      -1.58961491
Li       0.37108202      11.31005879       1.77669003      -0.13867592       0.25730985      -0.47529005
Li       9.78767997       9.63172998      11.24030001      -0.54722144       1.63394823      -1.35579102
Li       0.68309002       5.47065001       5.06632998       0.04934328       0.14230861      -0.61573621
Li       9.12612999       2.49693997       0.57724101      -0.00142634      -0.19581754       0.20302139
Li       2.11077000       7.82769998       2.25643998       0.20243452      -0.81145661       0.25462402
Li       8.16071004      11.05650002       5.40370000      -1.48489084      -4.70704068      -2.26953821
Cl      10.47370001       9.42063998       6.29590002       0.48003760       0.93806463      -0.62401699
Cl       3.66571003       9.24117005      11.38877236       0.45778342      -0.74803283       0.75111047
Cl       0.93626697       6.10862997       7.06313006      -0.57057855      -1.01687847       0.71011737
Cl       6.36819001       9.96135999       6.72431002       1.05429099       0.60051365      -0.03157312
Cl       8.21244001       5.99947996       7.10778998       0.62143364      -1.03442697       0.75801625
Cl       3.66923005       4.08208999       8.43497998       2.10220265       0.26894006       0.18567265
Cl       7.74727995       3.13040996       8.78633005      -1.44104451       0.01041238       0.23065715
Cl      10.01149998       4.41531999       4.92123004      -0.49106945      -0.23151861      -0.12048530
Cl       5.79771995       2.20150004       5.24113000      -0.83034787       0.90045309      -0.60550258
Cl       7.44339001       3.03747998       2.00183001       0.53709330       0.69768432       0.08604011
Cl       4.20082005       3.26202996       1.39125995       2.00154938      -0.25886177      -0.12568800
Cl      11.20799776       7.27179996       3.50272000       0.81062833      -0.41894262       0.94297947
Cl       1.84482003       2.33545996       6.79019001      -0.46261539       0.72702036      -0.92858534
Cl       9.79709004       7.96170004       0.85712995      -0.11404487      -0.49524901       0.92304089
Cl       6.71906997      10.66690004       2.43630996       0.67681371      -0.28513128      -0.22913541
Cl       4.66389002       0.99150704       8.91466000       2.84957042      -1.65043750      -1.03723565
Cl       4.72591004       7.41747004       7.53725997       2.51432070       0.56501185       2.19061550
Cl       0.82934896       5.12219997       0.84748203       0.50550920      -0.01314008       0.17510994
Cl      10.67579997       2.79330995       8.52952002       1.72893946      -0.81455773       1.14129823
Cl       2.53561995       1.26414000      10.65539999      -0.43466514       0.84295455       0.68405519
Cl       4.31486001       6.68790996       1.66209999      -1.04627866       0.58697119       0.42078324
Cl       2.67716005      10.66129996       7.02319001      -1.17133811      -1.40504159       0.38283384
Cl       8.12459995       8.38617000       8.81476002      -0.41071572       1.29325452       1.00976017
Cl      11.16559995      11.22660002      10.40189997      -0.45819191      -1.28509158      -0.74612947
Cl       8.81492999       5.25862003       0.13425605       0.56880441      -0.64940234      -0.35401389
Cl       4.27125997      10.83269997       4.19394005      -0.81172987       0.99065699      -0.49270659
Cl      10.16039999       0.94819800       2.77375002      -2.34771936      -1.64334266       2.61148119
Cl       0.12789202       7.78744998       9.30936999      -0.03426230       0.65391762      -0.03890793
Cl       0.32604405       2.00978003       1.09836003       0.81287371       2.38424714       0.07582153
Cl       7.65664003       0.05616727      10.50640004       0.33027460      -0.03544831      -0.19549766
Cl       1.57636999       9.87975997       2.79369997       0.03395097       0.22081072      -0.57005061
Cl       7.02709001       6.18115005       4.48648999      -0.29512008       0.94456020      -0.78062596
Cl       3.08888996       7.46342996       5.18665002      -0.20312191       0.37101767      -2.17753660
Cl       5.55044000       5.68804005      10.68619998       0.28671448       0.09177125      -2.58798683
Cl       8.58897996       1.16930998       6.16907004       2.19875443       4.54906221       2.68934982
Cl       1.35662999       3.51513995       3.83950995       2.32274850       0.44810676       0.24483127
72
Lattice="11.39166288 0.0 0.0 0.0 11.39166288 0.0 0.0 0.0 11.39166288" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.14565487 stress="-0.018450248815414495 0.000568931601027142 0.00017343499860911216 0.000568931601027142 -0.01888247075088015 -0.0040940585418883174 0.00017343499860911216 -0.0040940585418883174 -0.0351342943588158" free_energy=-254.14565487 pbc="T T T" config_type=melt 
Li       7.06493001       8.30332999      11.16613586      -0.56943977       1.29950544       0.00445163
Li      11.10189999       0.83592102       7.17630004       0.00851636       0.72156392       0.10168344
Li       8.39259996       3.64810998       6.26648996      -0.02882126      -0.11889412       0.63033790
Li      10.32880000      10.25589997       5.05607998       0.25029113       0.40255019      -0.13879428
Li       6.99197997       1.48299003       9.02117004      -0.29569371       0.14003413       0.11914635
Li       5.34629000       9.60785002       3.40318000      -0.59056825       0.42231878       0.32605397
Li       8.28364998       4.63589998       0.50461603      -0.43753118      -0.90357759       0.00513419
Li       2.07092001       4.70558996       0.77195604       0.60683370      -0.61578567       0.30975606
Li       1.93600001       1.38318995       2.32737004       0.44403397      -0.60041295      -0.87124909
Li       4.90067002       3.78803001       6.55705004      -1.23681645       0.20301450       0.39903277
Li       1.88420998       8.85443996       2.68629001      -1.12296043      -0.24492130      -1.33507579
Li       0.18902300      10.63510006      11.16169995       0.12964662      -0.50724023       0.93039258
Li       4.96297000       3.32159997      11.17070005       0.02406945      -1.18861731      -0.71968092
Li       5.12611000       9.55335003       8.49592997       1.82702140      -0.56279116       0.12045146
Li       1.46187000       9.46584998       8.10508999       0.51819345      -0.05722254      -0.32952961
Li       8.97960995       9.57086004       8.38666000      -0.49219814       0.02635439       0.18241099
Li       9.57886997       1.50646995      10.77649998      -0.21626751       0.75132647       0.31633942
Li      10.40650003       6.87959996      11.06330002       0.30789999      -0.56216758       0.28281187
Li       4.01472000       0.36451100       5.91566000      -1.05031183      -0.45337251       0.44101032
Li       2.44959005       5.15202000       8.16292000       0.11559542       0.40817410       0.70186772
Li       6.86121997       0.74173202       1.36868004      -0.83801687      -0.44196384      -0.87537623
Li      11.23370004       4.82659995       2.56521999      -0.24731853       0.24663782       0.01291242
Li       3.19030001       6.61104003       5.27772996      -0.13300988       0.36018380       0.30292381
Li       0.85209297       3.18862999       5.37939998      -0.36923692      -0.18997493       1.15442500
Li       7.29150996       6.83992998       6.41535006       0.13485351       0.30166187       0.13432726
Li       1.73123999       2.09440996       9.26376997       0.12858181      -0.58224318      -0.07170792
Li       7.24804997       0.12288597       5.30229004      -0.02499145      -0.36666926       1.53420856
Li       7.31955999       6.99892000       3.02709997       0.26438419      -0.26668760       0.09790023
Li       9.19174003       2.15406001       3.09156995      -0.29284969      -0.77146594       0.37425510
Li      10.95089996       4.99874005       8.51673001       0.29507664      -0.65025768       0.27526541
Li       3.93260001       7.57201998       0.05047031      -1.43868139       0.20541043       0.89308304
Li       3.75018999       0.26481595      11.00150002      -1.14736507      -0.79920151      -2.06550557
Li       9.85817999       9.30191997       2.02639000      -1.00135970      -2.63656737       0.32150522
Li      10.44830002       6.92352997       5.27786996      -2.09267938       0.51490480      -1.22443896
Li       6.91745001       5.08816004       9.21068995       0.24645834       0.16808472       0.11452491
Li       4.23774997       3.90147002       3.39360998       0.19413795      -0.20371642       0.51513762
Cl       5.23507000       3.53913004       9.04889997      -1.22828100      -0.72276673       0.07781589
Cl       1.24138003       3.06121003       3.38902996       0.49097108       0.75323131      -1.33789105
Cl       3.87574001       8.31416995       7.45807999      -1.41124426      -1.16573008      -1.11867995
Cl       4.44675998       4.45464005       1.31159995      -0.57804271       1.43619339       0.98273355
Cl       1.59883002       0.31856398       5.66028000       0.29380543       0.04525947      -0.29458196
Cl       9.83003005       2.74778995       5.07518995       0.97881429       0.06495679      -0.44917962
Cl      10.74960005      10.08019997       7.17362003       0.30222063      -1.06357409       0.22491043
Cl       5.01312999       2.11851005       5.33324005       0.25839853      -0.72969579      -0.90489840
Cl      10.33380003      11.14016994       1.77311996       0.80658517       2.66230876       0.06584065
Cl       1.98639000       2.40381003      11.29040000      -0.07683962       0.03251358       1.00488036
Cl       6.68674002       4.68795999       6.95269001       1.37664070       1.20736964       0.67234962
Cl       9.12259002       8.63389998       4.47049998      -0.63411360       1.88019575       1.18195974
Cl       1.55543998       6.62481004       1.78840005       0.04208313      -0.08425632       0.37537172
Cl       8.19218996       1.01422002       7.08574999       0.11873437       0.68282547       0.74972747
Cl       5.87586995       5.35287005       4.36369004      -0.28508040       1.11038695      -1.42064623
Cl       0.73739897       3.00227002       7.66552001      -1.40481261      -0.16415922       0.40544815
Cl       4.16813005       0.79767602       1.30606998       1.60020178       0.85688272       4.41285805
Cl       0.56532597       6.51757998       6.34019003       2.92864562       0.82811962       0.78716918
Cl       7.01681995       2.43070996       0.05393713      -0.06773711      -0.44291791       0.21302227
Cl       9.47303003       6.12453002       7.51386998      -1.99779552       0.80024928      -0.18484776
Cl       1.61177995       5.35637002      10.19649996      -0.74939599       0.91423318      -1.14944886
Cl       3.88272002      11.00030002       9.09733003      -2.32545339       1.40223853      -1.40173577
Cl       3.39308004       8.77638998       3.96462995       1.21635183      -0.10595997       1.23707795
Cl      10.18019997       8.95516003      10.71380004      -0.28091971       0.26474903      -0.51349132
Cl       8.16530997       6.57842000      11.24400004       0.55815014      -0.08050952       0.25462153
Cl       9.64556998       3.31368003       1.43786002       1.38477581       0.25094598       0.21115117
Cl       7.25284996       9.44103997       6.68767995      -0.97902853      -0.57063944       0.44116589
Cl       8.92200004       3.95104004       9.84509997       1.05968550      -0.42709976      -1.24496292
Cl       7.37813000       0.56969501       3.35258997       0.40003836       0.46078449      -0.19057325
Cl       9.90841005       6.85062003       2.83341003       0.59410858      -2.57145710      -1.90334378
Cl      11.23277983       0.55645300       9.62729001      -0.17547707       0.68592327      -0.67128336
Cl       2.48886999       4.53111001       6.19681000       3.12491606      -0.15746325      -1.83657582
Cl       6.59968003      10.75900000      10.05829995       1.45161030      -0.49386973       0.53590123
Cl       6.85366001       9.05293000       2.14585995       0.43495719      -0.67418658      -1.20523745
Cl       5.40488005       7.12380999      10.16379997       0.38927788      -0.12457385      -0.91399973
Cl       2.03855994       9.73951999       0.57210002       0.51377262      -0.20848252      -0.06261856
72
Lattice="11.36825605 0.0 0.0 0.0 11.36825605 0.0 0.0 0.0 11.36825605" Properties=species:S:1:pos:R:3:forces:R:3 energy=-256.21541789 stress="-0.021442815682109848 -0.00512874753839374 -0.003958280658741217 -0.00512874753839374 -0.02295844162401599 -0.003925055314351021 -0.003958280658741217 -0.003925055314351021 -0.020551507182497018" free_energy=-256.21541789 pbc="T T T" config_type=melt 
Li       3.99386002       7.00928005       8.94309998      -0.14974131       0.23323122      -0.01734389
Li       3.19451997       8.74814996       0.67412701       0.62606051       0.06997281       0.04854481
Li       9.62097999       0.59999200       9.34605998      -0.39896691      -0.81871791      -0.03999978
Li       6.09561001       8.96713997       2.48446995      -0.50910450       0.31468294       0.03566044
Li       9.64380995       6.50526000       4.13141001       1.16248583       0.33411722       0.37659154
Li       6.88384998       2.94397997      10.45740000      -0.05605319      -0.31481090      -0.12343636
Li       0.83215805       3.29774998       7.39752998       0.08045768      -0.11067348       0.16912831
Li      10.79110004      10.05459995       6.54422004       0.67107067      -1.45863822       0.19152686
Li      10.28419996       8.55479002      10.48249997      -0.63540305      -2.80282132      -0.74495166
Li      10.80170002       1.74788994       4.43284000      -0.09317579      -1.08629541      -0.39328874
Li       7.17842003       9.30864000       9.18723998       1.44147847       1.06596279       1.15096777
Li       9.20765999       4.06129003       6.98844999       0.49429032      -0.03091212      -0.13729572
Li       8.22820003      10.14030000       4.90974004      -0.04716095       0.42804834      -0.27714642
Li       7.63871003       1.42473999       6.66606000       0.97950787       0.35889705       0.48370615
Li       1.97923998       9.94930000       9.61532997      -0.35070271      -0.60974860      -1.17365785
Li       2.13249999       3.51407005       4.02032998       0.19008506       0.23554128      -0.71150526
Li       5.02151001       0.05864667       8.78689002       0.58106592       0.21239449       0.32226243
Li       3.31196997       3.68981999       9.74323001      -0.70947607      -0.84818238      -0.31189231
Li       5.51253000       5.31568000       2.29716997       0.33718020      -0.02861645      -0.15353894
Li       0.48183205      10.59080000       2.52378001       0.40230772       0.15161038      -0.27304944
Li       7.23326004       3.39028998       3.08250001       0.62865635      -0.12891330      -0.03350993
Li       5.06778995      11.16259998       0.35825297       0.31534689      -0.16447795      -0.42719507
Li       2.76092002       1.22253998       7.18463994      -0.54889295      -2.21753185      -0.30475717
Li       0.72592101       6.35301995       1.11492000      -0.08074872      -0.42303437      -1.45214061
Li       4.67565003       0.40232304       3.87438999       0.64149120      -0.13224430       0.24821208
Li       8.14599004       6.33576999       0.69390096       0.43565381      -0.52505248       0.28984840
Li       6.86070001       6.30032002       8.86285998       0.25315428      -0.75720931       0.05497223
Li       0.64486603       6.91846996       8.33235998       0.24476609       0.47636483       1.44730089
Li       3.43416997       9.31839999       5.88588001      -0.11845161      -0.22656780      -0.03155528
Li       8.36209001      10.42409999       0.83424401       0.54224249       0.60309206       0.06152470
Li       1.38777997       7.55454003       4.82907999       0.35207044       0.47465014       1.35772854
Li       3.24207997       2.22383006       1.17761002      -0.29273392      -0.21146089      -0.38926152
Li       0.47982305       1.27501005       0.20107705      -0.41687697      -0.91776501      -2.29196500
Li      10.97150005       4.09960003      10.23199999       0.23304534      -0.44307096      -0.43969727
Li       5.69908001       7.03003996       5.78995000       0.38046060       0.51890070       0.01479389
Li       5.05939995       4.18078996       7.32389005      -0.29820289       0.10767889       0.00212764
Cl       2.02039000       6.54046999       9.95995001       0.43161117       0.51972901       1.20733287
Cl       4.00540005      10.61490002       2.16658998      -0.96277436      -0.61380032       1.38400782
Cl       8.68103996       2.62474002       8.81076995      -0.87167710       0.24635823       0.13767447
Cl       8.00232995       8.37296000       0.09204354      -0.79686898      -0.39718325       0.18819953
Cl       4.52193995       3.34452001       2.72193997       0.06080122      -0.20536270       0.61173711
Cl      10.53949995      10.27760000      11.14902605       1.23225457       3.47478507       2.64524023
Cl       7.87753003       5.75513995       3.52285998      -2.32359203       0.35671445      -0.59291679
Cl       1.01118000       6.44630002       3.16816005      -0.51312886      -1.07666182      -0.19470589
Cl       5.67082000       0.90950198       6.29697002      -0.62136025       0.50945515      -0.04293160
Cl       4.81295003       8.93294005      10.21739997      -1.66251908       1.13757457       3.21069601
Cl       7.26668999       0.03224390      10.21470001      -0.16025826       0.16514662      -0.74544781
Cl       4.45411000       7.14011003       2.28035996      -0.06795113       0.53433184      -0.21037999
Cl       5.65694004       9.60261003       4.82244002       0.34204124      -0.92202413      -0.01118141
Cl       4.42105998       1.66202005      10.53339997       0.41057216       0.24423357      -0.13385682
Cl       6.71389001       0.06185911       1.95491998       0.64522844       0.46653129       0.64496642
Cl       9.69266003       0.40734405       6.27406003      -0.93977282       1.06548738      -0.48276434
Cl       3.53494001       6.81065001       6.29895003       0.25167620      -0.56705641      -0.42713025
Cl       9.80312003       9.51749999       8.65960000      -1.20379001      -0.37910435      -2.10882955
Cl       1.74048000       3.54195001      11.09643400      -0.51918566       0.73843686       0.46935743
Cl      10.18990005       6.09904004      10.68620002      -0.18775775       0.54937012       1.10332715
Cl       4.96186998       4.80136998       9.52646999       1.80029998       1.54204254       0.50264766
Cl       1.12437998       9.68576996       4.52284998       0.55650257       0.61636516      -0.12010898
Cl       1.05806996       1.81495004       1.96181006       0.55980209       0.40196285       3.46002082
Cl       5.98151001       8.08782003       8.18134997       0.74882129      -1.95525992      -4.15653619
Cl       9.51643001       3.40975004       4.39807996      -0.28594309       0.31039611       0.61153469
Cl       0.06518899       1.78393004       9.12903997       1.43547753      -0.14973930      -0.19606503
Cl       7.09773997       4.55072995       7.21661998       0.15203592       1.15901003      -1.01487337
Cl       3.30697998      10.49029996       7.86162005       0.14101404       0.99934886      -0.40751249
Cl       3.27083996       3.06721005       7.41794998       0.11625202       2.19924769       0.84444854
Cl      11.15300005       5.28983996       7.90908001      -1.49497973      -3.15178853      -1.69325256
Cl       1.27130002       8.50100999       7.48180002      -0.12509817       1.84687200      -1.19667560
Cl       2.23009999      10.77529998       0.08594390      -0.89904191       0.21028536      -0.21203844
Cl       9.80115002      11.21550000       2.68401001      -0.51344572       0.13270542       0.91060056
Cl       7.86743002       4.08924003       0.89056599      -0.63083668      -0.48269227      -0.41421779
Cl       1.45086004       2.01830995       5.41774000      -0.52434985      -0.42746896      -0.18473545
Cl       9.36923997       8.34764005       5.33955005       0.13275479      -0.42664834       0.08666054
72
Lattice="11.34753257 0.0 0.0 0.0 11.34753257 0.0 0.0 0.0 11.34753257" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.37145334 stress="-0.030523057736032595 0.006248817814480994 -0.0029165694713899548 0.006248817814480994 -0.03560003118852151 -0.0048709041429547744 -0.0029165694713899548 -0.0048709041429547744 -0.03270818696869603" free_energy=-250.37145334 pbc="T T T" config_type=melt 
Li       1.01316002       8.51673000       0.67584996       0.49285329      -0.31578618      -1.40087811
Li       1.56814004       9.92876998       9.44214001       0.41735415       0.56374733      -0.18248271
Li       1.85349996       3.04686004       3.93097002      -0.09233268       0.01636256      -1.40303863
Li       2.84991998       5.12125004       1.10480996       3.45596461       3.14801130       0.63328659
Li       7.73601000       4.16952001       0.87162395       0.41049379      -0.17998575       0.21766452
Li       8.55709000       2.29094995       9.36407000      -0.55404035       0.37761280      -0.92661392
Li      10.59870004       3.55121996       1.72633996       0.72620480      -0.53311700      -0.58010582
Li       9.60172002       8.32958003       7.38711003       1.47885906      -0.11542178      -0.29972080
Li       3.72401996       1.01824996       8.74540003       0.30034636      -0.23882531       0.52000497
Li       5.13385000       7.16878997       6.49668004       0.00905768       0.32391711       0.02323538
Li       6.35933995       9.55207002       2.89889003       0.75834282       1.31046279       0.83090339
Li       6.91899004       6.55062996       8.93327999       0.78778006       0.04734953      -0.21039281
Li       8.16033998       8.67578996       0.62897399       1.07894933       0.43368143       1.14379322
Li       2.99519995       7.53518001       3.27387004      -0.13270109       0.51313013       0.03426586
Li       0.99084203       3.34338003      10.11980001      -0.04889458       0.34428893      -0.15409826
Li       9.04152002      10.02730003       4.74576995      -0.41579969      -0.14092382      -0.22642451
Li       9.93956999       5.35797001      10.50000000      -0.31248167       0.21309203      -1.84124324
Li       5.91313000       2.80876997       6.74131004       0.05369071      -0.08131896       1.73866993
Li       6.11953005       0.50609496      11.11040000      -0.94965049      -0.08492380       0.16082326
Li       5.22176002       3.98103000       9.70335998      -0.03916340       0.79056084       0.25352926
Li       4.18813995      11.30560003       4.64266003       1.74173382      -1.55913605       0.83906592
Li       9.57785003       0.37277201       1.17249004       0.11667088       0.82859505      -0.16347908
Li       8.70335005       2.52738997       4.51276006      -0.70918529       0.36956844       3.11536076
Li      11.03769999       6.50102002       2.75034005      -0.37229975       0.47468472       1.01600964
Li       5.04546997       2.51664000       2.85112997       0.11700154       0.16563971      -0.36063254
Li       1.64981004       9.20200999       6.53522001      -0.14754522       0.17236867      -0.19690947
Li      10.10920006       0.14206748       9.03043995      -0.09836836       0.31468286      -0.33014817
Li       2.55684998       5.83752003       9.04901995       0.84184580       0.59847422      -0.01527973
Li       0.88479605       1.74827996       6.97273003       0.16487280      -0.35040932       0.38803353
Li       7.75538001       5.50370002       3.86180000      -0.61463389       0.98587220       0.90771976
Li       6.92246999      10.08379997       8.56316002      -0.51765618       0.46821444       0.63834929
Li       0.95868301      10.95840003       3.90292005       0.07830747      -0.56913323       0.16917092
Li       3.24187000       4.68325004       6.39600995       0.10098369       0.43382807       0.49665673
Li       4.99132999       8.62234001      10.96130001      -0.66272648      -0.25199494       0.33820148
Li       0.43294400       5.72013003       5.82024001      -1.07601169       0.20069393       2.01700841
Li       1.87914005       0.85858404       1.11277002       0.41562773       0.03020557      -0.38748692
Cl       7.60538005       8.37535995       7.51494997      -0.29434328      -0.81074232      -0.43413266
Cl       0.61720898       1.53198998       2.74519996      -3.42012033       0.26509352      -1.50096818
Cl       7.06650002       8.07803995      10.42489999      -0.03156821       0.26463121       0.39084481
Cl       0.56487098       1.26111995       9.79823999      -0.40222737       0.12347594      -0.22554758
Cl       1.23665001       5.67916998       4.06912997       2.03748106       0.90241392      -3.92531321
Cl       8.58394995      10.30999998       2.40405001      -0.59947513      -1.40633188       0.14707750
Cl       2.82673005      10.71829997      11.09190001      -1.83671469       0.00593918       1.96417140
Cl       6.03995003       2.43224000       4.80335005       0.87819275      -1.77394881      -1.66829967
Cl      10.86530000      10.61170000       5.95031995       0.25641556      -0.69683032      -0.03334187
Cl       0.30684795       8.82258005       2.53880003       0.02044373       0.61675129       1.26235922
Cl       2.92311996       2.99635002       8.02238995       1.27299516       0.23354730       2.00899948
Cl       9.47723997       3.40831005      10.90990000       2.38591797      -2.39396740       1.49186273
Cl       7.42305005       4.82438997      10.14409996      -0.94644375       1.30610758      -1.51169770
Cl       0.55680799       5.39241999       9.24284999      -1.46991014      -0.49375571      -0.33242974
Cl       8.95865001       2.14540003       2.71632003      -0.08012368      -8.08481074      -3.61770001
Cl      10.77760002       9.64592002       9.93099999      -0.20446077      -1.40797186       0.02172083
Cl       5.31690999       0.63685201       1.80633995       0.24919853      -0.49028906      -0.13777079
Cl       9.01457996       4.36947000       2.82470996      -0.01435518       7.05267922       0.65977819
Cl       2.80802001       6.87542006      11.26799998      -0.07880218       0.93112658      -0.11027239
Cl       2.47034002      11.11390004       7.44872997      -0.62356635      -0.09255251      -0.30379892
Cl       4.74667004      10.21490005       9.41756000       2.34851963      -0.19016709      -1.60164690
Cl       1.67475998       3.81337997       0.90844601      -2.82409533      -3.79367837      -0.41227175
Cl       8.08259996       0.39427399      10.33150004       1.89540521      -1.67353885       0.39330191
Cl       5.00458005       8.43938000       1.97811005      -1.06883616      -1.30651677      -0.65235441
Cl       5.65855004       4.26223003       1.26943996      -1.53903587      -0.02662153       0.75764422
Cl       9.69596003       6.73170004       5.03405004      -0.35729494       0.39010559       0.60620847
Cl       1.53560995       3.62380003       5.81920999      -2.21079860      -1.01013024       0.61217166
Cl       6.19522002       9.40147000       5.14821995       0.18111338       0.42796303      -0.45962000
Cl      10.54900001       6.25974004       0.76801995       0.20357629       1.37489373       0.57479097
Cl       2.82359995       1.09866005       3.85721004       1.78858207       0.63676687       0.77468599
Cl       5.34183995       4.80333996       6.06213003       0.35311246       1.94353393      -0.53803163
Cl       6.03164000       2.03187000       9.37849000      -1.06688295       0.31144432      -1.23612006
Cl       3.02355005       9.23992005       4.85572005      -0.08518076      -0.10464565      -0.83973387
Cl       2.08360999       7.02700005       6.95015003       0.10411649      -0.25963584       0.30211667
Cl       4.90000005       6.25986997       8.67912000      -1.50527130       0.03204853       0.26595513
Cl       9.04336002       1.63479000       6.92793995      -0.11901288       0.49354471       0.50454408
72
Lattice="11.33703929 0.0 0.0 0.0 11.33703929 0.0 0.0 0.0 11.33703929" Properties=species:S:1:pos:R:3:forces:R:3 energy=-248.05943538 stress="-0.03722138781442391 0.0054978637346497486 -0.009351214089317463 0.0054978637346497486 -0.03373043241201189 0.0021257272923502143 -0.009351214089317463 0.0021257272923502143 -0.03764090496457705" free_energy=-248.05943538 pbc="T T T" config_type=melt 
Li       4.47673006       2.45632000       7.40282999       1.10751552       0.75583005       0.60759221
Li       4.72401004      10.42780001       5.47544000       0.37087954      -1.25749453      -0.57734789
Li       2.66458006       2.45627001      10.86970000      -1.50613946       0.62396082      -0.23994958
Li       3.46713995      10.99680000       9.54512001      -0.54605350      -0.55426127      -0.50380866
Li       4.81304004       4.09598001       1.85609996       3.51321923       0.07152041       2.66354044
Li       8.24741005       7.75734997       7.29976995       0.11634110      -0.03467082       0.14886285
Li      11.17340001       2.24058000       9.95776001      -0.21408022      -0.52682997      -0.67684186
Li       9.98868995       6.55508995       4.86393994       1.39319058       0.70090113       0.27459951
Li       1.25569002       4.23994998       2.35579006       0.12770264      -0.13391567       0.07121523
Li       1.88261004       5.75442005      10.53219997       0.05108735      -0.23423988      -0.46650789
Li       9.85574004       3.77494998       0.44145501      -1.97627781       0.42788178       0.76503532
Li       2.33198998       4.61248997       6.98577999       0.62011124       1.07307486      -1.08987801
Li       8.15516997       9.40783005       3.69348995      -1.14139899       1.01577840      -1.57596909
Li       1.43879001       7.88231997       6.58204999       0.60676584      -0.18635143      -0.00582381
Li       7.46216000       2.25520002      11.31476915       0.15926616      -0.28393840       1.20644047
Li       4.98441004       7.95785005       1.71543995       0.25347467      -0.36358062      -0.14326809
Li      10.54690003       5.05251005       7.75888002      -1.27995237       0.66732232      -0.73144105
Li       0.74444102       1.33490996       6.67931998      -0.80190011       1.24189274      -2.30452496
Li       6.36775002       9.87944998       9.75623994       0.24215983      -0.20468446       0.71227257
Li       2.09145996       1.27416996       3.74471999      -0.21794552       0.35309286       0.02522913
Li       7.68302004       4.19793004       7.08928002      -1.02369125      -2.01953595      -1.86942596
Li      10.76250002      10.25100002       9.91465999      -0.42765952       0.36486502      -0.34242006
Li      11.06709996       9.57506997       4.77265002      -2.01988110       1.96949255       0.41896474
Li      10.34990004       0.21340605       1.70964004       0.03759225       0.88453238      -0.22014761
Li       0.13626067       7.55027000       1.57156998      -2.45680745       0.16436347       1.01622369
Li       6.13240000       1.89019996       4.06905999      -0.18053516      -0.57149343      -1.33691370
Li       7.80418000       6.44445994       2.57393997       0.63449974      -0.33733318      -0.31502360
Li       5.50865005      11.20039996       1.93760001      -2.21332645      -4.77391617      -0.19542353
Li       8.32770996       8.18674000      11.14179994      -0.58967259      -0.32954996       0.60430015
Li       2.49854005       6.56382004       3.64304999      -1.61127065      -0.50796232      -2.77626342
Li       1.73737996       9.69043999       1.30482996       0.88998312       0.46221492       0.04541481
Li       7.85866003       0.67968203       6.65774004       1.99540849       0.98590164       2.19466418
Li       5.33880000       4.88266000       4.97708994      -0.53740368       1.32407609      -0.29500032
Li       4.43752997       7.24636002       8.40839998       1.64868950      -0.17062215       0.07360086
Li       9.55078003       3.20687996       4.11677996       0.04455228       0.32499184      -0.07087623
Li       6.50236002       4.89922999       9.96046004       0.21716779       0.00522800       0.10136143
Cl       8.54834994       9.03019996       9.24913996       1.79455912       1.44952537      -0.13223566
Cl       8.36674996       5.29942000       4.83307996      -0.78031753      -0.07376740      -0.54240974
Cl       9.00994997       9.01844005       5.25941997       0.41378345      -0.87378589       2.69155259
Cl      11.11620000       9.63840004       2.27510004      -0.70329338      -1.00770229      -1.76041488
Cl       1.86260005       7.24079002       0.81421800       2.35648773      -0.11289025      -0.29539262
Cl       6.52405004       2.25171003       9.52982000      -0.84044712       0.25258004      -1.50914948
Cl      10.72970004       7.43896997       6.92474001      -0.38494726      -1.05815176       1.30400484
Cl       0.99484901       4.55589002       8.57175005       0.50732057      -1.95466526      -0.92152917
Cl       7.26304996       4.45661996       1.68159005       0.44064322      -1.00742285      -1.16092603
Cl       3.90882000       0.96517294      11.05922424       1.11866123      -0.52516958      -0.10900285
Cl       5.42036002       4.82558005       8.02074998      -1.92427321       0.25083296      -0.48988310
Cl       4.01422998       0.80003604       6.23623005      -2.26508506       0.53206393       1.05280883
Cl      10.74200004       2.93154001       2.22711001      -0.62745294      -0.93699453       1.17243318
Cl       0.65710398       0.52861202      11.06780003       1.22765174      -0.93376778       1.88641810
Cl       3.21926998       6.90886997       5.28993996       3.80339580      -0.35475636       3.94838250
Cl       0.72519299       5.24804994       4.41360996      -1.55003832      -0.03597666      -0.17092817
Cl       9.61973995       2.74956001       6.27233999       0.20836272      -0.60669633       1.03491955
Cl       8.32885001       5.51444996       8.27062003       1.80696029       1.79534903       2.07770633
Cl       0.33780795       3.97896000      11.10249998       1.70362274       0.70518422       0.27600020
Cl       6.74204997       0.21986068       5.22292004      -0.58171530      -2.33840347      -2.35463793
Cl       7.35883003       9.65540004       1.91066003      -0.15290364      -0.12949533      -1.55153201
Cl       5.97005995       8.88245000       7.91150004      -1.36226501       0.63033345      -1.92408022
Cl      10.87599999       0.30210296       4.20306005       0.48730127       1.90518555       1.07939076
Cl       5.73240998       6.59204994       3.07075999      -0.99878925      -0.15674483       1.07450877
Cl       3.03003995       3.58636003       3.95250003       0.94767284      -0.84847898      -0.03526591
Cl       6.37231001       7.14407000      10.30530001      -0.61543448      -0.57562686       1.29647665
Cl       0.92317001       0.24246095       8.21799996       0.45295308      -1.58726408       1.04700702
Cl       6.02981998       3.05064003       5.65722999       0.48513798       0.95127886       1.22958491
Cl       9.25044995       1.06730006      10.39559998      -0.65194026       0.28410929       0.32620078
Cl       2.43945004       6.92746997       8.37395000      -0.35279112       1.00001661       0.86533125
Cl       6.15084004       1.51584004       1.93116000       1.94839628       4.62101513      -0.14024144
Cl       4.52118996       9.46420994       0.47356072      -0.68113946       0.73503873      -1.40182614
Cl       9.64180001       6.66294997       0.60352502       0.17056269      -0.33095746       0.59910304
Cl       3.39407001       4.00652998       0.73801405      -2.89835646       1.02344263      -2.40912982
Cl       3.25582003      10.91849995       3.14722004       0.40868242      -0.48909432      -0.01385073
Cl       1.06697003       8.34230005       4.49259998       1.80342359      -1.12468461      -1.23185569
72
Lattice="11.34295085 0.0 0.0 0.0 11.34295085 0.0 0.0 0.0 11.34295085" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.73922248 stress="-0.020950948780690138 -0.003920913436412067 -0.00022012587465163443 -0.003920913436412067 -0.02971494419025291 0.001234004019489934 -0.00022012587465163443 0.001234004019489934 -0.022700346932936596" free_energy=-255.73922248 pbc="T T T" config_type=melt 
Li       2.69488004       2.53376000       4.90072997       0.85101764      -0.25401344       1.32525608
Li       1.77346004       2.52259003       1.66018003       0.29621937      -1.20899218       0.20384308
Li      10.18759996       3.46016001       8.61611000      -0.45923407      -1.14363685      -1.37541693
Li       4.97985000       5.69293005       9.49358004      -0.25864076      -0.71800762       0.84130983
Li       5.71927995       2.21553998      10.20240001       0.70230267       1.45226766       0.77939632
Li       8.37734996       6.15474003      10.46239996      -0.77991474       0.18506395       0.79710104
Li      11.18140001       5.32488997       1.26649003      -1.51480856       0.97082938      -0.62648802
Li      11.01959996       6.78635002       8.26045995      -1.04957260      -0.47323621       0.74898895
Li       4.63849002       0.38398804       0.55132299       0.58906630      -0.69146817       0.00004038
Li       4.32980001       0.78001401       7.10601003       0.49200940      -0.58580773       0.45225744
Li       7.05350997       6.54490998       2.80499004       0.25003519      -0.34846114      -0.70875292
Li       3.00585997       6.18839003       6.87763003       0.17709213       0.87688332      -1.93890117
Li      10.16820000       8.98382998      10.60150004      -0.61377670       0.56288189      -0.27399863
Li       2.54378003      10.90720005       2.84445001       0.11591488       0.10029514       0.07196288
Li       1.55239001      10.83170001       9.95670002       0.28140485      -0.54309349       0.20347714
Li       4.66810000       8.21912998       4.99874996       0.31313451       0.30181079       0.16266987
Li       2.44855006       7.19459995       9.88465005       0.22164560       0.28764047      -0.25694944
Li       9.80927001       4.39240005       4.41407995       0.32444487      -0.02964154       0.52397463
Li       5.15831999       9.09374000       9.53976003       0.60835778       0.89625990       0.02548245
Li       4.35476006       4.78724998       1.49089999       0.24325334      -0.37426523      -0.14516852
Li       7.23608996       2.65934995       7.56342994       0.59193802      -0.84331655      -0.79354940
Li      10.71289995       1.76078997       0.22946302      -0.42534319      -0.48448650      -0.02243722
Li       7.82909002       2.93821004       1.83488995       0.32446485      -0.06183708      -0.21945793
Li       0.27644303       8.48382000       2.19023998      -0.44873395       0.31450933       0.12724345
Li       2.00823996       3.15831002       9.60394003       0.66171211       0.30872340      -0.60852055
Li      10.31769998       0.25227505       7.18378002      -0.27754408       0.24191003      -0.87755237
Li       7.75981000       9.29923003       2.29336998       1.44834367       1.73194744      -2.82402290
Li       3.72223004       8.29989995       1.54044997       0.29848642      -0.08523996      -0.54429619
Li       7.90207000      11.19017582       9.98406999      -1.92530920      -0.45372478       0.69751762
Li      10.02020001       7.44203995       5.11982995       0.66773039       2.29575921      -1.38475843
Li       1.68126998       5.39355997       3.79150995      -0.34354848       0.84519521       0.03236270
Li       1.77427004       9.40810999       5.51836998      -0.47796387      -0.30501152       0.15127585
Li       5.28928003       4.54012996       5.07294999       0.82066990      -1.25453002      -0.43467807
Li       7.49495005       6.95022004       7.45293996       0.31886309      -0.10619612      -0.14230682
Li      10.19069999       0.71591000       3.87477005       0.37952734      -0.29326413       0.32017042
Li       6.26051997       0.09828349       4.49481998       1.06433748       0.76496338       0.61135229
Cl       9.63441003      11.21330001       9.13447004       3.31734499      -0.83215139      -0.05815093
Cl       5.00272000      10.56669998       3.05806998      -1.65381925       0.63462914      -0.64009080
Cl       6.39664003       5.88270000       0.55424902       0.11794083      -0.17770813       0.39510816
Cl       7.92606998       1.90372000      10.33079995       0.52683252       1.28667375       0.97178004
Cl       3.17918003       4.58298000       4.83096004      -0.30131907       0.40915192       0.24600084
Cl       1.50921001       4.48862003       1.95145998       2.49224342       0.13555502      -0.25062506
Cl       0.76306900      10.77769996       1.38778996      -0.47485916      -1.14180692       0.56181848
Cl       9.03199998       7.72097003       9.11903001      -0.63450238       0.80670303      -1.41998825
Cl       3.38713999       9.85620000       6.97965001       0.75419573      -0.24781952      -0.38446911
Cl       2.42267996       1.55997006       7.03318000      -2.13880072       0.86165009       0.74122238
Cl       2.66600996       5.40064001       8.62369004      -0.62691450      -1.98715288       1.42636513
Cl      10.26939999       3.38150005       1.66983005      -1.00920099      -0.73963734      -0.11904729
Cl       6.82241005      10.23500000       0.26394911       0.50841903      -0.39833338       0.21521517
Cl       6.24307995       3.93082997       8.90934003      -0.56027030       1.25712507      -0.29832394
Cl       7.89714001       4.62492997       3.45809004      -1.17127235      -0.10743174       0.21634243
Cl      10.48617580       9.71232000       4.44481004       0.64095730      -0.05761559       0.02764104
Cl      10.04519999       4.95224999       9.91072998       1.33084361       0.04770659       0.85150014
Cl       8.39502001       0.94313199       2.76636003      -0.79637376      -0.31097687      -0.21798127
Cl       2.83518996       8.15661001       3.60773997      -0.53960766      -0.05682613      -0.01547851
Cl       4.81214005       0.64383496       9.47098000      -0.49986124      -1.02872454      -1.60676726
Cl       5.07232000       2.31548998       5.63567004       1.30104264      -0.50242579      -0.41748316
Cl       9.61922999       6.01652005       6.31389003      -1.41686784      -1.81490772       1.74066227
Cl       9.60817004       2.80093005       6.47234005       0.80774802       0.58180391       0.38243643
Cl       5.47666002       7.38884004       8.41385997       0.48912464       1.49860855       1.78551640
Cl       4.26842001       2.53205005       0.79934501       0.61938858       0.83600588       0.74340618
Cl       0.87287103       8.50899999      10.38340005       0.12566687       0.11232873      -0.18783544
Cl       3.28333997       6.09630001       0.17544913       0.15640985       0.94444559       0.30652443
Cl       3.91150000       9.72760995      11.07552887      -1.94618968      -0.76940889       1.08350914
Cl       1.68274003       1.50977999      11.01709997      -0.81455198       0.73864097      -1.32048431
Cl       9.31689997       7.71035995       0.78858100       0.25787094      -0.16654028       1.68005639
Cl       0.96795003       7.64386996       6.95028004       1.12848928       0.58635718      -1.15590710
Cl       5.25781003       6.25340000       6.13527995       0.54608952       0.51587453      -1.77232886
Cl       1.40964998       1.51586004       3.73874005      -0.84892306      -0.85840980      -0.71806817
Cl       6.93473997       8.45646999       3.75233004      -0.93425213      -1.71103665       2.93045710
Cl       8.22582005       0.26714918       6.25995997      -1.33737368      -0.87333995      -0.32426654
Cl      11.18229996       6.36124004       3.52558003      -0.88322959       0.65028330      -0.29669309
72
Lattice="11.31773756 0.0 0.0 0.0 11.31773756 0.0 0.0 0.0 11.31773756" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.62764347 stress="-0.026061524926727978 0.005457119849641986 0.0013500947473069006 0.005457119849641986 -0.02889323946500069 0.0033945929177797676 0.0013500947473069006 0.0033945929177797676 -0.011700383020593381" free_energy=-255.62764347 pbc="T T T" config_type=melt 
Li       5.58717001       4.61766001       1.10373995      -0.69335247      -1.06369149      -0.66046801
Li       5.32686997       9.19038997       8.82903000       0.50433024       0.36542495       0.01186833
Li       3.97083999       0.73032998       7.01103997       0.11537832       0.00993241       1.08237138
Li       0.86844701       5.16302998       4.30081995      -0.26713074       0.23749281      -0.57115612
Li       2.73810998       5.14080002      11.11070004      -0.07285215      -0.14059395       0.24005557
Li       7.40077000       0.42653395       6.68098996      -0.02961420       0.10123985       0.10434300
Li       1.04687001       0.48733804       6.52885002      -0.33256631      -0.16849011      -0.35910586
Li      10.99840001       8.47732994       5.85019004       0.22575177      -0.18069014      -0.22814243
Li       0.49944497       0.58984596      11.16739998      -0.02093844      -0.42942974       0.51623983
Li       7.92565996       6.92521994       0.18192199      -2.91029533      -0.45366608      -0.08422063
Li       0.06014913       8.40454999       1.14424002      -0.02941791      -0.19202949       0.38205480
Li       4.92197994       6.14435004       3.70702002       0.34521079       0.20090155       0.15617528
Li       9.35505999       3.35324000       9.81454995       0.02410060      -0.04280869      -0.01580999
Li       3.39645995       8.56093000       5.64500998       4.40537725      -3.76239404       1.52901122
Li       8.34668002      10.49529998      11.24680002       0.08484566      -2.61137635       1.13483853
Li       9.41563999      10.52259995       3.82894001       1.35499740       0.15826884      -0.07515852
Li       3.21394004       4.77368996       6.67588996       1.44651452      -0.31279144      -0.21521959
Li       2.55557004       2.13054995       9.70453000       0.10699577       0.13426406       0.46331419
Li       6.05732003       2.14857005       9.70545002       1.36336946      -0.84107038      -0.37831430
Li       0.64202605       4.42636999       7.67501994      -0.36689749       0.59560810       0.53803997
Li       9.64988004       7.06194998       9.37579997      -0.35446188      -0.49366817      -0.39770454
Li       5.47348005       6.07288995       8.58460999       0.32946830       0.05600086       0.36910513
Li       7.57825996       8.02091003       6.19882004      -0.65535022      -1.40345059      -1.38829197
Li       1.64143004       8.36041002       9.21884004      -0.11119471      -0.08411956       0.70138583
Li       6.22371997       8.77483003       1.56488999      -0.45508325      -1.64066316       0.16571911
Li       2.21297997      10.59429997       3.35503997       0.02237130      -0.22222503      -0.32602424
Li       1.51056994       2.36061997       2.55361003       0.28948917       0.20258138      -0.69797808
Li       4.28225003       0.35662101       0.55616404       0.28708248      -0.84171559       0.00696271
Li       8.46305997       6.28303001       3.62828003       0.19030176      -0.22194128       0.03687344
Li      10.72789997       4.95329001       0.75193702       0.46164962      -0.91573261       0.49212633
Li       9.89355002       2.40791001       5.32647996      -1.31591177       0.64080318       0.45034735
Li      10.37859996      10.95259996       8.50422994      -0.43878005      -0.41974622       0.09586885
Li       6.23789001       2.37916001       4.28637999       0.76351927      -1.12582160       0.98596099
Li       6.62779003      10.20390004       3.95075995      -0.73097194       0.30672676      -0.14252344
Li       8.05908997       4.67787004       7.14572003      -0.17233847      -2.17189307      -3.58997771
Li       8.60433001       2.31224004       1.44226004       0.89770540      -1.68935851       1.03522362
Cl       0.18592394       1.75775997       4.31363004       1.71930170      -0.97627856      -0.31988763
Cl       2.07362003       9.61906003       5.26443001      -3.95062064       4.72544681       1.24810231
Cl       1.61191994       4.64876998       2.04157997       0.39832423       0.60510511       0.25263592
Cl       0.46734096       8.48090997       3.39642995      -1.09463500      -0.89205047      -0.87851542
Cl      10.00589996       4.38203004       3.19927995      -0.58884122       0.26122199       0.36850577
Cl       6.98051999       8.30238998      10.05929999       0.23687723       0.32411484       0.96654639
Cl       7.68254001       9.52481994       7.39360994      -1.31215245       1.88914321       1.23128938
Cl       4.45452003       1.10288998       5.07532001      -0.07240648      -0.70033989      -0.82297734
Cl       9.98622996       3.38845004       7.43595005       0.82297944      -0.72759037      -0.15530999
Cl       2.33371002       3.02441999       7.55454998       0.09995665      -0.80367304      -0.25132832
Cl       7.96241997       0.77166994       4.05537002      -0.21197568       1.09130596      -0.00965074
Cl      10.99479995       8.63897994       8.84727000      -1.00013134       0.79147075      -0.73888876
Cl       4.60057000       6.46656003       0.06346240      -1.21474078       0.14060010      -0.56527529
Cl       8.79876999       6.29549005       6.02468997       1.72892883       0.52318760      -1.49228634
Cl       4.62428994       3.49017002      10.06910001      -0.30668591       1.92845442      -1.11954281
Cl       3.22942995       2.12053002       0.71362602      -0.16082471       1.65684280       0.79891091
Cl       7.98889996       3.79927996       0.38896099      -0.76482321       1.45067666      -1.22794919
Cl       4.78760999       8.82311003       3.86613994       0.20328099      -0.32355397      -0.51772962
Cl       1.13191998       0.27204695       9.11251001       0.58460648      -0.16493694      -1.21238689
Cl       5.12791002       0.18433301       8.98706998      -0.67713497      -0.07966445      -0.24438615
Cl       8.03318005       5.45922004       8.75875002      -0.65574009       1.80349236       4.99587036
Cl       6.70236000       6.08344001       1.97970001       1.48201819       1.90032767       1.81370696
Cl       8.10010998       0.83957603      10.41190003       0.17602805       2.86330734      -1.97999820
Cl       1.95572995       6.33666997       6.28667998      -1.34396747      -0.00413450      -0.77899365
Cl       6.34790996      10.78780000       1.33856003      -0.17686424       1.01415024       0.17530800
Cl       6.92679005       2.76889004       6.78717999      -0.32723346      -0.68573613      -0.07377928
Cl       8.25931003       8.79940005       3.76505998      -0.29165135      -1.32155537      -0.32792136
Cl       5.07852994       3.84928998       3.71221996      -1.21908357       1.73791641      -1.01814085
Cl       5.65644995       6.39536999       6.17731996      -0.80104616      -0.12707400       0.31398679
Cl       2.07200997      11.01560003       1.19995000       0.23907000      -1.79356164       0.53825914
Cl       0.30624904       5.62687999       9.96150002       1.90526709      -0.81871410      -1.49470673
Cl       3.46117002       8.11151995       8.44321002       1.37357145      -0.13238874      -0.62001010
Cl      10.48509998      10.34659996       0.72720097      -1.24647036       0.13879660       0.01851137
Cl      10.01860004      10.51499997       6.18311001       1.44728860       1.11757576      -0.17170846
Cl       0.05170995       2.64661999      11.12149999      -0.74545956       0.58476908       0.10703274
Cl       9.80265999       6.82150997       0.24186198       1.48368796       1.42346899       1.82491705
72
Lattice="11.30046308 0.0 0.0 0.0 11.30046308 0.0 0.0 0.0 11.30046308" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.63987326 stress="-0.02585430350950731 -0.0008160719068208239 -0.0049283660474694155 -0.0008160719068208239 -0.043047274117358036 -0.005486330624154868 -0.0049283660474694155 -0.005486330624154868 -0.028549738160053923" free_energy=-253.63987326 pbc="T T T" config_type=melt 
Li       9.48958003      10.05649997       4.12156999      -1.49190161      -2.18515509      -3.90498284
Li       5.05544003       7.70094002       4.38078001       0.30492139      -1.08663325      -0.01462317
Li       6.41207994       7.15141997       7.38662002      -0.10649167       0.24466049      -0.33318549
Li       2.67003002       0.19685102       0.88494299      -3.50891100       0.92279660      -1.17366057
Li       9.66490005       1.95136995       3.02885001       0.45341923       1.17155454       1.00149995
Li       0.19470596      10.46100004       9.79923001       0.38617847      -0.29132582      -0.91797213
Li       8.99916999       1.64891001       6.89758999       0.74889136      -1.07633340      -0.38561112
Li       9.02100995       6.43501005       3.59557004      -0.77416473      -0.26550348       0.08814667
Li      10.79419996       4.85036002       1.41211999       0.75307726       0.60949703      -1.02707981
Li       5.79816003       0.15185404       5.89311002      -0.12205918       0.05254430       0.07971719
Li       8.70633002       6.47467005       9.51635004       0.70061874      -0.03658068      -0.17197317
Li       3.22769997       5.70740002       2.07438996      -0.27819329      -1.20107228      -0.17240551
Li       6.03449994       4.02785005       4.97409997       1.93035549       0.27763037       1.87533748
Li       3.05287005       1.42232996       8.64394005       0.26377927       0.15942638      -0.53979651
Li       1.87470004       2.41206994       4.66747999       0.35780290       0.72499249       0.46024226
Li       6.85941996      11.12079996       2.54437000      -0.30210955      -0.17787046      -0.00329495
Li       1.92306003       6.90409002       5.47605999      -0.51417477       1.53487323      -0.17144937
Li       4.11512002       4.58535997      10.74900003       0.32425673      -0.48552857      -0.67965146
Li       3.39793003       5.25632000       7.41658003       0.22395225      -0.85938106       0.89881533
Li       4.28609004       9.39215004       7.50872005      -1.20710928       0.17219818      -0.41392180
Li       1.25136006       8.04108001       1.96768003       0.15984789       2.40258267      -0.01375225
Li       5.78017003       0.33962197      10.89050002      -0.24651132      -1.35185878       0.01829361
Li       6.71319005       3.46340005       8.46490003      -0.77166448      -0.04473723       1.02677954
Li       1.20632003       2.68627003      10.77429996      -0.52823704       3.62882717       1.98972346
Li       7.41717997       3.88593002       0.30293603       0.60489683      -0.17947095       0.49947905
Li       4.46930004       2.26117995       2.37209998       0.27378269      -1.55562153      -0.31972649
Li       3.09164996       8.17085000      10.12040002      -0.54686563       3.62904770      -2.24526453
Li       0.99550605      11.01789997       6.08494996       0.13784640      -0.66668038       0.13604470
Li       9.14520995       1.42647000      10.83600003       0.03020554       0.71351955       0.72788544
Li       5.77818002       7.63528004       0.72834095      -0.85778253      -1.81325691       0.58442165
Li       0.48512696       5.46477004       9.68251001      -0.25891826       0.18519069      -0.20266074
Li       3.72638997      10.54900003       3.81905003       0.28542312       0.28750763       0.15338165
Li      10.93670004       3.77189004       6.42940005       0.27048193       2.00887800       1.39624575
Li      10.03580001       8.39577001       6.89022005       0.57146708       0.08604918      -0.50129276
Li       9.06966002       8.98124994       0.34810704      -0.10010084      -0.12075602       0.11159280
Li       7.52653998      10.40169996       8.61010002      -0.28505697       0.22978316       0.00742412
Cl       8.92263998       0.54379196       1.82242998      -0.13646318      -0.78744143      -1.22452719
Cl       3.11457001       0.12245397       6.50222995       0.96091844       1.74012934      -0.14599200
Cl       2.18465999       0.81343897       3.34825003      -1.02530188       0.11912744      -0.32047852
Cl      10.61590001       7.75135998       4.03796001       0.14749688       0.70129199       0.76721139
Cl       2.30814004       4.92142998       5.70653000      -1.04540778      -1.70030403      -0.90832431
Cl       7.05547000       5.99745997       5.18489000       0.08886014       0.22173567       0.27596227
Cl       6.62861998       9.28295005       0.18126598       2.45343812       1.42187303      -0.07048294
Cl       7.66096995       9.11548995       3.07765004       0.27645395      -0.45714434       0.55955360
Cl       4.66221996       3.67772000       3.75043995      -3.20265607       2.95606729      -1.09941335
Cl      10.25930000       3.44895004      10.81929998       0.35126940       0.00976808       0.08059460
Cl       4.31638002      10.98829999       1.54300003       3.51930801      -1.07032278       0.62069917
Cl       3.89040003       7.21701001       7.89069005       0.94510918      -0.16041665      -0.01257948
Cl       4.81743996       3.54203003       7.90675005      -1.23677126       0.14142625      -0.65531205
Cl       5.42772000       9.11367996       5.70173995       1.80115514       1.69126841       1.20176126
Cl      10.10400000      10.70520000       5.68142003       1.05025599       0.29654224       4.13252322
Cl       3.24928001       6.55643003      10.94679995       0.11869584      -3.12482978       1.88155567
Cl       0.84296403       9.53768994       0.26929501       0.64927278      -0.18420337       1.18255304
Cl       9.15215001       4.08634000       2.32489004      -1.51199703       0.04987620       1.31790210
Cl       1.08523003       6.15775003       2.26806995       0.11041040      -3.17374081       0.30984490
Cl      10.43649996       6.96318997      10.96400004      -0.63538129      -0.05315577       0.69854299
Cl      10.43990005       2.15386996       5.39047006       0.85137927       0.43534770      -1.81338786
Cl       5.92332000       1.39575997       3.96096001       1.51638688      -2.33179285       0.41573359
Cl       8.56741998       3.22295004       8.06897995       3.46901460       3.04567354       0.52611328
Cl       5.23030995      10.04029996       9.25628005      -0.74672680       1.01789228      -0.44668387
Cl       2.82141001       8.67805999       4.34167995      -2.06354705       0.05978987       0.62938995
Cl       1.88708998       3.70109998       9.04476996       0.13170531       1.41663214      -0.96488252
Cl       7.14580003       1.08915999       7.48952000      -2.65372405      -2.45785571      -0.55158528
Cl       1.68615995       9.32013004       7.88305004      -1.38967499      -0.21839351       0.73578176
Cl       9.54410996       0.04997924       9.37176005      -0.12264911      -0.74431130      -0.41287575
Cl       3.30386000       3.09463995       0.86976500      -2.15740547       0.73248415      -0.30167696
Cl       6.89949999       5.66725004      10.53280002      -0.64196735       0.38835088      -0.12176809
Cl       1.38408004       1.02774005      10.09349994       0.79996949      -4.45723037      -1.03652591
Cl       8.35824999       8.40435000       8.28494999      -1.19917291      -0.10111451       0.01249956
Cl      10.56089998       6.42418003       7.87468001       0.73506960      -1.23237375      -0.75861255
Cl       5.83109997       2.40409001      11.07090005       1.45603052       0.37121914      -0.34418109
Cl       4.37084995       7.33755001       2.52158996       1.45569388      -0.20565814      -2.02165864
72
Lattice="11.30820716 0.0 0.0 0.0 11.30820716 0.0 0.0 0.0 11.30820716" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.40367268 stress="-0.041020715098928004 -0.004324443042078873 -0.0018819143787621047 -0.004324443042078873 -0.029562766710670006 -0.0032933656324140516 -0.0018819143787621047 -0.0032933656324140516 -0.0463250029531326" free_energy=-250.40367268 pbc="T T T" config_type=melt 
Li       6.27287002       9.05596997       3.39769005      -1.38888064       1.54278657      -3.44350004
Li       4.04397003       9.92623003       1.00362996      -0.40862225       0.10547064       1.80856398
Li       6.64097003       1.80496005       7.25801004      -0.05025152      -0.61652711       0.21199563
Li       2.52058999       2.48038004       6.51038002       0.74646560      -0.64251317       0.28677280
Li       9.36033003       2.26744005       0.85583305      -0.16385062       0.33379491      -0.19800554
Li       9.23614002       0.24196895       9.11018005       0.63083202       3.23744456       1.47054404
Li       6.87537005       8.76796995       7.40534004       1.78905654      -0.22340908      -0.59088623
Li       1.82092995       7.60182997       2.82561994       0.17930384       0.37158601       0.01811657
Li       0.70085305       4.77271002       1.33103999      -2.81486860      -0.62757745      -1.48342915
Li       5.97812001       7.02671005       9.82541001       0.65024097       0.40002179      -0.00374245
Li       9.57589997       6.13882999      10.91960006      -0.82370820      -0.86603513       0.32166209
Li       4.31779001       7.34423998       6.53781000      -0.01682896      -1.03056505      -0.73825862
Li      10.51689998       3.02744996       8.85821996      -1.39851778       3.02794499      -1.20534092
Li       3.01040001       5.73968002       9.49122004      -1.58485839      -0.57958722      -1.19265850
Li       3.27093997       2.42449002       2.57581995      -1.02021542       1.90806467      -0.91418698
Li       9.36297004       9.14325995       1.43642999      -0.35833179      -2.68088270      -2.75098138
Li      10.87440002       3.18374001       3.88155997       0.00796440       0.35469742       0.25500198
Li       5.04460999       2.97439999      10.88659999       1.72660923      -0.18562812      -0.81158792
Li       0.74476497       5.32990995       6.28798999      -0.18517161       1.40270020       0.07011393
Li       1.08735005      10.98209995       8.02241002      -0.83667870       0.06823243       0.47245770
Li       6.66320999      10.27669998      10.84380001       0.07473669       0.32197940      -0.34731506
Li       4.48322999      10.85919998       5.78280998      -4.29671344      -1.69373549       0.61189629
Li       6.61327001       5.27043997       5.06014995       0.30314748       0.23441168      -0.50764446
Li       1.37417005       8.47638003      10.38679997      -0.06060985      -0.22762761       0.79187853
Li       0.71779795       0.06861549       2.48706003       0.02062991      -0.84869382       0.01661394
Li       7.65423006       4.67921999       2.04227997       0.53441880       0.51751312      -0.10230061
Li       3.45220001       5.34239002       3.87237997       0.10842065      -0.76094692      -0.63099603
Li       8.65230995      11.27450000       4.44290006      -0.44430255       0.43225219       1.43923443
Li       6.27310998       1.16692002       2.90712995       0.23371184       0.19322410      -0.46715548
Li       4.92247999       5.88597000       1.41663000       0.11830638       0.83108600       1.26271256
Li       1.36532998       8.73766000       5.99418004       0.60903219       0.11184924      -0.10997994
Li       1.69487997       2.51938996      10.78649997      -3.37993638      -0.64237105      -1.79721447
Li       8.47256000       5.25773000       7.93835001      -0.33962315      -0.47962947      -0.04252211
Li       9.89503996       6.68395003       4.58694999      -0.23406010       0.42574846       0.28399083
Li       9.92067996       8.42243999       8.89148000       0.38621678       0.31456176      -0.43448598
Li       4.48600004      10.55030002       8.88565005      -1.20731940       1.28448549      -1.73307229
Cl       9.38467004      10.43710000       2.76292996       1.06211211       1.76769196       1.33788296
Cl       0.83688196       3.33654996       5.74552003      -2.93793335      -2.13800033      -3.52398132
Cl       1.66193995       9.59423000       0.81495999       0.43850686       1.00062506       0.95168325
Cl       5.61639998       0.75482599       9.64078996       1.03463199       2.53192079      -0.51566592
Cl      11.11080001       1.41911000       9.53977997       1.80104884      -3.86995348       1.39329595
Cl       2.41751998       5.01521996       2.00355004       2.34624221       1.47934888       1.39410473
Cl       1.70301996       8.84546001       8.43933004       0.42110233       0.23300178      -0.83686842
Cl       8.96026997       2.55054995       3.06921004      -1.26001431      -0.10096512       0.71265230
Cl       5.26809001       4.63744996       3.21072003       0.98935846       0.04445112       1.64112804
Cl       2.87095998       0.25373604       7.03886004       0.05305191       1.07723544       0.04130938
Cl       2.74787998       6.68333001       5.07965005      -1.37433063       1.37641389       1.67604266
Cl       4.13056002       0.88324697       3.31792998      -0.37472200      -1.48054550       0.65326135
Cl      11.04280003       7.57242999       6.55093001      -1.28833340      -1.11718553      -0.21312749
Cl       0.40563399       2.19201002       2.02885000       0.79490593       0.10361090      -0.75794086
Cl       6.86506997       8.20447995       4.87773002       1.98659142      -1.92923653       3.29683053
Cl       4.67502996       9.49709997      10.45330003      -0.18922196      -3.53826646       1.06778587
Cl       8.84903996       5.08142996       5.72461998       0.33512211      -0.08898760      -0.75601729
Cl       0.49145095       4.40913997      10.04810005       0.56734710       1.02439724       0.99069559
Cl       2.23497001       4.37141997       7.51221006       3.12830654       1.77087382       3.22027270
Cl       1.19286003       9.90423003       4.16781005       0.13076132      -0.00966939       0.04046023
Cl       8.56974002       2.66671996       7.70549005      -0.10429684      -0.12081023      -0.08371007
Cl       6.09568002       6.03253997       6.97056005      -0.89949236      -0.47091764       1.38586351
Cl      10.73199995       7.81587997      10.99349998       0.72256670       0.59696061       0.30994897
Cl       4.24131996       8.13244000       2.76966004      -0.20398384      -0.10941373      -0.82652074
Cl       7.72232005       7.11463995       1.21475995      -0.38524171      -0.38703295       0.31403527
Cl       4.59107002       5.62098003      10.72920004       0.73641119      -0.18447428      -0.73027117
Cl       8.60681002       4.15194995      10.60789995       0.34200642      -0.60252780       0.29068872
Cl       3.24705003       2.86703003       0.38446502       1.69353485      -0.72043028       1.18714983
Cl       9.00735995      10.51719999       7.59463999       0.72590165      -0.93657506      -7.46346098
Cl       8.29490004       7.03819003       9.23220001      -1.12207955      -0.39436798      -0.87958826
Cl       4.85262999       9.07530000       7.46991001      -0.50910702       0.34454049      -0.43155539
Cl       6.45456995      10.46369996       1.58700001      -0.12802196       0.64848518       1.11742726
Cl      10.68729997       5.93034001       2.64774004      -0.13212636       0.09740074       0.27822015
Cl       8.50160004       9.92359997       9.86389003      -1.33024895      -1.70112614       5.43546685
Cl       6.46865003       3.07580001       1.25958998       0.01604097      -1.64280496      -0.87681483
Cl       6.11490997       0.04855281       5.32514003       5.80785936       2.13220685      -0.65697447
72
Lattice="11.28314767 0.0 0.0 0.0 11.28314767 0.0 0.0 0.0 11.28314767" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.21535319 stress="-0.020182030589021065 -0.00543151020120041 -0.001201661942263688 -0.00543151020120041 -0.029376997703597998 0.00010390149115824622 -0.001201661942263688 0.00010390149115824622 -0.02569357226636171" free_energy=-255.21535319 pbc="T T T" config_type=melt 
Li       2.62215004       8.41673001       1.19998995      -0.19544403      -0.16065252      -0.03727156
Li       2.56396995       9.46318001       6.06218002       0.50369453      -0.60329675       0.25585226
Li       1.94057999       1.69857994       1.17113002      -0.23620061       0.39631273       0.28959923
Li       4.60671998       2.76138995       9.27726996       1.90282703       0.31642740       1.56973642
Li       8.26887000       0.55141995       1.79972998       1.17004161       1.91088713       1.03537675
Li       3.06572002       5.02815005      10.93989999       0.42810393      -0.14472254       0.86313372
Li       3.38935996      11.17760003       9.41137998       0.18053410      -0.06292026       0.06320439
Li       8.44562999       6.12133000       4.21012004      -0.11763508      -0.15712232       0.16967488
Li       5.06462001       1.26688999       6.40897004       0.30330384      -0.22382928       0.25558621
Li       7.22907999      10.88479998       8.34090997      -0.43433014      -2.04993097       1.02670625
Li      10.00210004       8.37963001       2.86757001      -0.25366274       0.51264264       0.91233754
Li       6.08241995       3.38779995       3.70196002      -0.62608299      -1.23489053      -1.14740036
Li       8.32687001       3.10481003       9.70389999       0.41608141      -0.19355061      -0.17216599
Li       5.98737997       7.92174002       9.52648998      -0.39001276      -0.00054729      -0.94492783
Li       9.88506999       8.41663997       6.95594996       0.54390721      -0.44565354       1.00546075
Li       9.88671000       2.67239999       6.51307006       0.09297902      -0.33866360      -0.07548931
Li       3.79438998       4.88109995       6.92150996       0.08835907       0.10546645       0.31812550
Li       4.52173000       5.96467997       3.52552002      -0.61099645      -0.78513247       0.05325901
Li       7.54007006       5.42076997       7.67005000       0.33045347       0.12232291      -0.03802813
Li       6.42764004       8.11497001       5.91911997       0.05352074      -0.32531742       0.45586588
Li       2.18532997       2.18950000       5.10162004      -0.43147795       0.60696549       0.82817132
Li       0.32835099       4.97845997       1.46050000      -0.91460575       0.36998610       0.53696463
Li       0.03175236       5.49824999       8.36515000      -0.09075270      -0.02774005      -0.18923328
Li       1.07953998       2.59270001       9.32988000       0.00837017      -0.10003926      -0.33050259
Li       4.57229001       9.98902998       3.66608999      -0.19899538       0.20508986      -0.33486068
Li       7.59838001       0.08155233       5.04169999       0.74856591      -0.25863448       0.50415324
Li       2.08044995       7.86038000       8.70724003      -4.72799737      -3.19119715       0.37809632
Li       1.30865004       5.62637995       4.81640001      -0.68245871      -0.07475889       0.30202742
Li       9.36804999       3.33044004       2.27494998      -0.36462701      -0.67512069      -0.09110840
Li       5.69643002      11.15069999       0.68692096       0.24493392       0.44140775       0.81754838
Li       6.16158004       4.41399998       0.57520799      -0.10438076       0.24383798       1.10241590
Li       0.37528200      10.98569998       3.61890003      -1.85086789       0.95455963       0.70145012
Li       6.54500001       8.08435996       1.80176004      -0.10539461      -0.17321030      -0.06913666
Li      10.92269172      10.39890002       0.30452798       0.08940302       0.36688492       0.42425278
Li       0.16820996      10.74960000       8.64945001      -1.32091695       0.04705642       1.87537926
Li       8.93644996       7.45330006      10.61709997       0.18090091       0.62088731       0.17449528
Cl      10.49029995       1.32555006       1.69559002       0.06967466       0.45584939      -0.98709686
Cl       3.38723004       8.97286000       8.61251000       5.31357190       4.25336764       0.02155494
Cl       6.41557001       5.73143000       2.57554003       0.53734311      -0.31622420      -1.57335861
Cl       9.98638995       0.56528705       4.54680003      -1.61230243       0.33315394       1.51969840
Cl       3.69288995       2.39165000      11.24320002       0.28149391       1.42043093       1.17210784
Cl      10.93581865       8.77902004      10.09389996       0.22257313      -0.00042714      -0.33825037
Cl       0.68740704       3.46217000       6.80360005      -0.16782434       0.40392299      -0.19071236
Cl       5.67186999      10.16959995       6.23661003      -0.16509670      -1.48346406       2.70528332
Cl       9.35736000       5.51505996       9.84720995       0.41874934      -0.93790629      -0.25490276
Cl       2.12139999       0.41129499       3.96300004       2.82621537       0.52577112      -0.02596579
Cl       4.87868005       7.89279005       4.24644997      -0.58292920       0.49970933       0.27688019
Cl       1.72205002       0.06134749      11.10310000      -0.34441667      -0.78281225      -0.99134038
Cl       3.09560998       4.27072002       4.73799996       0.11384406       0.15527525      -0.39060704
Cl       5.23741002       7.24078005       0.10013703       0.08122312      -1.53589009      -0.60466098
Cl       5.65468000       0.49960503       4.25302997      -0.44800207       2.83414988      -2.47249769
Cl       6.47172003       4.29839002       9.81999997      -0.40576588      -0.55233165      -0.86413786
Cl       3.33307996       2.33132002       7.87312996      -0.59673090      -0.68066017      -1.82256930
Cl       7.17397998       1.37503997       7.61283000       0.46291979       2.96602213      -1.93424623
Cl       7.68058000      10.17540005       1.05562997       0.07667041      -2.32181201      -0.67575376
Cl       7.12854004       2.41828996       2.20740996       0.74146842       0.11615249      -1.41521366
Cl       0.83313397       7.26769002       6.94828995       1.08405771       0.89654960      -1.09435164
Cl       0.45322306       9.49859996       2.40597000       0.63131503      -2.22258704      -1.66940557
Cl       6.23489003       4.62470001       5.12878998       0.76999607       0.57453855       3.24734725
Cl       1.38593994      10.81029995       7.15438995       0.35596983       0.92730678      -1.41370402
Cl       4.54215002       9.59775998       1.33833003      -1.40189133       0.64504597       1.38864867
Cl       9.14840005       6.89864997       1.76883999      -0.21536702      -0.26108964      -0.93511261
Cl       5.69415003       0.68002899      10.14440005       0.43891147      -0.52925155      -1.69452781
Cl      10.18490001       1.81675997       8.86981000      -0.10311317      -0.39441999       0.37160876
Cl      10.18020001       4.61162002       3.78315005       0.86542414      -0.13988153      -0.10022717
Cl       2.11187002       6.05509996       1.83566003       0.98174571       1.11373126       0.71811217
Cl       2.62040995       5.88862997       9.09991998       0.14477583      -0.98813208      -0.65041724
Cl       7.97894997       8.74402998       8.61290006      -0.03380202      -0.00824675       0.25209582
Cl       5.52781996       6.35183004       7.54412996      -0.03723448       0.89620557       0.09536728
Cl       8.75253003       8.38557995       5.24249996      -1.24951988       1.45831912      -2.49430574
Cl       1.13073004       4.01664001      11.07935969      -1.32910998      -1.07202441      -0.43037158
Cl       9.61029003       6.13488005       6.57232001      -1.35397693      -2.24214488       0.76628377
72
Lattice="11.28954053 0.0 0.0 0.0 11.28954053 0.0 0.0 0.0 11.28954053" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.1736137 stress="-0.034249020387403226 -0.0031065030130790435 0.0009956361922217358 -0.0031065030130790435 -0.03327348179839325 -0.0008713465181528631 0.0009956361922217358 -0.0008713465181528631 -0.026463937926412166" free_energy=-252.1736137 pbc="T T T" config_type=melt 
Li       6.17308994       9.13465998       0.51993595      -0.39187059       0.34148578       0.01320364
Li       2.88151997       7.36853995       6.84429004      -2.04752063      -0.46810405      -0.35769565
Li       6.29090002       5.58769001       6.04587996      -0.52622560      -0.71215102      -0.56939770
Li       2.87078001       7.81163003       2.71028000      -0.13012599      -3.07484392      -1.92400720
Li       5.23988004       2.07329996       4.91791995       0.44153707      -0.09749206       0.33028381
Li       6.11118002       2.00045996       8.67012000      -1.33590905       0.26015810      -0.09315683
Li       1.77860999       1.96348998      10.91870001      -2.10702359       0.01971204      -0.30823578
Li       9.01636005       8.33732004       4.92639004       0.20795099      -0.06162502       0.29755265
Li       6.11937002       9.19004003       7.65454996       0.62109225       0.09822647      -0.00354826
Li       8.19263001       1.11667995       6.11686995      -0.37945164      -0.23106674       0.52703047
Li       9.80019002       8.18094003       1.42515005      -1.01708298       0.53243688       0.42869107
Li       6.43528997       2.17923999       1.06708997      -0.37362590       0.17639683       0.65181069
Li       8.87768001       2.96732003       3.62148004       1.82146389       0.17483757      -0.73549548
Li       2.99061001       4.42965004       2.08262004      -0.25183030      -0.05591414       0.30128982
Li       0.26876196      10.70469999       3.45083999      -0.20213804      -0.34346214      -0.02252153
Li       7.01681003       5.91181994       2.55950999       0.17040331      -0.09563113       0.42919378
Li       0.11535946       6.14563005       4.83684999      -0.43362696       0.24981142      -0.93122388
Li       8.54637004       7.10444001       8.61757001      -0.29262862       1.70703036       0.81322931
Li       2.86096996       3.67318997       8.33391997       6.06288669       1.60738287      -0.96052726
Li       5.75189005       8.67181004       4.62888999      -0.29770185       0.21235050      -0.41112541
Li       2.60374004      11.27270004       7.04765000       0.13088352       0.06095337      -0.10979129
Li      11.01960005       5.19090003       1.20227002       0.55837038      -0.09129739       0.22016133
Li       0.02230497       5.41377994       8.11833998       0.55735508      -0.16243389       0.16834488
Li       2.42101995       6.95782997      11.13860005      -1.17163200       2.62603382      -0.11070224
Li       3.40227001       0.32762800       2.63302002       0.78925135      -0.36907671       0.25445255
Li       7.89671004      11.01150003       2.87133997       0.18504893      -0.92512935      -0.40037610
Li       0.57976498      10.04740003      10.63019998      -0.36342709       0.01199342       0.18347795
Li       9.15567998       4.52431995       6.48480003      -1.34726916       0.10902153       0.31442486
Li       0.84615197       2.72330000       4.93093996       0.52359108       0.00402428       1.34889336
Li       3.94984005      10.36099998       9.73140997      -0.95580866      -0.84018947      -0.00030906
Li       8.14626996       4.02416000       9.92902005       0.32087269      -1.42026766       0.49604483
Li      10.33880000       2.07310002       0.65516602       0.19585207       0.17470745       0.32467670
Li       8.95173002      10.91679998      10.40459996      -1.34408448       1.16493073       1.45480861
Li      10.98629997       9.24666995       7.56355999       0.17327700       0.08742136      -0.21250698
Li      10.72589995       1.63135994       8.01452995       0.17437437       0.73352580      -1.02868059
Li       5.24038005       5.73335003       9.94419997      -0.16163750       0.09673738       0.22227158
Cl       0.13355944       2.75018005       3.10031003      -0.00785030      -1.11434120      -1.27418762
Cl      10.05590004      11.03590000       1.32297000       1.07625806      -0.35253744       0.88714735
Cl       6.83319999       7.42776996      10.51260000       0.34903180      -1.11042881       0.01920142
Cl       0.80072500       0.49640302       5.53469995      -0.08450432      -0.18833832       0.59631961
Cl       5.96150002      10.21379995       9.63280994       0.62661214       0.39042955      -0.80396937
Cl       1.73347000       9.64642005       8.73714002       0.30102065      -0.15273363      -0.55769603
Cl       4.23194997       8.72071001       6.59256998       2.03355917       1.95378945      -0.15376819
Cl       8.08741996       1.66106995       8.53179998       2.06502856      -0.82621986       0.40344909
Cl       1.23103995       3.17703995       8.54050998      -5.91421986      -2.07907793      -0.20981355
Cl       4.46513995       2.79593995       2.93425996      -0.44139119      -0.18955655      -0.59153378
Cl       3.29828996       5.29025002       0.02479341       3.42959558      -0.54080708      -0.13979368
Cl       3.69043000       5.81023000       7.85208001       0.63950689      -1.30992792       0.85621966
Cl      11.20859994       4.47029995       6.10993004       0.82658731      -2.22913640      -0.29072455
Cl       7.73943003       1.44351000       4.01294000       2.17899346       1.73763149       0.91891501
Cl       5.85742999      11.20540004       3.84298003      -3.95760446      -2.98194764      -0.04377571
Cl       8.48489002       4.72236998       4.43687004      -0.77653975       2.03393169       0.47420660
Cl       2.86229998       9.21125996       3.87638002      -0.57885834       3.68987322       2.43995132
Cl       7.21507999       0.21218996       0.78346499      -0.52444392      -0.23245889      -0.28119240
Cl      10.74739997       8.45173005       3.32920004       0.45592952       0.50036526       1.32418759
Cl       9.22455995       5.18908004       8.83626004       1.84101934      -0.09525186      -0.27476310
Cl       9.45091998       9.64000002       9.03371997       0.16110188      -2.99443532      -0.80058144
Cl       4.25021995       1.89393005       7.13695998      -1.23110031      -0.86835500       0.17672990
Cl       7.92275998       6.83456004       6.62880003      -0.65811040       0.79910876      -0.44841793
Cl       5.08906002       6.24481002       3.81126997      -0.16733261       0.02087724       0.20725021
Cl      10.62079997       0.80427003       9.83634997       1.92250457       0.87405073       1.66066054
Cl       9.16365999       4.02611004       1.77125000      -0.75941589       0.38406193      -2.74322538
Cl       6.40093003       3.70869998      10.79459996      -1.84497862      -0.00966690       0.20041792
Cl       7.71500997       8.14261001       3.14829994      -0.77061368       0.20096657      -1.00549496
Cl       3.07782995       0.75385805      10.56019997       2.49534130      -1.59500651       0.14433088
Cl       0.19964198       7.76397000       0.33178402       0.77854506      -0.70614197      -1.28431123
Cl       1.19590995       5.79766000       3.10725998       1.29932513      -0.15104769      -1.09315414
Cl       8.23304995      10.02380003       6.30503995      -0.27075486       0.41709983      -0.62009830
Cl       6.74898995       3.30716997       6.70666004      -0.05402456       1.42694585      -0.78053745
Cl       3.49112005       8.86469004       0.86928096       0.52019763       0.10875120      -1.08939301
Cl       1.25870000       3.70592998       0.03823587      -3.22511366       1.47242009       2.14463432
Cl      11.17659997       7.19334999       6.59017005       0.46310863       2.21662076       1.43226977
72
Lattice="11.24268469 0.0 0.0 0.0 11.24268469 0.0 0.0 0.0 11.24268469" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.41196395 stress="-0.03253641060120505 -0.006173206550137672 -0.00514188879868094 -0.006173206550137672 -0.02822474784173308 -0.0007199540643802658 -0.00514188879868094 -0.0007199540643802658 -0.02513890888626803" free_energy=-254.41196395 pbc="T T T" config_type=melt 
Li       7.56984002       8.21249999       3.47418002       0.05107749       1.23295816       1.55665274
Li      10.46720005       9.66724998       5.51715998       0.00811058       0.97295255       0.46709586
Li      10.25179999       7.74619997       2.38863001       0.14664679      -0.09812167      -0.38266357
Li       4.76838999       5.80159001       6.89200001      -0.42189258       0.14017469       0.02872027
Li      11.16779998       3.57807997      10.56619999      -2.20262630      -0.54997940      -0.15162266
Li       7.17565002       2.13098005       8.87387003      -0.15696156      -0.38222020      -0.19855772
Li       4.28868003       2.62615005       2.78465998       0.26267012       0.21456709      -0.88380245
Li       2.25519002       1.47863002       0.61367396      -0.31969744       0.37562540       0.03050745
Li       7.30753998       4.74908000       3.90696998       0.11652604      -0.50299616       0.03437207
Li       8.06083999      10.64539998       7.61330998      -0.93585802      -1.36355867      -0.30494630
Li       8.25597995       9.34288998       0.04662218       0.15484817       0.71850449       0.46528315
Li      10.47940005       0.47809404       9.66942005      -0.26726799      -0.25132627       0.27281139
Li       9.89749005       2.72232998       6.96139998       0.12766754      -0.31878344      -0.60866210
Li       1.68776003       5.56468000       0.45911898       0.23757698       1.65920356       1.26628296
Li       5.13530996       7.63945000       9.56039996      -0.09398340       0.22582274       1.30590865
Li      10.93830002       2.94126001       3.05102999      -1.06154329       0.38090865      -1.01516712
Li       1.50386996       3.99511004       7.47685998       0.02045777      -0.18713988       0.19977160
Li       2.22291003       8.38376003       7.51308999       0.02105124      -0.25239769       0.07015459
Li       5.14564997       9.77318002       6.25754001      -1.87403558      -0.38532612       0.53201270
Li      10.54280002      11.08949996       1.85366001      -0.01502567       0.33586929      -0.54902091
Li       5.02151004       6.63975003       2.34023003      -1.39667522      -0.55538021       0.28994062
Li       4.48868998       3.59393001      10.02730000       0.24281089       0.47008733       0.10043242
Li      11.23360004       6.71454997       9.41358005      -2.49781209      -0.11464704      -0.43643514
Li       7.70781002       5.91711995      11.15680002       0.00926181       0.01035296      -0.17928669
Li       8.11097000       1.12654005       4.57616999      -0.06693597      -0.52697337      -0.48736199
Li       2.36309000       0.85788801       7.41447995      -0.37737653      -0.81108149       0.80295277
Li       4.77304997      10.22880005       2.45872995       0.86653992      -0.90750796       2.63854167
Li       7.82611994       6.99632999       7.10080005       0.62082989       0.62365180       1.14246961
Li       4.76264003      10.69130004       9.79557994       1.80324502       0.11374646       0.12240773
Li       5.16027996       2.48161005       6.00371999       0.42077913       0.04494369       0.06143961
Li       1.95528005       9.61728997      10.99160001       0.74357427      -0.50541982      -0.07736909
Li       2.73423002       5.12511003       3.84640001      -0.83035862       1.47889506      -0.32762461
Li       2.29135999       8.78309996       4.00056004       0.19393280      -0.84289390      -1.20263799
Li      10.47549996       5.63288004       5.37364003       0.28049343      -0.02046157      -0.79730088
Li       1.52555002       0.87849697       4.46882000       0.29300803       0.31597785      -0.20916097
Li       7.17273997       1.89207997       0.86824297       0.31385247       0.13114661      -1.54048107
Cl       6.87930005       7.21789003       1.88727002       1.23206288      -1.10359740      -1.73348622
Cl      10.40169995       7.78623000       4.68239998      -0.28021175      -1.19339284      -0.33616289
Cl       5.54126003       5.69497001       9.04764000      -0.44730504      -1.12283348      -0.64500953
Cl       8.73650005      10.04999999       2.44233002      -0.65466404      -0.76920143      -0.12187681
Cl      11.09119997       9.84381994      10.94470003      -0.78375980      -0.00265633       0.18022108
Cl       2.83639994      10.92299996       9.30286996      -1.82183925       0.22713392       0.12454846
Cl       4.20102004       3.90378998       4.38339999       3.38163795       0.80998661       1.23727569
Cl       9.94571003       4.83307005       2.74401003      -1.22446736       0.63207848       1.14441947
Cl       2.43552999      10.10300003       5.56611996       0.22844823       0.86930866       2.36225326
Cl       3.65508999       4.55622996       1.34528998       2.46412946      -0.83984313      -0.74525403
Cl       4.44112005       8.56521999       7.89273004      -0.17581099       0.44830675      -0.86899690
Cl       4.95100997       2.04669005       8.30181997       0.75101050      -0.30395111       0.84602497
Cl       7.64747998       2.56478005       6.06789998      -1.21179067       2.07151946      -0.76990688
Cl      10.82349995       1.77768004       0.56636002      -0.05927849      -0.10442495       0.47486850
Cl       2.18336995       5.98941997       6.59224002       0.35798945       0.31679711      -0.75549329
Cl       7.09117002       0.33737700      10.62119999       0.52283984      -0.41821207      -0.57398620
Cl       6.80981003      10.41509999       5.54102000       4.71614128       3.11275000       1.53720728
Cl       6.54513002       6.47685005       5.55560997       0.25184707      -0.81327951      -0.77411473
Cl       1.57905002       3.52868995       3.13467995       0.08596531      -0.83738150       0.07009958
Cl       0.45415499       1.90204999       8.55809000       0.96672800       0.47880742      -0.61474816
Cl       3.68710995       0.63802899       2.27927995      -1.94052665       1.98511306       0.54130369
Cl       1.84935002       7.06796995       9.60151996       2.53483382       1.19740622       0.49330513
Cl      10.29630000       6.44401995       0.17753998      -0.35282554      -0.05678158      -0.26462844
Cl       5.27839999       8.95475001       4.28620001      -2.61269356      -2.19613029      -2.92556262
Cl       2.93501999       2.50757997       6.37880001      -1.76948825      -0.01589448      -0.72031056
Cl       1.80379005       3.97787995      10.53609995       1.79015352      -1.36444765      -2.02387081
Cl       4.82385004       9.96965999       0.59826002      -0.19245342      -2.18671684      -3.01193854
Cl       7.19107004       8.32392994       9.76855995       0.22511301      -0.61002920      -0.11063960
Cl       6.94597996       2.16852995       2.81130998      -0.35635927       0.54082660       1.52703667
Cl       8.98373995       1.13450999       7.93566001       0.48888821      -0.71570129       1.71604592
Cl      10.46940002       1.37526995       4.23422002      -0.97805888      -0.44052081       1.69086175
Cl       9.52504003       8.96076001       7.87841001       0.72729976      -0.38329251      -0.94012720
Cl      10.34339999       4.74770997       7.34513001      -0.07856580       0.96144928       0.59898482
Cl       7.06418004       3.59666997      10.43660005       0.69627237       0.51209839       1.31513637
Cl       0.68529200      10.31340001       3.27515999       0.56816362      -1.10210366      -0.80785911
Cl       2.91013003       7.08108005       2.26767997      -1.46633561       1.54763662       0.84872327
72
Lattice="11.25874375 0.0 0.0 0.0 11.25874375 0.0 0.0 0.0 11.25874375" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.09149048 stress="-0.029054403394524933 0.004127839474213355 -0.004016634431219383 0.004127839474213355 -0.030083296475723983 -0.000529123773867516 -0.004016634431219383 -0.000529123773867516 -0.029327762445152766" free_energy=-255.09149048 pbc="T T T" config_type=melt 
Li       9.55395997       9.09088998       0.28018904      -1.11768434       0.63568282      -0.27602808
Li       2.37568005       7.15710999       7.15509997       0.87074534       0.36782818      -0.18501451
Li       7.71507003       7.98197994       4.30737998       0.14424604       1.59639448      -0.30024905
Li       0.74724001       5.03815002       5.05605998       0.37515501      -0.10017643       0.51574321
Li       0.71652706       1.60840004       1.78703003       0.59721561       0.35628457      -0.04641706
Li       8.40914996       5.07928001       6.19194000      -0.71466761       0.67113046       0.48042964
Li       2.39667997       5.83430995       2.59871002      -0.20555643      -0.36416997      -0.14483514
Li       0.46717099      11.15660004      10.21500000       0.50593069       0.43452467      -3.43462580
Li      10.77650001       9.39375998       6.98954003      -0.47465671       0.91646839      -0.68537839
Li       8.84417003       0.47188502       7.95459001      -0.19326976       0.45870206      -0.03380952
Li       5.83963004       9.04900002      10.60299995      -1.57230337       0.43231959       0.29502447
Li       9.74824997       0.94377996       4.64415997      -0.62307361       0.20711491       0.49900935
Li      10.79360001       3.44861997       7.83881995      -0.40204355       0.30876269      -0.01187417
Li       7.80684005       3.22887001      10.46689998      -0.44833247       0.04657942       0.53682037
Li       3.64574999      10.24220000       8.09033995      -0.71637779       0.25696383       0.32223505
Li       3.09848002       2.77368002       4.12507998      -0.34331563      -0.51688360       0.16469837
Li       5.72926001       6.29406998       8.83045002       0.25657687      -0.30882224       0.04447548
Li       2.67028005       4.04164998       8.32701000       1.00450258      -1.13928242      -1.36176406
Li       4.15796001       7.95594995       3.65893995       0.10732678       0.23130952       0.10712903
Li       2.46616004       8.44110003      11.21069999      -0.18734841      -0.35396906      -0.00388205
Li       6.74474995       6.37722999       1.52136004       0.02208070      -0.06596793      -0.07984231
Li       5.29379995       5.36566001       4.98949998      -0.38544592       0.78197580       0.83269745
Li       9.05741999       0.06763825       1.76116002      -1.00269722      -1.01327667      -1.69571295
Li       3.53974003       4.53941999       0.07087852       1.32114820      -0.64763544       1.38721189
Li       5.42863996       0.27497399       5.43362004      -1.42416908      -0.83752651      -0.46574186
Li       4.29742995       0.65012805       1.15641000      -0.30547052       0.04721934       0.60066520
Li       1.77266004      10.11960004       4.37418002       2.69360887      -1.77100811      -0.85528277
Li       9.39784995       7.40927005       8.94688997       1.27222354       0.15068298       0.71864099
Li       6.32164005       2.47894997       6.97454001      -0.73517923       1.12956014       0.74513051
Li       1.63876003       1.25452005       6.91476002       0.89270157      -0.58995802      -1.97911594
Li       5.35825997       1.30419002       9.80494000       0.07482247       0.56256991      -0.05659043
Li      10.90409996       8.04117999       2.95054002       0.12689749      -0.11783003      -0.33510592
Li       0.11179302       5.55870997      10.70469996       2.73548146       0.71121928       3.11984648
Li       9.85605999       4.37153005       2.82149005      -0.38902298      -1.05499551      -1.08343689
Li       6.79977999       2.58284003       2.92345002      -0.08428142       0.48438430      -0.04937108
Li       7.20210005       9.13321002       7.38508999      -0.69977859      -0.28042524       1.18148365
Cl       5.26048994      10.55540001       9.19023004       3.50786000       0.12020601      -1.82357837
Cl       0.16948496      10.85650002       0.74986498      -0.58191623       0.08954889       3.16883903
Cl       9.87668995       1.58261999       2.57472000       0.00941672       2.85984547       1.15012622
Cl       8.35736999       2.69663002       8.50434996       0.17704924      -0.62427868      -0.94037589
Cl       9.66126998       9.93020996       8.95590001       0.04453001       0.53735038      -0.05751479
Cl       0.36140399      11.21119999       4.92112000      -2.52231193       1.49630571       1.69734419
Cl       8.12892997       9.57285000       5.65943002       3.08718881       0.46553543       0.55500719
Cl       9.93086004       3.81397004       5.43061001      -0.28485290      -2.16245314       0.86191902
Cl       5.57263997       4.66203998       7.31221000      -0.18447426       0.17731155      -0.62709588
Cl       2.82388005       3.29535999       1.98266995       2.08480067      -0.83207856      -0.11954713
Cl      11.14410002       7.90893997       0.04110916       1.73302570      -1.54652964      -0.04040072
Cl       1.94269995       7.99441005       3.32924002      -1.49651193       2.08108056      -1.60312688
Cl       7.26732004       1.14234997       5.74759004       1.74293278       0.28197834      -0.71459667
Cl       5.77195002       9.41429998       4.31657995      -1.48424559      -0.32522043      -1.02948447
Cl       1.65441002       3.45747002       6.43537003       0.05939763       0.75688848      -0.53888003
Cl       4.05715001       7.61821995       9.27091999      -0.33810289       0.30037752       0.00445373
Cl       4.39066001       6.70507999       1.56044004       0.29855610      -0.05641964      -0.21902229
Cl       3.29271002      10.51050002      10.94999995      -1.50514578       0.26459033       1.38867474
Cl       2.28631005       5.09934996       9.92149997      -1.73893075       1.31196692      -0.01185691
Cl       7.87547999       4.44219004       1.07355004       0.02131842      -0.02713608       0.89767755
Cl       3.81296002       1.26331999       6.85593004       1.15334999       0.15083397       0.53486759
Cl       2.86934005       9.57491002       6.39811000      -0.68772529      -1.18030677      -1.15524525
Cl      10.13120004       5.27310998       9.42378998      -2.85275668      -1.28273348      -3.15505022
Cl       0.52079999       1.47688001       8.48313004      -1.35249473      -0.36391013       2.30891433
Cl       7.01192005       0.92545095       0.03651064       0.29611771      -0.14129417       1.27045084
Cl       7.68379999       7.02335995       7.92607994      -0.68224799      -0.99809543      -2.51629763
Cl       3.15772995       0.46700898       3.43739005       0.47864555      -0.00784012      -0.51032969
Cl       5.09632001       3.40509998       4.47356005       1.03813406      -1.40624426      -1.00030793
Cl       7.54589997       8.09349003      10.43679995       1.10049044      -0.56904069       2.21653833
Cl       5.25384999       3.49034004      10.09169998      -0.28411230       0.00509751       0.59019061
Cl       0.38848295       7.68057999       7.63727999      -0.23888577      -1.10144722       0.21947265
Cl      10.53229999       5.94468999       3.87209994       0.22420515       3.51182708      -0.34561013
Cl       0.51170799       4.39430998       1.43780001      -2.12562132       0.72693432      -0.46936022
Cl       2.99622001       6.17494999       4.94888000       0.99115050      -1.49896045       1.37765054
Cl       7.26988996       6.04730005       4.30732999      -0.30864115      -1.36438378      -0.48619738
Cl       9.00205995       9.38474995       2.44464999      -0.35518059      -1.27505599       0.65458878
72
Lattice="11.23481461 0.0 0.0 0.0 11.23481461 0.0 0.0 0.0 11.23481461" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.29474579 stress="-0.028916343035181057 -0.004238086682733849 -0.0010638684074349464 -0.004238086682733849 -0.03435446803144364 0.005245683385270878 -0.0010638684074349464 0.005245683385270878 -0.028108801068082594" free_energy=-253.29474579 pbc="T T T" config_type=melt 
Li       9.09221997       8.15140997      11.20910003       0.43391374       0.19229491       0.11673183
Li       6.24816002       4.67415002       2.32830995       0.17990352       0.39080016      -0.04891969
Li       8.92489999       6.84202996       3.01155003      -0.03438943       0.16578170      -0.25274212
Li       6.33649004       5.03140005       6.16627002       0.06017095       0.30273588       0.07567950
Li       8.80840002       0.67247297       1.62140002      -1.59159539      -0.01108485      -1.41572761
Li       9.08354995       4.01107003       6.90742995       0.38331369       0.14811669       0.21575275
Li       4.71743001       0.17658297       2.70664997      -1.35346152      -1.52969261      -0.24338509
Li       1.11959994       1.08965995       2.42407000       0.39786308      -0.02175059      -0.34532890
Li       9.47768006       4.74703004       0.44000702       0.06049856       0.06994703      -0.89940612
Li       5.13079996       8.98533003       7.79945996      -0.06494616      -0.60791954       0.75220155
Li       2.78143002      10.52300001       6.18178002      -0.05577270      -0.53305759       0.47210995
Li       8.45822006       0.59266197       7.71102995       0.45162084       2.33127531       1.17279366
Li       1.11430003       4.73322998       2.91931995      -0.73027543       0.48964988       0.78663691
Li       3.03120006       4.63273996       0.53867903       1.04052180       0.14309495       0.39947160
Li       6.62302006       8.73526003       4.18797005       0.00173360       0.03287590       0.22124393
Li       4.27123002       3.06410997       3.63414997      -0.53699514      -0.71768991       0.05723465
Li       0.54886103       9.43385001       0.97957000       0.37161234       1.18566051      -3.99246910
Li       1.13030998       9.92676997       8.75036995      -0.40849289       0.13576117       0.10576676
Li       3.36428995       6.36687999       5.72627996      -0.42472353       0.21479794       0.28243733
Li       6.78731001       9.81618996       9.93659999       0.17355043       0.53580890       0.56498330
Li       2.91683998       4.59192005       7.99716001       0.07773945       0.04209000       0.19467228
Li       6.48226996       5.45075995       9.95043004       0.19736586       0.45366636      -0.00332970
Li       9.31898998       8.34429005       7.27294004       0.40258628      -0.56670360      -0.50482671
Li       0.28971902       6.01741996       8.57238004      -0.93220799       0.38791744       0.71548041
Li       6.99195002       0.56122797       5.06507000      -0.46901333      -0.73966813       0.30205564
Li       4.04226001      11.06550000      10.77029997      -2.65087229       1.71514259      -0.99158960
Li       5.83983001       7.95032004       1.07093005      -0.39115519       0.27356416       0.25799733
Li       1.16813996       2.35810995       5.73759005       0.23029009      -0.00257631       0.11981565
Li       2.84593998       8.03945998       2.60034997      -0.45125536      -0.24431699      -0.28035095
Li       4.61319003       2.14726001       7.42980996       0.01162914       0.14314204       0.24786375
Li       0.36851900       2.34645001       9.51831997      -0.07502443       0.59035215       0.89536234
Li       0.21473697       7.75065997       4.74594004      -1.83081767       1.39063205       0.53925005
Li      10.12269997      10.60099996       4.78187998       0.09073611      -0.51438840       0.55549780
Li       8.79526000       3.61221995       3.71284996       0.24559515      -0.13787002      -0.08193762
Li       3.31271002       7.41849998      10.10030000      -0.12066917       0.36786220      -0.26540494
Li       6.69044995       2.34425001      11.00379997      -0.08751217      -0.74015556       0.03041479
Cl       8.04542005       1.63367001       9.63002998       2.41603092       0.10950067      -0.47513487
Cl       0.50652195       9.17723999       2.75443995       0.51795442      -0.58091649       3.81722059
Cl      10.37939998       4.62041997       9.50876005      -0.91701629      -1.66512414       0.96380659
Cl       7.45143001       9.63276004       1.13716996       0.87466513       1.39193999       0.37102643
Cl       1.36914001       0.28281904      11.18869997      -0.06747493       0.43120414       0.58873122
Cl       7.60348997       6.72583996       0.76186401       0.19127441      -1.41615076      -0.22673279
Cl       5.64380002       4.03073005       0.21680799      -1.57734062      -0.40190090      -0.13666690
Cl       0.94905804       1.37095005       7.76371000      -0.03623166      -0.68303068      -0.52010293
Cl       8.08865004       3.43424004       1.42003001       1.27051032      -1.29206336       1.05291224
Cl       4.65720006       6.87383999       8.22011996       0.58994853       0.77061184       0.21270005
Cl       3.32890995       9.82518995       8.82427998      -0.99452212      -0.35736940      -0.47281093
Cl       6.19943002       1.43105001       3.12272998       0.71199164       1.09109925       0.23210698
Cl       5.47567001       0.48227295       9.64728003       0.89545136       1.18046832      -1.21915245
Cl       2.87097003       0.91628800       4.79182999      -0.44191230      -0.77308212      -1.71013729
Cl       5.77478998       4.27833998       8.24710003      -0.00118129      -2.09998904      -1.02419086
Cl       8.32079996       2.02888000       5.79942995      -0.09567948       0.68029310       0.41609947
Cl       1.78593995       6.61264999       7.44965996       0.71259059       0.07533307      -0.84611867
Cl       0.26588200       9.30732005       6.37922997       0.39101098       0.62698504       0.33990410
Cl       4.54943998       4.91310004       4.63029998       3.96571941       3.81069121      -3.31563791
Cl       5.14035000      10.17610006       6.18123996       0.36364433       1.11224739      -1.10381969
Cl       8.63329004       8.83319997       9.23415006      -0.45270429      -0.17438126       1.76969489
Cl       9.01361997       8.54953000       4.48064000      -0.52403855      -0.31448559      -0.57724989
Cl      10.22540000       0.62053296       2.98809005       0.73516469       0.75178848       0.95459279
Cl       8.68979003       6.16508003       7.66193999      -0.52957934      -0.16748959      -1.16148806
Cl       4.49814002       9.19128003       3.37096995       0.60899016      -0.54174772       1.07194079
Cl       2.47312996       3.38022002       2.04639002       0.14361493      -1.70622915       1.23531094
Cl       8.18430000      10.12819998       6.92546003      -0.99132898      -0.43325652      -2.67363340
Cl       3.16883002       3.49401004       5.82983001      -3.01573087      -2.26871588       4.36269776
Cl      10.80500004       3.67219004       4.85726997       0.31557784       0.41912944      -0.08450768
Cl       1.67861005       6.67186004       4.13876999       2.36977183      -1.73567409      -0.75191632
Cl       4.38800997       9.57291005       0.57725399      -0.09607075      -2.13530454       0.87367712
Cl       4.19020005       6.30325004       0.75250901      -0.60748841       2.43601674       0.67979614
Cl      10.50930005       5.72827998       1.99942996       0.81812048       0.26818029       0.16154873
Cl       7.55923996       5.54600995       4.16128995       0.05066291      -0.29766134       0.23365190
Cl       0.30339505       8.39643004      10.37870005       0.20126625      -0.85756901      -0.36156093
Cl       2.04675999       4.04395995      10.22469996      -0.39712605      -0.58944320      -2.43259279
72
Lattice="11.22018231 0.0 0.0 0.0 11.22018231 0.0 0.0 0.0 11.22018231" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.25104798 stress="-0.03263270801186316 0.0016310009496301348 0.001509606256014593 0.0016310009496301348 -0.034543325162468885 0.003142226178213872 0.001509606256014593 0.003142226178213872 -0.020502790243935635" free_energy=-255.25104798 pbc="T T T" config_type=melt 
Li       7.52799002       4.53062995      11.18110006       0.16808352       0.96174236      -1.24873917
Li       3.84962996       5.82960000       0.68929698      -1.38433541      -0.28984269       1.04374984
Li       7.98873996       0.57325695       0.60719801       1.32710053      -0.09761002      -0.33293858
Li       2.45530004      11.21494125       4.24565000       0.54152742       1.23829359       0.90785620
Li       7.18069003      11.01049999       4.02102004      -0.00168117       0.09948852       0.88219761
Li       2.55936005       4.93408000       8.85286006      -0.11898433      -0.03345913      -0.64987270
Li       1.72360996       9.74161002       7.56332001      -0.05943576       0.31575058      -0.16301793
Li       5.50470997       2.52127999       2.15565004       0.32244627      -0.98853105       0.92476996
Li       4.99678006       2.17941999       6.15124997       0.04006707      -0.49557888      -0.41450971
Li       0.22812897      11.00450000       0.69132301       3.89520566      -4.42517830       0.25217918
Li       2.47358995       1.75761003       8.67273001      -0.23956670      -1.17129373      -0.51883814
Li       9.50917003       2.73724000       2.16859005       0.15803462       0.22761948       0.13912986
Li       0.76690002       3.05895999       5.71434000      -0.70214309       0.01555614       0.22735737
Li       6.46896997       0.83153096       9.54324999      -2.73608907       0.27324347       0.20014842
Li       3.31160001       8.34837003      10.19899997      -0.33570576       0.24653030      -1.10035327
Li       6.50798995       7.70309005       9.80739002       0.74309742       0.30887623       0.26581765
Li       6.50909996       5.31060003       4.57930995       0.66053518       0.11550306      -1.05095045
Li       8.28630997       8.38098003       1.67748996       0.52028630       0.11416878      -0.77767672
Li       0.05442226       6.81906995      11.07180000      -1.05755143       0.06351071      -0.56396067
Li       9.39075997       0.55971700       7.19511997      -0.68938203       1.55949060       0.92301535
Li       9.98452001       2.53717001       9.76117005       0.77884565       0.55216992      -0.04457121
Li       4.01891996      10.86220004       0.65215099       0.57232447      -0.17203357      -0.71395699
Li      10.21299995       5.72857000       2.93265002      -1.62344360      -0.46767395      -0.60087183
Li      10.16069999       9.59722995       9.05550003      -0.30069547      -0.02728926       0.41218896
Li       1.63497995       3.17615995       1.43152000      -0.51655659       0.09034855       0.53856331
Li       5.12491005       9.84905000       7.64608995       0.02426458       1.76979984       0.00132015
Li       5.57707005       4.99455005       8.61686001       0.27667176      -0.16595205       0.18032477
Li       8.98525002       3.41534002       6.04860999      -0.04737562      -0.98602629       0.67544826
Li      10.47419996      10.20510005       3.92409001       0.34458682       0.06303599       0.58668995
Li       4.07305005       7.00183999       6.33385002       0.96603700       0.13324515      -0.26101864
Li       4.54551005       8.84297003       3.80017005       0.31806415       0.88588275      -0.14799878
Li       9.70250006       5.62066001       8.24996005      -1.40580507       2.51316464       1.40255939
Li       1.71980004       8.04432003       2.33559001       0.63896372       0.22042246       0.63207850
Li       2.84671004       5.16091999       4.20214004      -1.08587245      -1.09039367       0.24377870
Li       0.52946301       6.82076005       6.19955005      -1.39761206       0.25556787      -0.88445201
Li       7.99975997       8.35273995       5.90294005       0.04547499       0.29070442      -0.13960088
Cl      10.68799997       2.26963003       3.95094002       0.02430957      -0.60138670       0.19561181
Cl       8.79919000      10.49649996       2.69612005      -0.31783759       0.87725386      -1.68193690
Cl      10.78719996       4.39881996       7.35231001       1.65904116       0.27848702      -1.74367947
Cl       7.53018996       1.36335998       6.32108000      -0.20076352       0.87278037      -0.02935251
Cl       5.84500003       9.40309005       5.58836002       0.39028905      -0.41444259      -0.42718500
Cl       0.66493796       6.01879000       3.90326995       2.38308939      -0.54354373       2.34618297
Cl       7.39628999       3.19802001       1.47754003       1.11623800       0.49628677       0.89091998
Cl       8.22067998       7.83740001       3.68728997      -0.66803839      -1.26467683       0.86110082
Cl       3.98186004       3.15374999       7.98807000       0.19078295       1.00582340       0.93612819
Cl       6.92597001      10.10010001       9.51312997       0.46337356      -2.11832325      -0.06294436
Cl       5.41018004       0.96945797       4.17088005      -0.96445007       0.84675599      -0.89354951
Cl       8.87818995       7.46765001      10.29929998      -0.29930726       0.09699026       0.86120843
Cl       1.21963999       9.63127995       9.92600003      -1.90350168      -0.08938291       0.78726706
Cl      10.82480003       7.88765004       7.98415999       0.16017147      -0.90357392      -1.03719682
Cl       9.70403004      10.23590001       6.05515999      -0.14900952      -1.97431597      -0.60369943
Cl       8.25183999       1.48642002       9.43846000       1.73734450       0.75503000       0.13710348
Cl      10.98109997       7.50264003       1.80872997      -1.17768654       2.04454960      -1.11403839
Cl      10.32889995       1.12912005       0.60231296      -2.67731598       3.99763613      -0.65014208
Cl       3.78851004       3.53702996       1.80455000      -1.08344668       1.29240192      -0.93412983
Cl       2.25585995       6.12214998       6.92037002       1.31244779      -0.63991432       0.75791301
Cl       5.60821997       5.92724004      11.01299996       1.74902260      -0.41162405      -1.06003838
Cl       5.00066000       7.92972000       8.25941003      -1.25784664      -1.61199316       0.71754973
Cl       1.97136000       6.13187003      10.57489998       0.91268202      -0.53166345      -0.47765132
Cl       6.05832005       5.56161997       6.54211995      -0.68785500       0.17551234      -0.11996269
Cl       1.23562000       9.54482003       4.61584006       0.21786228      -1.31296780       0.33914619
Cl      11.13910000       1.81774000       7.67983005       1.21675575      -2.23682282       1.04124552
Cl       3.24654000       0.30410902       6.58997997      -0.44091356      -0.46959553      -0.22811611
Cl       3.65052996      10.78770005       9.46972997       1.43266555       1.07192350       0.67912983
Cl       6.02223998       0.74178903       0.99522602      -1.96719108      -1.32962458      -0.64342485
Cl       8.76532995       4.79849004       4.54922999      -0.69118672       0.57920507      -0.84818740
Cl       7.88638003       4.60158998       8.75675998      -0.35672320      -0.38275189       0.86760659
Cl       3.73389995       8.14329000       1.00576996       0.37489619       0.65770204       1.18894390
Cl      10.82950005       4.40271999       0.85220696      -0.12001811      -0.47617961      -0.23674980
Cl       2.53525001      10.99309996       2.14114997      -0.85841568       0.37425318      -0.76667253
Cl       2.54040995       2.99671995       4.61729004       1.01020247      -0.08790116       0.12608780
Cl       3.90824005       6.87385002       3.92745999       0.83095143       0.07483998      -0.00033370
72
Lattice="11.18717708 0.0 0.0 0.0 11.18717708 0.0 0.0 0.0 11.18717708" Properties=species:S:1:pos:R:3:forces:R:3 energy=-256.37556618 stress="-0.02684371978822474 0.003876715905952134 0.0020543016402002913 0.003876715905952134 -0.03392408430155518 0.002195474827390516 0.0020543016402002913 0.002195474827390516 -0.020774431206829407" free_energy=-256.37556618 pbc="T T T" config_type=melt 
Li       4.78050999       2.15871998       5.57702995      -0.00376258       0.08887214       0.24210297
Li       8.46063000       0.96426295       0.18379100       0.77216341       1.85385184       0.52390318
Li       5.90313001      10.10939997       3.49810005       0.33840804       1.13097798      -0.70647137
Li       7.70137006       7.02011997       7.83546996       0.76621644       0.89548301      -0.58766190
Li       2.54762004       4.10143000       7.87852001       1.45263224      -0.95178233       0.65860340
Li       3.46904002       6.92450999       3.05358999      -0.17088756       0.18162967       0.06965362
Li       2.43692997       0.62478997       1.78730995      -0.20885380       0.49453881      -0.31279633
Li       5.89323003       5.21765005       5.76392002       1.09992340       0.57921514      -0.40863147
Li       5.40956999       4.08862001       2.09532001      -0.95796414       0.05869151      -0.99764905
Li       0.50166703       6.32748995       8.68683003       0.18693267      -0.93916063      -0.36817880
Li       9.46898006       9.11587997       9.60449995      -0.42438841       1.00792008      -0.37194774
Li      10.49560000       3.32452004       9.51409996       0.72524652      -0.96565267      -0.27581797
Li       2.09192000       4.20146998       0.75690203       0.40346371      -0.30841524       0.12830413
Li       7.19305001       0.92763099       7.62873999       0.16165239      -0.44516693       0.87249433
Li       5.27425001       1.05724999       0.16101704      -0.10462278       0.12350164      -0.10315287
Li       2.18221998       9.27607005       8.94501005       0.17251705      -0.61073060       0.21105475
Li       0.05126267       0.72127702       3.36029003      -0.49161827       0.33991135      -0.04510408
Li       4.07980004       8.63735999       0.09763240       1.38880047       1.02328960      -0.49351537
Li      10.08750006       3.94428998       1.56480002      -0.24332692       0.19948236      -0.15929034
Li       7.51630998       3.79884997       9.05413995      -1.34999954      -0.36495710       0.72932231
Li       1.57446003       4.05790002       4.65946999      -0.11892414       0.56618241      -0.11235395
Li       8.65367000      10.25460001       5.23028004      -0.55369941       0.06738868      -0.36022838
Li       0.44838295       6.82042998       0.50209695       0.32789071      -0.00648043       1.28185954
Li       4.94726997       5.81126997       9.49265000      -2.42302888       0.68022509       1.77481431
Li       1.75403996       9.72553995       5.22160002       0.65984097      -0.02645075       0.32398771
Li       5.06678996       9.05428002       6.57497000      -0.00264573      -0.03056213      -0.06599860
Li       6.32106001       9.70414000       9.28450004      -1.40271881       0.98275364      -0.85865657
Li       7.50233999       2.33691000       3.61080001       0.73223783      -0.94556713      -0.54987180
Li       9.44487997       3.74972998       6.06377004       0.43923149       0.19034303      -1.47877349
Li      10.69170003       0.55828802       7.06351000       0.69205900      -0.05762902      -0.21734792
Li      10.80249996       6.71446996       5.01980997       0.18555760       0.15234077      -0.11836502
Li       8.13688999       6.51641005      11.18609998      -0.36838684      -0.26274412       0.20746251
Li       7.88975999       6.61182000       3.50171004       0.04769592       0.11104427      -0.08015526
Li       9.09484002       9.81500996       1.51267997       0.53054719       0.36907459      -0.08920364
Li       0.77712005       0.91101703      10.63259996       0.81865798      -0.68882729      -1.19648124
Li       3.47432003       0.87167799       8.20340000       0.89288158       0.43273001       0.32639931
Cl       7.42698999       1.48179004       5.68772002       2.13840951       1.34636138      -2.57568234
Cl       2.06195996       2.43524003       9.09160995      -0.57715009      -0.30403771      -0.25074562
Cl       7.60603002       9.43402997       7.20634004       0.47870657       0.18369984      -0.92811518
Cl       7.42786002      10.51449995      10.88830001      -0.40340653       0.64412380       1.27303092
Cl       4.09251001       7.85061997       8.26749995      -0.27115636      -0.44141726       0.10256283
Cl       8.90827002       0.71140098       2.62416997       0.01968812      -0.28821277       0.41483134
Cl       9.88439004       7.01858006       2.17910995       0.42482139      -0.92146796      -0.41751048
Cl       5.34841003       0.09256114       6.34450006      -3.03280161      -0.98958094       0.35528375
Cl       0.49438004       4.92966001      10.56780003       2.50092702       0.21835709       0.46521643
Cl      10.80429997       9.71684998       5.33017001      -1.03005815       0.59202610       0.01969602
Cl       6.46127002       5.55884005       8.43684002       1.53850691      -1.19689654      -1.72827468
Cl       3.36581996       2.35271995       0.60920903      -0.07355361       0.28929326       0.28133571
Cl      11.14909996       7.82327997       9.94330003      -0.30380338       2.27564154      -0.63974683
Cl       9.06695005       4.63802004      10.24560004      -2.13334288       1.24689783       1.56933815
Cl       4.43411002       4.26048995       6.75226998      -1.32301327      -1.29870921      -0.46322561
Cl       3.76193005      10.47019996       9.96557997       0.68900808       0.31265023       0.78481940
Cl       4.32312998      11.02619998       2.11013004       1.18478945      -0.86613289       0.63090095
Cl       7.74977003       8.93708997       2.85600006      -0.69134147      -0.29626346       0.90559937
Cl       6.74041000       2.65521998       1.02946999       0.58817567      -0.47486053      -0.17238172
Cl       1.84035999       7.51954006       4.71298005      -0.09878978      -0.33185416      -0.09284799
Cl       9.96203005       0.53321901       9.14449006       0.23600788      -1.04902041       0.45566098
Cl       0.55974403      10.69420003       1.28857004       0.37213850      -1.73399311       0.52038098
Cl       8.89925997       2.98413004       7.83000995       1.08297987      -1.03423617      -0.25270711
Cl       1.91648996      10.81980003       7.50404000      -1.23685694      -0.60614439      -1.35289672
Cl      10.97269999       2.11449002       0.68059205      -1.13236903       2.24912425       0.53208696
Cl       5.85301000       1.97131999       8.93525998      -0.35955113       0.16987957       0.69510918
Cl       7.46429006       8.12222002       9.69625998       1.21848220      -3.09597474       1.34921246
Cl       2.95774005       4.61058002       2.93110002       0.20140195       0.22381415       0.19708309
Cl       2.68709001       7.50790002       0.85769603      -1.71423181      -0.98298997       0.82575726
Cl       5.11695002       8.50042995       4.38541995      -1.02156467      -2.09454593       0.84840403
Cl       1.06449995       5.02822005       7.06371002      -2.07270404       1.09942928      -1.54903434
Cl       1.44791001       2.00120005       5.08816005       0.43677557      -1.62759417       0.13210334
Cl       8.70603997       5.83948996       6.17587003       0.34448698       1.02381514      -0.93043963
Cl       6.77177001       4.28511002       3.70027002      -0.11623923       1.81953715       1.26176050
Cl      10.33949995       3.51512996       3.78941996      -0.33443438       0.81071025       0.20252911
Cl       5.47012003       5.91996996       0.54456102       0.50133391       0.20325017       0.13859660
72
Lattice="11.17935237 0.0 0.0 0.0 11.17935237 0.0 0.0 0.0 11.17935237" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.85575078 stress="-0.03484728000969218 -0.009133526697383201 0.003218789772019622 -0.009133526697383201 -0.028505323818291482 0.004831051595382261 0.003218789772019622 0.004831051595382261 -0.03585883924664494" free_energy=-253.85575078 pbc="T T T" config_type=melt 
Li       1.57145004       9.24308999       3.23838002       0.16181210       0.06271092       0.31780783
Li       9.75292000       9.33285002       2.96120005      -0.64057182      -0.93897861      -1.17144839
Li       9.06418000       3.43289001      10.47459996      -0.61655141       0.19636676      -0.21672838
Li       9.67121995       9.85981998       5.96232995      -1.79997325      -1.28922093       1.25826759
Li       1.91673999       4.18581001       3.46698995       0.23762845       0.25491460       0.01781146
Li       3.93593997       6.40994999       1.57836994      -1.51108769      -1.47809156       1.94826650
Li       3.58823997       1.55634997       2.58646994       0.09262646      -0.32242586      -0.42951216
Li       5.91538002       8.80351998       9.63770000      -1.12073334      -2.01662599       0.46608427
Li       6.00095003       3.73551005       7.96877004       0.59490434       0.02795196       0.14661121
Li      11.06380001       5.45694999       8.83966998      -0.51264477       0.24862985       0.49383646
Li       7.74508003       6.49108000       0.57526398       0.49464662       1.35973090       1.03175981
Li       5.69670004       3.97840004       4.23128001      -0.31309207       0.19193902      -0.52701097
Li       9.64036002       2.86927995       6.59134001      -0.18764092      -0.02391701      -0.75597908
Li       0.83750197       0.97001195       8.18918997       0.52365983      -0.19339162       0.47103029
Li       4.29213996       1.54742997       9.93376000       1.03766750       0.44582838       0.20807789
Li       3.50321999       6.96518001       9.62676995      -0.34463777      -0.42999171      -0.16417705
Li       1.86618002       3.71534004       0.01131574      -0.25096956       0.44197738      -0.35703736
Li       5.75627995       3.86108000       0.61694095       0.05343950       0.10259707      -0.41901363
Li       6.92062996       0.43351304       4.23237000       0.79087654      -1.01795994       0.99147601
Li       2.34341998       9.59212994      10.75150000      -0.25201881       1.01941304       2.79974121
Li       0.72208398       7.26093995       5.62971995      -0.78839026      -0.75739778       0.48463923
Li       0.22641397       6.83245997       1.54873997       4.53223285      -0.74430306      -2.67461423
Li       3.87319999       6.16353001       6.05277001      -2.06993554      -1.26820045      -1.93744518
Li      10.17449997       8.99276003       9.45901002       1.34080280       2.35195084      -0.18412714
Li       4.63938998       1.26843995       6.09405994      -2.56813061      -0.04919119      -1.76037097
Li       7.92350998       0.33242699       7.88837999       0.73893725       0.56951978      -0.05982435
Li       7.72937002       0.30122899       0.15964003      -0.08645910       0.44169104      -0.11889993
Li       1.17717999       1.20250994       5.17105002      -0.26462703      -1.23307580       1.34710711
Li       2.64544997       3.53643005       7.42779995       0.04452813       0.27514038       0.19695210
Li       0.33217500       0.68344300       1.05508000       0.59469586       0.00723349       0.20189254
Li       8.30762001       6.71623998       4.07758001      -0.38234905      -0.20215975       0.35519340
Li       8.92805998       2.58384000       2.77755996      -0.38440162       0.16620929       0.21183782
Li       7.71441998       7.08648001       7.57256999       0.16898913      -0.43159620      -0.03223393
Li       5.07263002       8.62378003       4.76223005      -0.47291034      -2.04986835       0.81000244
Li       3.05667004       9.66450999       7.15259995       0.40270869      -1.12790046      -1.40839244
Li       4.92503999       9.38460997       1.93311002       0.00769915       0.57417199       0.20569374
Cl       7.63818004       5.25857999      10.24149995      -1.73406572      -1.85312531      -1.85824732
Cl       2.35631000       8.44356004       5.24344002      -0.05673777       0.58791803       2.69397205
Cl       1.51147997       6.46049005       3.70780997      -0.40032829      -1.87575877      -1.66995833
Cl      10.73820003      10.18070004       4.44507998       2.95436665       1.11446860      -1.23898359
Cl      10.18880004      10.97599995       7.62988999      -0.13122324      -0.07169061       1.47307819
Cl       1.55527005       1.87444000       3.36651999      -0.51762622       0.37819445      -2.01661298
Cl      10.74049996       4.71688000      11.06990003       0.62839872      -0.13986141      -0.50470830
Cl       1.99125998       6.27546003       0.31313098       0.95339613       0.79692189      -0.55816257
Cl       2.38902995       9.04689996       8.95135004      -0.37990876      -2.15673982      -1.33981731
Cl       8.82477003       1.52614996       4.77819998       0.37835340       0.36057521      -0.17701722
Cl       3.58244996      10.98560000       0.81964295       2.50803291      -1.93282886       3.15462919
Cl       4.87785004       6.41653999       4.21361999       0.32595317       0.33727427      -1.59788697
Cl       7.30236001       4.66907999       5.48142998       0.66603133       0.29392217       0.67101492
Cl       8.41513005       3.09682996       8.28350000       0.40569227      -0.39041223       0.39054022
Cl       4.03464996      10.15969996       4.20660002       0.02534881       2.90701619      -1.90388534
Cl       8.40613995      10.00140000       1.47377995      -0.74517377      -0.32663870      -0.16215263
Cl       6.85757997      10.45950001       9.37787005       0.72139290       0.60422137       0.02449312
Cl       4.07327999       3.95907005       9.47763996      -0.18915620      -0.15497862      -1.06543739
Cl       6.37799996       1.97579000      10.87230005       0.01444431       0.05163420      -0.15495296
Cl       3.38469001       3.80515004       5.27333998       0.98072685      -0.54488041       0.28514769
Cl       5.10558999       7.27165994       0.30986504       1.68233638       2.05138688      -1.68329668
Cl       7.02540005       5.01861005       1.94591005       0.08228669      -0.60723851       1.92056975
Cl       2.79040995       0.47227196       6.93620995       0.02185243       1.08339376      -0.43581406
Cl       0.68993899       2.60956000       6.73416999      -1.03870220       0.64765648       0.22083149
Cl       9.93293004       7.00812997       2.46464005      -5.64183869       0.67709467       2.83739992
Cl       9.19981997       7.37024003       9.52152004      -0.45658446      -0.65652035      -0.16471447
Cl       6.32954003       1.29328997       6.88276001       1.22830942       0.34262667       0.49466854
Cl       0.53684402       9.68858998       1.14029998       0.08780656      -0.66818969      -0.18559071
Cl       3.58663998       3.65258005       1.39398005      -0.02989570       0.02243820       0.93990590
Cl       9.83771997       1.99534995       0.85290901      -0.40511415      -0.63998185       0.03279328
Cl       5.69666002       1.30688999       2.92909004       0.14082414       1.51534815      -0.43659890
Cl       2.41340999       0.71860396      10.06549994      -3.89561309       2.25115175      -2.55047339
Cl       6.99933998       9.07640004       4.63055002       2.34281763       0.43213906       0.11270699
Cl       9.65958001       7.45348004       6.34807998      -0.13363471       0.04267780      -0.47731184
Cl       1.48366004       5.55326995       7.37013003       0.16954264       0.67638150       0.18285791
Cl       4.77065000       6.96600002       7.49554995       2.18695938       1.68072341       2.99974010
72
Lattice="11.18228652 0.0 0.0 0.0 11.18228652 0.0 0.0 0.0 11.18228652" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.63384212 stress="-0.037244921412100035 0.004891974653884552 -0.002312615239729255 0.004891974653884552 -0.0343384449852534 -0.008476589181047175 -0.002312615239729255 -0.008476589181047175 -0.03730717199590284" free_energy=-251.63384212 pbc="T T T" config_type=melt 
Li       2.22041005       1.99743996       5.58767004      -0.78762411       0.06745747      -1.15123797
Li      10.09990000       9.26588996       1.99029995      -0.54961720      -2.00626586      -1.49683234
Li       7.19587999       3.40368998      10.64050004       0.60882913      -3.39789797      -3.81951940
Li      10.01499995       9.20751004       6.50726002       0.77577849      -0.21398571      -0.19307136
Li       2.73799996       3.94752997       8.03750997       0.11318518       0.14623513       0.11420235
Li       4.50346003       9.83001999       3.28066995      -2.86375645      -3.03466490       0.01832590
Li       3.53197999       1.92277997       1.61721001       0.04013541      -0.25114381       0.05792881
Li       7.58241003       6.41827004       8.45408000      -0.03304659       0.38357825      -0.40630691
Li       4.54544996       5.90560000       9.94965995      -0.70676289      -1.41469776      -0.76278259
Li      10.79680000       4.84861003       8.09329001       0.31874388       0.17577670      -0.29504012
Li       7.16375999       7.46234996       1.14096000      -0.58831005      -1.36148478      -0.55885505
Li       7.92950004       3.90091001       6.26037001      -0.34723429      -0.64905399      -0.19102466
Li      10.50650002       1.94773995      10.67019997       0.31197807      -0.25636218       0.02154498
Li       9.66337999       9.59787997      10.06180005      -0.93200568      -0.30294841      -0.25584948
Li       4.70257999       1.73386004       8.91225999       0.83117433       0.29506455       0.99860495
Li       1.06335002       7.59985004       8.30654997       2.27515967      -0.74511742      -0.33316612
Li       1.53106000      10.30549998      10.94440004       0.09769341       0.46197199       0.65568124
Li       1.70476004       4.13748996       0.42199198       0.18211466      -0.34923702       0.50110763
Li       7.94737996       3.68981003       2.37287997      -0.00173481       0.39233424      -0.72041410
Li       4.70894998       5.64985004       6.00346000      -0.59274988       1.82475624      -1.83643389
Li       1.61229003       5.66458002       4.30749001       0.16462725       0.13328667       0.49037535
Li       9.65803005       5.70459002      11.06750001       0.24483893      -0.28441918       0.23064047
Li       0.93265704      10.41670000       3.98044995       0.82973031      -0.16797049       0.33606086
Li       2.69496997       7.16015996       1.17633002      -0.77527807       1.39005567       0.42061311
Li       5.57578998       1.59546997       4.48276005       0.19105146       1.19973151       0.78168301
Li       7.28439002      10.94939997       7.32391996      -0.15575527      -0.55264889      -0.96512548
Li       6.27041998      10.44050004       0.69639903       0.44609545       0.34993551       0.03706617
Li      10.29400001       1.48920000       6.07722003      -0.39552779       0.51115886       0.06175951
Li       1.87602000       0.10543599       7.47156998       0.91248228      -0.14961595       1.81698152
Li      10.41049998       2.04900002       3.01599999      -0.70806266      -0.52112803      -1.36341151
Li       5.16834995       5.01094999       2.33967998       1.64529207       0.25998698       0.73406970
Li       9.85998002       6.13044995       3.62414003       0.14238682      -0.08213011       0.34710830
Li       7.42966000       7.41036004       5.28930998      -0.22080630       0.25228432      -0.14809071
Li       8.20016002      10.98350002       3.54572000      -1.94580995       0.25745407       0.43205208
Li       3.37395002       8.72134001       6.07102002       0.23121127      -0.81277260       0.25895166
Li       5.03028002       9.13658001       9.34676004      -0.25223272       0.66302318      -0.04169494
Cl       8.94959004       4.75983005       9.14823006      -0.91175439      -0.41688136      -0.20510272
Cl       3.40567003       1.83957995       7.26388998       0.99989964      -0.14360275       0.31154429
Cl       5.50007002       8.18579000       7.51436001      -0.52698785      -1.42721633      -2.13938077
Cl      10.15449998      10.75821854       3.19623005      -1.00762995       3.65285258       2.11279575
Cl       2.58954001       9.68343006       9.11055995       0.88367143      -0.60527265      -0.66060457
Cl       0.66876302       7.44885999       5.79741004      -0.58662056       0.53624694      -0.99783547
Cl      10.49110000       8.35685997       8.43980000      -2.24512491      -0.24714774       0.14726259
Cl       5.18065997       7.53831000      10.75770002       1.12273271       1.82558306       1.49024787
Cl      11.06719999      11.04187647       9.46740002      -0.17121118       2.00763035       0.54267178
Cl       0.66840999      11.14486231       5.91793004      -2.76892304      -0.14230795       0.25385789
Cl       4.16913001      10.86410004       1.02149002      -2.02277901      -0.55029765      -1.51980768
Cl       8.17900000       9.75374002       5.56335002      -0.44579263      -0.60199789      -0.25125941
Cl       8.86840004       5.81738999       6.08710998       1.06598033       0.93698158       1.27565177
Cl       0.56411504       2.81403001       7.56541005      -0.52598138       0.78271379       0.82460951
Cl       3.24219003      10.66539997       5.14263997       1.09063625      -0.17912302      -0.68958932
Cl       7.49811002       1.59806996       6.66639995       0.47419676       1.56565169       0.24236133
Cl       0.57289996       6.02787003       2.44181004      -0.26571958       0.14316797       0.05311459
Cl       4.12198997       3.81775003      10.06389997      -0.60702989      -1.20996256      -1.36762563
Cl       6.27931001       1.55369999      10.77559995       0.03229390      -1.11131118      -0.24039421
Cl       4.56360004       7.56420997       3.41141996       0.01220551      -0.20103137       0.47446601
Cl       9.18745998       7.83195998       0.15339000       0.80082350      -0.84146238      -0.76555677
Cl       7.16993004       4.70288996       0.62143198      -3.11458140       5.88054882       3.02694346
Cl       7.31398003       9.75163004       8.84881997       1.08626403      -0.17806399       3.16691861
Cl       0.35107996       2.92057998       4.44496001       0.68134924       0.87119313       0.64019372
Cl       9.50282003       3.52324998       0.84813797       2.52562934      -1.60340089       0.19892392
Cl       0.73922999       5.70855995      10.50270005       0.24708811       0.41458660      -1.44366784
Cl       5.80940002       4.35073001       6.75088995       1.56463036      -1.73653512       1.49753795
Cl       3.02988001       6.28584997       6.89544997      -1.00238957      -0.75053672       1.22867667
Cl       0.97656899       9.70488003       2.06508999       3.30427230      -2.36727592      -2.83819256
Cl       5.67577002       0.01661475       3.21808001       4.11013540       2.87948722       0.62011164
Cl       4.08235994       3.58823998       3.55848995      -0.18378640      -1.29762136       0.88389127
Cl       1.09259997       1.59661995       1.16820005       0.55697716       0.83420333      -0.37157241
Cl       7.91281999       2.29620996       3.80263002       0.47814182      -1.13621151       0.47856451
Cl       7.74627996       5.46064005       3.54503005      -0.92965516       1.23775409      -0.56911928
Cl       3.59994000       5.38149004       1.18790995      -1.23250186      -0.61477430      -0.68000285
Cl       7.79969002       9.11516001       2.11106999      -0.99465237       1.58288719       1.49346538
72
Lattice="11.15788981 0.0 0.0 0.0 11.15788981 0.0 0.0 0.0 11.15788981" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.71130635 stress="-0.03562802301502664 -0.006495359272440084 0.0026297817077721272 -0.006495359272440084 -0.0276968268566062 0.00037135123698342265 0.0026297817077721272 0.00037135123698342265 -0.0299201248961328" free_energy=-252.71130635 pbc="T T T" config_type=melt 
Li       0.46675395       1.12720997       8.62640997       6.15465411       2.62120398      -2.53709465
Li       9.79824001       4.64356996       0.54713695       0.06759004       0.09737634       0.28220198
Li       8.24324000       3.46904005       5.67838000      -0.28980572      -0.59443233      -0.05653878
Li       6.59665001      10.08410002       4.75344996       0.78043541       0.08718429      -0.12814813
Li       6.35416998       2.77243000       0.37321903       0.47732444      -0.25387887       0.05728249
Li       1.13300996       3.88834998       7.09228002       0.42662640      -0.22958867       0.18977515
Li       7.09541003       5.63102000       2.88894995      -0.00996447      -0.09405420       0.16455201
Li       5.40663997       6.54669000       6.63493005       0.25799893       0.38258479       0.12196347
Li       9.22351005       5.15066002       8.19493995      -0.22575935      -0.04294462      -0.05257175
Li       3.89244001       1.13846003       5.39237004       0.06590965       0.41818391      -0.21563636
Li      10.93380000       8.25515998       9.67395005       0.40682767       0.10202269       0.13214970
Li       1.70536998       4.48590006      10.76880002       0.06254180      -0.23376046      -0.26079943
Li       0.36585605       1.08050996       4.91315998       0.13544733       1.03839934      -0.29098837
Li       5.39523003      10.63759997       1.51581004      -0.16138379       0.29411553      -0.07693649
Li       3.51642002       9.91978001       6.63285000      -0.40109637       0.10566763       1.34855473
Li       0.10394400       4.44521002       3.97566002       0.52312846       0.02003858      -0.75830140
Li       8.53308996       7.07363005       5.45749998       1.35483516       1.91920214      -0.17873462
Li       3.33681002       0.85684806      10.00770005       1.45102012      -1.04640229      -1.22205120
Li       4.49222000       3.63579003       7.49499002      -0.55315787      -0.22171271       0.65882146
Li       9.72353995      10.24349996       7.25067006       0.49759452       0.41943940      -0.32066021
Li       8.84431999       1.79189004       3.03959005      -0.09361012      -0.58430587      -0.11860886
Li       3.46541998       5.56978004       4.34064999       1.21180715      -1.32779944      -1.84391733
Li       3.12259996       8.72748004       3.02193002       1.60355083       2.05136339       2.56333453
Li       7.30041003       8.13506995       1.60175001       4.34551227       0.64677342       3.87125062
Li       8.49825001      10.78799996      10.81910001       0.66399070       0.21102518       0.29492449
Li       0.71435299       8.32501004       5.42802998      -0.49086501      -2.06684270       0.26108082
Li       6.54545002       8.88483998       9.04202999      -0.86730323       0.32109296       0.83978783
Li       3.92706004       6.18891003       1.18150996      -0.02346567       0.33305828       0.17218226
Li       6.80097005       1.42628996       8.37205996      -0.16393680      -0.30269769      -0.07671606
Li       1.13348004       0.24256003       1.34622005      -0.03959964       0.30717616      -0.20075392
Li       6.52528002       5.78008004      10.30909998       0.23829191       0.10441403       0.21270243
Li       3.15808004       2.34789997       1.95098002       0.12596690       0.27005007       0.65507349
Li       3.33626004       8.71536000      10.57470005       0.82903531       1.88352828       0.43221627
Li       0.38532099       7.61974995       1.85457998      -1.65484314       0.16783978       0.47415550
Li       2.12672002       6.68329995       8.16071000      -0.22205856      -1.19955790      -2.35520041
Li       9.56370005       9.73157999       3.44683005      -0.12122805       0.56224631       0.82085138
Cl       7.57302004      10.88380004       1.84894000       0.67469766       0.38004326       1.12600782
Cl       7.98445004       3.65074004       2.22168002       0.69304497      -0.24359074      -0.06217082
Cl       7.71887999      10.11159998       7.84634003      -0.26244167       0.81639015      -1.09312306
Cl       5.04198005       6.69590000       3.45520996      -0.14934811       0.44970386       0.26103022
Cl       7.93748002       8.34414002       3.66974996      -0.94937661       0.26494109       0.95066926
Cl       3.11878005       4.61923003       8.79951002       0.52241681      -0.62876675      -0.49780264
Cl       4.47167999       9.87224003       4.77819995      -0.18583080      -0.71468414      -0.34620162
Cl      10.64410000       9.95154998       1.72439999       0.75489515      -1.13147007      -1.48255224
Cl       9.98739001       7.98782999       6.75641995       1.18068531       0.46917263       1.58177422
Cl      10.44160004       3.93072999       5.91758998      -0.68114813      -0.51660054       0.74760864
Cl       0.97783105      10.20249996       4.86064002       0.80783497      -0.10901001      -0.76989057
Cl      10.28449996       0.51347605       9.39683995      -7.26388699      -3.06713089       3.65733103
Cl       5.44845997       4.65265003       1.12193999      -0.79918056      -0.09516059      -0.87831383
Cl       1.57009998       1.32875003       6.90655995       0.36155484       1.02777860      -0.97415259
Cl       7.17958002       7.00053003       8.35646000      -0.01740902      -1.41202532      -0.32159616
Cl       2.35825996       2.10345995       0.00697647      -1.41241867       2.54142253       0.28313881
Cl       6.44230002       0.01921020      10.36389995      -1.26795353       0.99180373      -0.46535260
Cl       2.29697000       7.15684001      10.00240005      -2.76034387      -1.12507389       2.41041975
Cl      10.28960001       6.48500997       4.09919995       0.98594700       0.50334239      -1.08587045
Cl      10.90739998       1.88017004       2.34065995       0.15560619       0.27251933      -0.14830345
Cl       2.39886999       7.75967000       1.61819004       0.57119530      -0.37151634      -0.97969166
Cl       5.82641005       2.72661995       6.29137996       2.15304845       1.07875293      -1.88085206
Cl       3.78786001       7.96496000       7.89495997       2.03082303       1.00637237      -1.83263434
Cl       3.26006003      10.60070005       0.80975596       0.99921460      -0.74528533       1.35684029
Cl       4.56493998       1.17594005       3.11488997       0.98747970       0.37742459      -0.21104513
Cl       0.81843903       5.55460999       1.35250004      -1.09777760      -2.18128060      -0.15747848
Cl       1.98716996      10.47510004       9.48773000      -1.16510981      -1.28454806      -1.49620722
Cl       8.69189005       6.84270000       0.47507896       1.33546067      -0.76275057      -0.43120978
Cl       4.58703997       0.80450796       7.68488001      -0.90704233      -1.50880606       1.17832127
Cl       2.10963997       5.95251005       5.59708005      -1.78515685       1.01171625       2.31449019
Cl       9.33970999       0.70669098       5.12278002      -1.07800716      -0.24415511       0.23035092
Cl      11.13132031       4.37177995       9.21320998      -0.61856651       0.19333102       0.07776286
Cl       6.07675003       8.07387004       0.39703197      -6.05518003       0.09649574      -4.71325339
Cl       7.53541996       5.48025002       5.28522997      -2.30794269      -1.97745015       0.22488662
Cl       2.19256005       3.12251995       3.82147003       0.19323021       0.72078042       0.62220822
Cl       7.44583003       3.69250000       9.49592000      -0.00502524      -0.24869443      -0.05434068
72
Lattice="11.16721466 0.0 0.0 0.0 11.16721466 0.0 0.0 0.0 11.16721466" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.8649196 stress="-0.04381771612978964 -0.009499997473686767 -0.006796321933946922 -0.009499997473686767 -0.04068263526243062 -0.0030510700047284077 -0.006796321933946922 -0.0030510700047284077 -0.030780843353821582" free_energy=-252.8649196 pbc="T T T" config_type=melt 
Li       0.11873105       9.08920004      10.29909996      -0.07202723       0.40465496      -0.06470237
Li      10.34680005       2.37972998      10.75099995      -0.35552939      -0.71826162       0.46421394
Li       8.80469001       6.90751000       9.38624996      -1.33555180      -0.22371457       0.30751840
Li       6.19628003       8.94724006       8.45252005       5.87158977       1.74249026       0.93923236
Li       5.00185005       6.63146002      10.31599998      -1.29988813      -2.28866033      -1.22295132
Li       9.66510000       5.33848004       1.82102005       0.26998013      -0.21866815      -0.20240556
Li       7.58461999       0.73036096       2.24901997       0.78306239       0.59402028      -0.49629500
Li       6.99720004       3.48916998      10.06650006       0.04112906       0.54602964       0.14701235
Li       3.20821000       9.19921999       9.62017999      -0.23812844      -0.27671241       0.33371135
Li       7.58314000       1.45992001       5.93153999       0.78437869      -0.89894037      -1.23356887
Li       7.53520004       9.18092006       0.64666202      -0.06800383      -0.00062261      -1.11956137
Li       5.95915998       4.89403004       7.24698003      -0.60562451      -0.67367075      -0.81729191
Li      10.23230003       9.12160997       2.67747997      -0.34883836       0.43034537       0.45524892
Li       4.22797001       1.18520999       3.46200997       0.06737235       0.03259513       0.02753209
Li       0.97877800       5.88070996       7.87095999       0.31893512       0.30373312       0.20649881
Li       9.93709996       2.99970002       7.76355003       0.02386947      -0.54341695       0.00347654
Li       6.36865001       3.72445001       3.62013003       0.29047453      -1.14612038      -1.07031258
Li       1.06705003      11.10450003       4.39168003       0.25253495      -0.08770302       0.63523507
Li       4.62636005       0.99167200       7.50297000      -0.66424320      -0.58844124      -0.09932486
Li       9.87970003       9.82476995       6.40512001      -0.04878429      -0.50215025       0.47029423
Li      10.60960001       2.37476001       4.24412997       0.27108127      -0.18374885       0.32584272
Li       1.88758000       3.74646003       2.42183005       0.17535522       0.00957667      -0.48539360
Li       4.20305997       5.90169997       4.63131997       0.02402330       0.21102543      -0.44533815
Li       7.35053998       6.81859998       3.71530998       0.43623057       0.85657578      -0.69576943
Li       4.78219005       1.53992998      10.89039996       1.02966813      -0.23274241      -0.41396168
Li       2.44520995       3.01463002       5.65083999       0.88274736       0.48445311       0.16621024
Li       8.57831996      11.02579998       9.42034000       0.05889074       1.53605803       0.06382724
Li       3.35509997       8.53269005       6.38710998       0.37714230       0.40978981       0.87625151
Li       1.33987000       0.81922597       8.21096996      -1.49199415      -2.19199469       0.22585931
Li       2.03214998       0.48488303       1.10739003       0.15572395       0.32348433       0.04767614
Li       7.14076006       9.62802998       4.78732004      -0.17669100       0.10337047      -0.14612717
Li       2.88527995       3.63212998      10.06380005      -1.64515103      -0.67575241      -0.07024034
Li       4.01553999       8.50077995       2.60809003       1.31962411       2.33987471       1.10992760
Li       1.28613001       6.40145002       0.36737099      -0.19247097       0.03023794       0.41705796
Li       9.33060998       5.98025998       5.64771998      -0.94829057       0.43344774      -0.53659641
Li       0.90232602       6.41103998       4.36202996       1.64111593       2.27453802       1.50748019
Cl       5.51957999       7.80709000       4.15716998       0.32556887       0.86269107       0.16412244
Cl       8.09125999       9.09344000       9.36669002       1.34764441      -1.56862444       0.77601318
Cl       2.83138005       5.70543003       6.33720001      -0.16751767      -1.56338436       1.25892968
Cl       8.58276998       3.12265998       4.21064005       0.60184683      -1.39064523      -0.76960023
Cl       3.66772000       2.51458002       1.14370000      -0.56684189       0.02005862       0.71508520
Cl       9.49180995       0.04738685       4.87399996       0.57932229       1.04052735      -0.25494585
Cl       4.58354998       8.49715005       8.20121004      -5.59583356      -2.23738779      -1.94305576
Cl      10.77959997       7.16953004       9.37857004       0.94349430      -1.05161150      -0.28869272
Cl       0.29803699       9.82660003       8.01470002       0.04026088       0.45265379      -0.08515295
Cl       4.82297997       4.05151004      10.11699999       1.44010748       0.68472800      -0.54142108
Cl       5.83269004       8.08333998       0.01770685       0.36855167       1.64085054       1.79528877
Cl       8.72831999       2.21510000       9.52834003      -0.07933786      -0.17858529      -1.60863568
Cl       6.97017002       5.15555995       4.87634005      -0.37394568       1.91267316       2.38236181
Cl       2.60694003       2.22747004       7.99650997       3.42094400       3.20908201       1.22823039
Cl       2.97564997      10.64850000       5.91408999       0.46870750       1.10747816       0.16442064
Cl       8.04237997       4.74211996       0.62257099      -0.57445660      -0.25735349       0.36246160
Cl       0.12588533       5.04632002       3.31888000      -0.65782810      -2.65697558      -0.75456455
Cl       6.94471000      10.40109996       6.97261006       0.18069299       0.57189808      -0.72819621
Cl       0.72366198       1.98224001       6.21123997      -3.20562175      -0.81249745      -1.00642367
Cl       9.15672997       8.19373996       4.66877995       0.47503861      -1.71265132       1.08297521
Cl       7.06321000       0.39169798       0.15236604      -0.72844592       0.52034666      -0.53520051
Cl       1.08078001      10.00439996       2.41776998       0.27381568       0.17058103      -0.39199897
Cl       2.59398003       7.02038005       9.84255005      -0.03941139      -0.59902756       0.14275023
Cl       6.19818002       0.42989499       3.69632002      -1.34853635       0.46696236       1.41661158
Cl       3.51483000       0.11194496       9.91883006       0.38256944      -0.56075654       0.23797117
Cl      10.43219998       7.38492998       1.48774000       0.01951288       0.04350088      -0.91523537
Cl       0.39033100       3.80073996       0.18715705       1.66583265       2.18792525       0.60627157
Cl       4.46804000       3.20279000       4.39493003      -0.08754296       1.22309828       0.45375389
Cl       7.99511005       9.81609001       2.51569998       1.25111364      -1.16210966      -0.01135659
Cl       2.17229004       1.77236997       3.50796004      -2.43588236      -0.40409111      -0.07441245
Cl       2.53535003       7.94937003       4.67987000      -1.83167619       0.23956251      -1.42630671
Cl       0.56377002       0.76605205      10.62150002      -0.56529715      -1.00713176      -0.15993367
Cl      10.55750004       4.69206002       6.69064001       0.43881828       0.81087501       0.38445420
Cl       3.09354996       7.01312996       2.01354998      -1.77427220      -3.70920969      -2.19940850
Cl       6.20563995       2.40699999       7.05609995      -0.48438143       1.39691985       1.06548469
Cl       7.18143999       5.52554999       8.77816999       0.70927421       0.69465037      -0.15291110
72
Lattice="11.14586627 0.0 0.0 0.0 11.14586627 0.0 0.0 0.0 11.14586627" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.77926166 stress="-0.033257145278648675 0.0036554512367529364 -0.0020208126419816 0.0036554512367529364 -0.03189867025676674 -0.0032721763767731542 -0.0020208126419816 -0.0032721763767731542 -0.028565846577605986" free_energy=-255.77926166 pbc="T T T" config_type=melt 
Li      10.96499996       8.06943999       2.26562001      -0.32769117      -0.34464683      -0.35513677
Li       1.23181996       4.98048999       9.96444000      -0.42030947       0.64199543       0.69749620
Li       8.12136000       3.78989001       0.05518207      -0.45042691       0.56428290       0.40779777
Li       9.90017004       0.37654704       6.49500000      -0.64279790      -0.10138736       0.70617404
Li       4.74369997       3.39422000       0.67398998       0.54336584      -0.37498969       0.30189771
Li       1.40740001       1.09498005       9.81832995       0.02062931      -0.10177718       0.00905339
Li       6.56824004       8.16717999      10.74610005      -0.10934015       0.26353539       0.98541745
Li       5.55815004       1.08322996       5.89891004      -1.92836391      -2.24327600       0.82732052
Li       8.97306000       7.45147995       5.11342005       0.21656992       0.35217818      -0.62728720
Li       4.65108997       3.37095000       8.60498995      -1.23085367      -0.10201695      -1.48623989
Li       8.31159999       9.15078998       8.35216002      -0.00328552      -0.38085778       0.67228641
Li       1.39739002       9.77599004       5.05587997       1.32609482      -1.23416533       1.71244701
Li       6.29504996       0.82887305       2.00393001       1.43359814       0.25268858       0.47720726
Li       5.64467005       3.49570000       3.64456998       0.68019028      -0.35943252       0.76762356
Li       3.00032999       5.76863003       7.33413995       0.30298974      -0.07178447       0.53277760
Li       8.73444005       2.58679005       5.10244004       0.02990348       1.05219925      -0.40627396
Li       6.99187001       9.87305003       4.28171997       0.22699533       0.59004591      -0.11740219
Li       2.26217003       1.36280005       2.41821004       0.69638195       0.44365088      -0.81553019
Li       3.35571003       6.10597995       0.95658795      -0.27390058       0.31337629      -0.23926691
Li       6.92171002       1.75408996       9.03301997       0.01897808      -0.41690455       0.08651251
Li      10.03970001      11.06580005       2.83950997      -0.19314840      -0.31087240       0.30591961
Li       9.40052002      11.07360004      10.71019999       0.21535321       0.09541077      -0.42174723
Li       1.93520995       2.04409001       6.19700000      -0.03838506       0.40213632      -0.25006469
Li       9.65234995       6.40351005      10.60110002       0.21864477       0.99723632       1.53778651
Li       1.97996004       8.99609996      10.84550000      -0.16529661      -0.52232239       0.23870513
Li      10.45690004       3.05814004       8.41139996      -0.09955254       0.79048169       0.67313200
Li       3.40240999       6.70021000       4.44091995      -0.04359829       0.51875905      -0.30641761
Li       3.02685002       4.05169002       3.74222003      -1.03817647       0.08459228       0.15523304
Li      10.94729999       4.60137996       3.51535997       0.39514286       0.05122449      -0.41235812
Li       5.43539002       8.00600998       6.64263001      -0.17322502      -0.00776115      -0.22205687
Li       4.67242995      11.06690004      10.53199999       1.35042735      -0.10832162       0.09717686
Li       3.56452996      10.11679998       2.62546999       0.61609195      -0.51182164      -0.00357850
Li       7.29366998       6.51460001       2.71874005       0.36636731       0.13058541       0.09939661
Li       7.00852996       5.78851002       7.78135000       0.48674906       0.29898289       0.44208967
Li       3.27401997      10.47279995       7.18316997       0.56535614      -0.49082517       0.31535086
Li       0.49415800       7.72535005       7.85758995      -0.07550253       0.06155635       0.37220915
Cl       4.74450002       9.89496001       5.38501996      -0.00503448       1.42881187      -0.63104329
Cl       6.98672998       3.17523996       1.96842998       1.03600032      -0.59797430      -0.08679647
Cl       4.50508001       4.77373005       2.48417997       0.39192579       2.61368230       0.17269164
Cl       6.78485996       7.88139998       4.81111997      -1.33464835      -1.91155281      -0.62119145
Cl       5.19858005       5.08669996       6.90465996      -0.30736394       0.11949901      -0.24113907
Cl      10.60389997      10.02229998       5.27084003      -1.26108325      -2.04223085      -0.26221865
Cl       8.38998998       7.48622998       7.12561004       1.53671709      -0.69601522       0.35710590
Cl       2.44465996       3.76062999       8.76016002      -0.77572256      -2.05001067      -3.13226013
Cl       4.46981003       1.12217005       1.19928997      -2.19045561       1.20706733       0.27216890
Cl       6.05465001       3.51364997      10.00119996       1.35986086       0.46652295       0.58421639
Cl       8.33929000       0.59891699       4.62991003       0.74684956      -2.08837065      -1.78613452
Cl      10.40020001       8.54594996      10.09039999      -0.51329345      -0.99047588      -1.40241299
Cl       3.95420003       2.35963005       4.49391999      -0.33038907      -1.83377987       0.84527938
Cl       2.90470002       6.63177003       9.47884002      -0.61271575       1.34809968       0.48689840
Cl       2.14413999       5.21508997       5.40814997      -0.86281722      -0.36225301      -0.30320209
Cl       6.65261002       2.47793004       5.32988002       1.12895712       4.11387226       0.69613096
Cl       7.96073001       0.04056761       8.21771000       1.05671930       0.52349394      -0.62062057
Cl       7.63029999       6.28813005       0.36683699      -0.56621135      -0.06246737       0.22366760
Cl       7.38121998      11.14490003       0.28667803      -0.11699382      -0.11227425      -0.19738903
Cl       8.46180001       8.93153998       2.69148005       1.32768164       0.12784787      -0.83100228
Cl       2.08889004       7.61282004       2.28512996       0.73951320       0.34680460       0.40808409
Cl       6.01664996       8.14966002       8.72927996      -0.54698989       0.29571903       0.27234041
Cl       1.23955999       2.76620996       3.56530002      -2.16660196       0.54455210      -0.14522296
Cl       9.68933004       2.56748005      10.43769995       0.68526274      -1.17860108      -0.08172307
Cl       1.30404005       0.16674305       7.43318000      -0.78656719       0.76529201      -0.54246428
Cl       1.71986000      10.74160002       3.40213000      -0.05531965       0.59200126      -1.29345563
Cl       9.03653995       5.45008997       4.17676002      -0.25931069      -0.45751196       0.14931451
Cl       2.61508004       8.09125000       6.38323003      -0.68107696       0.18703487       0.36079931
Cl      10.39629996       2.44340996       6.42720003       0.70810580       0.87093373      -0.29459162
Cl       0.30124501      10.63229997       0.37737596       0.44641508       1.73437566       1.42221103
Cl       4.81341000       0.81133703       8.05249995       0.65813157       1.26572981      -0.09925530
Cl       9.86410001       5.36837996       8.92529005       0.92004713      -1.21956985      -1.65345064
Cl       2.90885999      10.56900004       9.68766997      -0.87589022      -0.91859064       0.17310903
Cl       4.75084001       9.36065995       0.97607795       0.47249170      -1.65092290      -0.06270009
Cl      10.97717526       5.74383003       1.42810001      -0.37938977      -0.13676229      -0.43981307
Cl       2.80843005       4.09361999       0.22587299      -1.08277905      -0.46373204       1.54641892
72
Lattice="11.1523617 0.0 0.0 0.0 11.1523617 0.0 0.0 0.0 11.1523617" Properties=species:S:1:pos:R:3:forces:R:3 energy=-256.14738456 stress="-0.028819033295433297 -0.002483282509773095 0.0031274208442125836 -0.002483282509773095 -0.024919308134745192 -0.004270082006679098 0.0031274208442125836 -0.004270082006679098 -0.0312954326939084" free_energy=-256.14738456 pbc="T T T" config_type=melt 
Li       7.88421998       0.70836500       9.80316995       1.02391377      -0.83491985      -1.78866525
Li       1.64885002       9.02699000       3.53200001       0.19708245       0.56042225      -0.00361119
Li       7.77787999       1.01690000       2.54403995      -0.66565259      -0.45286629      -0.10224392
Li       5.41525997       9.52813999       4.06671996      -0.55531673       0.67424755      -0.13024642
Li       5.63333001       2.97135005       0.26562506      -0.97965618       2.02916701      -0.43948938
Li      11.15207408       3.33898999       0.55975800       0.37810566       0.16287103       0.22982937
Li       9.64461994       4.64332003       2.87006999       0.51673320      -0.85095428       0.05797280
Li       5.15472005       1.71840998       5.24393002       0.16839222      -0.51945803       0.31801553
Li       6.49058005       3.48836004       7.79928003      -1.24302127       0.89435181       0.54017231
Li       1.93467000       3.19091005       6.17087998       0.66028445       1.58499155      -0.71858894
Li       8.80033999       7.84734994       9.02505997       0.25270728      -0.71355197       0.16590805
Li       2.60541998       0.94255702       2.26884996      -0.14355250      -0.59478212       0.82470778
Li      10.66299997       2.06292004       7.93521003      -2.74312680       0.74151797       1.90139324
Li       6.13502001       4.81343002       4.06535000      -0.31295880      -0.19218060      -1.76958842
Li       3.12302005       7.80288001       5.92006002      -0.18303096       0.70296979       1.22816181
Li       1.06449002       5.78327998       4.43836996       0.77933401       1.13201771       0.70581521
Li       9.00655999       4.62113999       6.09310999      -1.43960054       0.02263785       0.61303597
Li       3.42801997       5.34974999       9.19876001       0.63048310      -0.69997589       0.30000736
Li       3.50218005       7.06183000       2.05169998       0.25637813       0.77204271      -1.24150320
Li       5.86020998       6.89592000       6.54032003       0.05998537       0.17956346       0.87583826
Li      10.27830004       1.30120002       4.71497998       1.26205997      -0.49552731       0.50838312
Li       7.79875999       7.95609004       1.78174000       1.53637237      -0.71515121       1.16627981
Li       1.27254001      10.53139998       6.60882999       0.38596507       0.21128889      -0.49193371
Li      10.93652971       7.45377998       0.86127403       2.01590557       0.48270506       0.44582185
Li       0.61506301      10.43120003       9.77198995      -0.66615721       0.04106426      -0.03889611
Li       0.45835805       6.08123997       8.63744001      -0.11206568       0.91599897      -0.98810642
Li       5.38430001      10.85029998       0.66317497      -0.31874869       0.12047986       0.72661501
Li       3.08577997       4.05775000       2.31225997       0.61003505      -0.68003961       0.10138881
Li      10.63980005      11.12492946       1.43350996      -0.06071667       0.06170522       0.44311601
Li       2.83815003       8.09280997      10.03300005      -0.49574836       0.81984058      -0.06158497
Li       6.00988003       6.18853004      10.90349998      -0.44856771       0.82089893       1.47315217
Li       2.64370002       1.99419004       9.68763003      -0.36385758       0.93968735      -0.03783982
Li       7.75149997      10.71679997       6.55068001      -0.22174848       0.07359088       0.48406002
Li       9.02066003       4.45283000       9.65449001       0.44170229       1.58517551       0.42739190
Li       4.87899999      10.23379999       8.60536002       0.20017255       0.19490683      -0.45990367
Li       9.19357004       8.07493998       4.93924996       0.24484535       1.04316083       0.64636806
Cl       4.01030005      10.18560004       5.92336000      -0.21407486       0.44523150      -0.03047172
Cl       5.45589995       0.59389504       3.43954002       1.89009709       0.55018554      -0.43143576
Cl       3.46088999       2.76576998       4.50481997      -0.85009939       1.16238981      -0.34048649
Cl       8.97782002       6.49078001       3.70419995      -0.55712267      -0.44690655      -0.89391055
Cl       3.20013004       6.92717003       4.01601998       0.62489175      -0.64739289       1.11003817
Cl       3.54555002       6.41040003      11.11559995       0.11754122      -0.25177226       0.48587276
Cl       2.45208003       5.50647000       7.38225999      -0.36589296       0.03253323      -1.39576307
Cl       8.73877996       2.25210000       3.99693004      -3.94079759       2.06018583       1.74530753
Cl       4.48751998       3.17315002       9.24437005      -0.01471449       0.08615717      -0.32627465
Cl       9.55363998       0.11253826       8.16523998       0.41657642      -0.55096234      -0.89974933
Cl       0.76153300       0.06360749       4.22986005       0.99917447      -0.48622664      -0.31085064
Cl       4.00291005       8.29409002       8.19764005       0.03147818      -0.98681246       0.28575086
Cl       0.12616801       1.67175999      10.34009996      -0.49643105      -0.98798093       0.07346442
Cl      10.94541569       8.28892001       9.31436004       1.56460195       0.76050118       0.13794656
Cl       0.99120496       8.55058999       5.73115005      -0.98129322      -1.18853116       0.11727156
Cl       3.91141998       2.11886999       1.02403004      -1.41374794       0.28601678       0.48899244
Cl       7.39029995       9.33906999       9.07101004      -1.33650098       1.26875877      -1.29815763
Cl       6.55021005       4.84002003       6.00808003       0.23736819       0.15819156       0.48512251
Cl       0.83156704       9.13505995       1.25359995       0.51051482       1.01109698       0.31666343
Cl       8.88241000      10.15490005       2.83281998       0.14792434      -0.34393496      -0.06821256
Cl       6.50127996       5.68014997       9.06900998       0.32317349       0.02314006      -1.10824982
Cl       6.60644004       1.62644002       6.89128998      -0.97858073      -2.31889678      -1.11945148
Cl       1.24355000       5.17151005       2.50225997      -0.76739507      -0.18905623      -1.89505878
Cl       2.65128998      11.13999998      10.19400000       1.31343023      -1.97371380      -0.31033562
Cl       9.49405001       6.08330004       7.80550004      -0.34459846      -0.18128027      -0.37605965
Cl       3.83745004       9.72229001       2.37906005      -1.01015565      -1.07563828      -0.77912965
Cl       0.74861800       4.57213005       9.97247997       0.13755699      -0.39577868       0.84273832
Cl       6.88275999       8.45678000       5.28749996       0.56645448       0.10996309       0.40983204
Cl       6.97286995       1.57811004       0.19544001       1.24667164      -1.30091325       1.30824927
Cl       9.43076995       6.53044004       0.30157001      -3.38181190      -2.20128003      -0.55086136
Cl      10.88689769       4.60671999       5.40321999       0.99232639      -1.51531010       0.06633805
Cl       8.34243997       2.95092004       8.48995003       2.04389068      -0.24581680       0.71644221
Cl       1.11766002       1.61161998       7.07842003       2.23280054      -1.44931633      -0.46843931
Cl       6.61463000       8.97317996       0.61127600      -1.59471115       0.12692445      -0.10742424
Cl       5.95076994       4.86189004       1.69622001       0.10718972       0.14620632       0.51285331
Cl      10.72829995       2.14988002       2.39924003       2.07733437       0.49214174      -2.30379414
72
Lattice="11.12810345 0.0 0.0 0.0 11.12810345 0.0 0.0 0.0 11.12810345" Properties=species:S:1:pos:R:3:forces:R:3 energy=-263.66731785 stress="-0.012269731591879187 -0.00074453629800463 -0.002065151898389254 -0.00074453629800463 -0.010538054575761789 0.0007810407752518368 -0.002065151898389254 0.0007810407752518368 -0.009467225381447784" free_energy=-263.66731785 pbc="T T T" config_type=melt 
Li       9.11964002       6.20377000       2.50333998      -0.07857092      -2.34798829       0.21193177
Li       7.93868996       2.87324003       7.72920998       0.10887017      -0.04127027      -0.19692328
Li       3.61668003       8.74513004       7.75648997       0.83015991       0.06098039       0.84488080
Li      10.89620001       2.70525998       3.68558001      -0.39486883       0.14375089       0.50512345
Li       6.21224005       2.78541003       0.80251698       0.67400275       0.06523095      -0.47071970
Li       0.26021701       2.76514998       8.02294005      -0.31003699      -0.00108410       0.30088038
Li       7.32715004       8.41131999      10.81699996      -0.55403464       0.20798628       0.69161019
Li       9.35403004       0.01299484       9.76782000      -0.41679071       0.06350014      -0.88025064
Li       8.55318995      10.66529998       2.19390003       0.05623946      -0.05926057      -0.23092845
Li       5.99866003       5.49752002       6.57247000      -0.53268272      -0.12894842       0.17408994
Li       5.77296006       0.12774595       6.25674000       0.80713957      -0.19551239       0.20169827
Li       7.00715998       8.46230006       4.21540003       0.26450823      -0.35151455      -0.43380828
Li       2.67273999       3.35321995       0.85302499       0.82616060       0.46732257      -0.50072640
Li       7.49386005       2.54267004       3.82377002       0.30013979       0.26471184       0.39634409
Li       1.85997002      10.69039998       9.56380002      -0.52951984      -0.05383069      -0.06652948
Li       9.49277000       0.01242998       5.44448003      -0.23174588       0.13947015       0.86179413
Li       1.74522002       0.29429304       2.03540001      -0.66733621      -0.08759071       0.32049986
Li       0.00429656       7.68627998       7.88084997      -0.94462221      -0.02035371      -0.89427990
Li       5.36927998       5.16582998       2.91362003       0.24990344       0.99506276       0.04893760
Li       7.49541999       8.87443004       7.45568999       0.74409187      -1.47962848       0.00443051
Li       4.96463999       0.52712702       2.74182002       0.17567731      -0.09637009      -0.03767635
Li      10.41729996       2.40951004       0.67635600      -0.03695153       0.06072316      -0.42185115
Li       1.92060004       0.83020804       6.48125995      -0.50211432      -1.90766182      -0.57196757
Li       1.41253001       5.44461001       9.96743002       0.16675543      -0.00850575       0.16899495
Li       1.38380003       5.92358005       2.35390001      -0.85512818       0.13907465       0.31735603
Li       4.06451998       2.52770997       8.29122995       1.19587674       0.05194174       1.29147315
Li       3.59769003       8.72403004       4.25325996      -0.10771922      -0.14114379       0.29239210
Li       2.16757005       5.22402996       6.21939998      -0.28453630       0.31407648       0.74703636
Li      10.68650002       8.60723003       0.11023499       0.01644130      -0.37489097       0.08057986
Li       8.75371003       5.45781005      10.11059997       1.04858767      -0.22989767       0.97077726
Li       5.16858998      10.96509999      10.19979995       0.04199325       0.41588643       0.06749185
Li       3.50878995       8.32993004       1.19830000       0.09621123      -2.25496021      -0.17885550
Li       8.91228996       5.62808005       6.33660996       0.28098779      -0.00883064      -0.60451528
Li       5.07283999       6.24603999      10.12940001       0.10889014      -0.06403635       0.05640328
Li       0.11004704       8.68682000       4.50645002      -0.17973368      -0.03564762       0.55387948
Li       4.27369995       2.81404998       4.96351995      -1.09995416       0.00709761      -0.50048459
Cl       2.34033997       8.05267001       6.31904002      -1.01110392      -0.68464781      -1.62516137
Cl       2.55711999       2.68617995       6.98006005      -1.78870426       1.90050557      -0.78341353
Cl      10.06800003       5.04476000       8.02343002       2.25906180      -0.08455957       0.84247304
Cl      10.33879998       4.92305004       3.72505996       1.87818741       1.51187856      -1.06290279
Cl       4.38235998       2.30507001      10.72840000       0.21811166      -0.26053982      -0.64019630
Cl       6.04401005       2.74291002       5.95574005       1.35081215       0.38354429       1.75179162
Cl      10.98859999       5.89030001       0.50162998      -1.06701216       0.23241584      -0.55039025
Cl       1.31739997       8.45484000       9.29231002       0.60696154       0.02940048       1.47319253
Cl       7.25352006       5.44908996       8.72553000      -2.03112021       0.23944896      -0.99084840
Cl       4.96256004       8.78831999       9.79331003       0.51932463      -1.34686768       0.30164968
Cl       9.29752999       1.70980995       2.50835998       0.13276314       1.08287821      -0.84069403
Cl       3.54623001      11.01994440       8.10099001      -0.03454665       0.45316917       0.43718652
Cl      10.52730004      10.96499995       0.45098698       1.07487337      -0.46047979       0.23975934
Cl       1.23747003       3.02091998      10.38620003      -0.94021943      -0.28119934      -1.11233590
Cl       5.15927998       3.00336996       2.77706996       0.14266904      -0.90556496      -0.01748304
Cl       8.50495997       2.20242004       9.93543004       0.12527010       0.27643142       0.02323909
Cl       2.87064997       5.81096999       0.75095803       1.39584047      -0.03159777      -0.14737991
Cl       4.09570003       0.48246404       5.07869003      -1.31100145      -0.60198614      -1.79441476
Cl       7.63613997       0.28633801       4.25719997      -1.21626975      -1.45560296       0.64699452
Cl       1.62277994       2.59559997       2.49167996       0.07247095      -0.57264306       0.71863216
Cl      10.73910001      11.04030004       7.80093005       0.61112958       0.98066595       0.22095792
Cl       7.25295998       4.96175003       1.00063005       0.06403155      -0.05284772      -0.04503294
Cl       5.54910001       7.53844001       2.29510001      -0.70830732       0.39681809       0.42611055
Cl       9.53622002       8.01583999       5.90496997       0.61966457       0.55858875       0.45045272
Cl       8.91191995       8.04199003       2.01083004      -0.46696489       3.21205135      -0.63994706
Cl       3.80773999       5.04316000       4.97542001       0.53596762       0.53383931      -1.00583209
Cl       6.50578005      10.90729996       0.98719197       0.74086012       0.19554067       0.01310269
Cl       5.83802997       8.68257997       6.07280002      -1.41272316       0.00593477      -0.25523309
Cl       7.27592004      10.81500002       7.78987005       0.06495402       2.33861156       0.87225036
Cl       3.81942995       5.49107997       8.46019996      -0.49382587      -0.22625608      -0.25845822
Cl       1.29598004       8.49089995       2.73498002       0.75811532      -0.76555607      -0.44330545
Cl       7.36504001       6.21509997       4.96996001      -0.91465235      -0.82521062      -1.03002033
Cl       9.28262000       3.27818003       5.49171004      -0.79316131      -1.91392608       1.89550607
Cl       8.95493997       8.61568004       9.41391003       0.29025334      -0.44172083       0.22617587
Cl       0.34001297      10.96189999       4.64693998       0.81729957       0.56849256      -0.47206000
Cl       3.50527002      10.28209996       1.30711004      -0.35529956       2.50310185       0.05654602
72
Lattice="11.11303126 0.0 0.0 0.0 11.11303126 0.0 0.0 0.0 11.11303126" Properties=species:S:1:pos:R:3:forces:R:3 energy=-259.34839286 stress="-0.022976877069656964 0.0025508944562923934 0.002003726673028732 0.0025508944562923934 -0.014651977900088455 -0.0004535154243089552 0.002003726673028732 -0.0004535154243089552 -0.025245992092808853" free_energy=-259.34839286 pbc="T T T" config_type=melt 
Li       9.05540996       5.90604002       2.16015002      -0.10195871      -1.04715831      -0.57174434
Li       7.41300996       3.40793995       7.98441002      -0.06138406      -0.27191582      -0.16575054
Li       2.97620002       7.93330997       7.89317003       2.31354728      -1.34899413       4.16384823
Li      10.41800006       2.80876998       3.84652995       0.42020688       0.40278825      -0.10803975
Li       7.51272996       3.14411003       0.47249197      -0.73896782      -0.08193001      -0.27892856
Li      10.65000003       2.39984999       7.21900999      -2.83235835      -1.19188661       1.77126908
Li       7.90612005       8.43344005       0.24730395      -1.12548272      -0.46448274       0.81732877
Li       9.22273998       0.11208703      10.18979996       0.54539345      -0.45085030       0.27517593
Li       8.70019003       0.70466898       2.55871999       1.64584095       1.11795913      -1.24705669
Li       4.87086005       5.62613999       6.38475996       0.68200123       0.23501155      -0.96366902
Li       4.92736003      10.48470003       6.23611005       0.20152931       0.16580481       0.46007057
Li       7.03726003       8.72773001       4.51513003       0.29459846      -0.22146781      -0.36608283
Li       3.68861000       2.74878006       0.57004505      -0.25495462       0.12326286       0.43920557
Li       6.74691998       2.61405000       4.37053004       0.37781308      -0.29270205       0.25593743
Li       1.45464000       0.52778397       9.22511995       0.66481932       0.19931129       0.57230783
Li       8.75801002       0.16956874       6.78025996      -0.29107635       0.02112475       0.13357576
Li       1.54877005      11.05950001       1.92702996       2.06646551      -0.29452014       2.02184763
Li      10.81410005       8.26345001       7.61504998       0.79274520       0.05993703       0.98100729
Li       5.67445001       5.35332997       2.97882002       0.09943328       0.10539581      -0.01372739
Li       7.28860002       7.79338001       8.15285001       0.14062636       0.69365044       0.35718023
Li       5.34842001      10.93920000       2.48656997      -0.27720516      -0.03791740      -0.08031067
Li       0.33871397       2.93152996       0.85623705      -0.33035135      -0.04505068      -0.14595860
Li       1.74159003      10.97959998       6.00607997      -0.10362051       0.05518511      -0.17500570
Li       1.74543003       5.39800002      10.21629999       0.23196122       0.92441789       0.08380855
Li       2.66923998       5.87925995       2.59541000      -0.61449057       0.12999089       0.09473776
Li       3.24028998       2.90575996       8.13939002      -0.09281463       0.50248419       0.29480333
Li       3.33921996       8.05858006       4.13194004       0.03510296       2.92229495      -0.76695472
Li       1.33352997       5.25533003       6.46421002       0.70935594      -0.23078849      -1.16199489
Li       0.12491403       8.09194004       0.17281197      -0.15753480       0.01232344       0.31651451
Li       9.91484001       5.11301000       9.33439005      -0.88537318      -0.14881535       0.33037889
Li       5.82339997       0.94015100       9.45286997      -0.67565637      -0.30603296      -0.23173520
Li       4.37215999       9.21266002       0.08536875      -0.11124107      -0.19726032      -0.51808936
Li       9.16177000       6.26462998       5.57762005      -0.31101079      -0.81143396      -0.51790500
Li       5.31585005       5.56642001       9.96843005       0.10231550      -0.24293824       0.88738298
Li      10.70090005       8.78588006       3.80423998       0.02013445      -0.10547168      -0.14178524
Li       3.22849005       2.62179000       4.30878004      -0.32541930      -0.14513037      -0.06425946
Cl       0.14898196       5.92301996       7.98135005       0.48589212       0.90608582       0.13109601
Cl       4.11851006       5.96660004       8.32846002      -1.06351774      -0.40573952      -0.47501372
Cl       1.56204001       3.28659998       9.97837999       0.53012663      -1.46726795      -0.32277945
Cl       8.77653000       1.81708996       8.97609003      -0.09838879       3.22792770       0.24595047
Cl       4.91332005       2.96978002       9.88303996       0.99985573       0.79139072      -0.91033078
Cl       4.95275998       3.63101005       5.19598000       0.16156955       0.12319562       1.20193635
Cl       1.62261003       2.79125995       2.68022999       1.03194850       0.96703738      -0.33070087
Cl      10.80859999       5.16878997       0.22609996      -0.33881041       1.08343602       0.48731230
Cl       6.86652998       6.56167997       4.89908004       0.73556642      -3.59570980      -3.19345715
Cl       5.69503001       8.77620005       9.14735996      -0.84796738       0.63074463       2.50328422
Cl       8.17683004       5.99244995       7.66619004      -0.03601952      -2.32991159       0.82663377
Cl       3.67131001       0.40906879       4.47415995       0.26851396      -0.72656211      -0.78150604
Cl       9.00774006       3.27761999       2.00263002       0.52847260      -1.13820775       0.15942330
Cl       0.21531198       0.19962005       0.61906874      -2.29316181       0.37578201      -3.03161116
Cl       5.92076001       3.04549999       2.37163000      -0.40644378      -0.48699764      -0.77022079
Cl      10.76440002       0.20136879       8.07608997       1.15531303      -1.63040483      -1.02362817
Cl       4.02099998       5.44294001       0.93948099      -0.78539224      -0.29953839       0.10386477
Cl       9.56757001       8.30627997       5.97928001      -0.07577616       1.60181062      -1.01974565
Cl       0.01926877       0.56876872       3.62602996      -0.49702921      -1.59563050       0.92573668
Cl       1.17267995       3.00796995       6.66631005       3.45829183       1.78348717      -1.73148721
Cl       2.00691998       7.88152002      10.15550004       0.22050413       0.24960494      -0.21459472
Cl       9.34272005       8.85616998       9.97027003       0.96828031      -0.17817186      -0.98854721
Cl       4.52625995       8.62129995       2.25747005       1.51925365       0.54520273       0.06925489
Cl       7.43858004      10.79569999       3.64292999      -1.55852644      -0.53117067       1.14260617
Cl      10.42670001       5.35422001       3.73435001       0.74944786       0.02564475       1.49567290
Cl       3.30022000       6.31446003       4.83091004      -0.18716347      -3.49824529       0.63392556
Cl       7.17531000       0.43591599      10.98976229       0.15010284      -0.59683889       2.04139111
Cl       6.50587000       0.85812805       7.35576996      -0.24015132      -0.22550928      -1.13019180
Cl       3.17693003       0.87649100       7.46099003       0.05177343      -1.19408120       0.87656094
Cl       6.10084001       8.32198001       6.44535999      -1.95196838       3.31347530       0.29444850
Cl       1.65983001       8.13151999       2.66465996      -1.71888777       0.26350584      -0.22513471
Cl       6.97805003       5.79941004       0.21796877       1.37357135       0.03391584       0.14705788
Cl       2.14782000       8.53053005       6.42476998      -2.60050513       2.51855614      -3.41427847
Cl       8.84456997       7.95494004       2.40014004       0.05650051       1.43412817      -0.26854469
Cl       9.27308001       2.08982998       5.66499004      -1.44677523       0.56543868      -0.71377318
Cl       3.72521999       0.34999003       0.07840877      -0.35148971      -0.27457782       0.52200761
72
Lattice="11.07746911 0.0 0.0 0.0 11.07746911 0.0 0.0 0.0 11.07746911" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.15278548 stress="-0.04693010542898568 -0.003360111332364787 0.008583972042441127 -0.003360111332364787 -0.036099758253319285 -0.008476516904371496 0.008583972042441127 -0.008476516904371496 -0.03778847922507396" free_energy=-251.15278548 pbc="T T T" config_type=melt 
Li       6.93849995       7.54164000       5.19248001      -2.68449527      -1.08100361      -0.03477408
Li      10.34369999       8.26494002       6.44998001       0.37407849       0.01741683       0.09806211
Li       1.15450003       6.16805998       8.09160998       0.72018663      -0.96765586      -1.20834321
Li      10.03490003      10.00769997       0.99850302      -0.38351407      -0.68412673      -0.43207928
Li       1.79572997       1.54626005       7.82554003       0.34339212       0.01896536      -1.00070011
Li       8.48185005       5.63338001       7.79357998       0.22029109       0.26910129       1.35613439
Li       1.35673995       1.06146004       0.95732695       0.81229474       0.35340495      -0.05036853
Li      10.53489999       9.02769002       9.31283005       1.18428500       1.37414246       0.55462873
Li       4.48644998       2.07555005       1.49831997       1.29215329       0.16260910      -0.98644917
Li       3.60955000       7.70726002      10.28500004      -0.40498371       1.32624396      -0.70433337
Li       9.30121001       1.27030002       7.77923997      -0.91215893      -1.30411510      -0.07143242
Li       3.45511003       9.01526996       2.63976997       0.37153755       0.45117659       0.34454836
Li       8.75394006       2.47406998       1.92358999       0.14232024      -0.28029494       0.14289509
Li       4.21962001       5.16488005       2.55327000      -0.20549430      -0.31090016      -0.03577039
Li       0.40683501      10.84880002       4.32319999      -1.24398578       1.31970288       0.39720902
Li       6.88656999       3.57175999       4.60691004      -0.03196181       0.20320433      -0.43453575
Li       4.12463004       8.86448998       5.92059995       0.12496739      -0.02601427      -0.42409393
Li       3.42826998       1.14327003       4.44533995      -0.09881229       0.06069829      -0.22352494
Li       5.16182998       2.68623996       7.05109001       0.51835771      -0.01969876       1.02325957
Li       2.84515999       4.20770996      10.29800001      -0.48549209      -1.30801639      -0.58128882
Li       7.39584999       8.31361996       9.65923004      -0.05372801      -0.42559583      -1.06131146
Li       6.79491003      11.04413745       2.77184996      -0.30551733      -0.23510781       0.30550168
Li       7.40287997      10.78130001       6.27169003      -0.16836357      -0.78166525      -1.57659350
Li       9.21012995       5.87602997       4.04514998      -0.53378746       0.54380579       0.45148929
Li       4.74218997       6.00417004       6.73935995      -0.71761095      -0.75288756       0.06611151
Li      10.59099995       2.94284997      10.02110005      -0.06210723       0.27145048       0.11569445
Li      10.33060000       3.58613001       5.89815999       0.09172368       0.09650774       0.01959732
Li       6.72257005       1.44633995      10.32390001       0.35079226      -0.23755238      -0.99373568
Li       3.76673995      10.62540003       9.37211999      -0.06795710       0.39158096       0.17396009
Li       0.78208405       3.78456005       2.81179997       1.80498148      -0.05142930      -0.23750269
Li       9.75850001       5.95648995      10.87813216       0.53443720      -0.67029311      -0.09695250
Li       6.50998002       4.76844003      10.73670002      -2.96703042      -3.34943654       0.11468892
Li       6.24137997       7.51717995       1.74395997       2.09615979       0.45554107      -1.67352554
Li       1.33590999       6.77604997       1.11836001       0.86117585      -0.78812470      -0.23862093
Li       1.39990995       7.49174996       4.37051995      -0.10213833      -0.47451537       0.29289811
Li       2.50285002       4.40189001       5.83029000      -0.29719473      -0.02487968      -2.59805481
Cl       3.41927995       0.49479897       2.25087005      -0.18580782      -2.35885720       1.05958697
Cl       7.70390997       6.13096995      10.60440003       1.58505709       2.76785515      -0.66203049
Cl       7.48533998       9.34921998       0.37782899       0.06343226       0.47037369       0.40823996
Cl       4.23468005       9.40093005       0.70585401      -0.03129459      -0.83849964      -2.46539790
Cl       8.66223002       8.29702004       5.11324996       2.53576054       1.12022225      -1.03011961
Cl       0.22743085       5.77208000       6.14186996      -1.74267989      -0.07088658      -0.85074656
Cl       3.59597002       8.90930001       7.99044998      -1.03578015       0.79649681       1.60790595
Cl       9.51377003       7.68870005       8.34416996      -2.97790115      -1.77434008      -0.72178090
Cl       7.24880002       0.39932205       8.12043001      -0.62401181      -0.84599884       1.50258501
Cl       0.67317902       4.71488003      10.97660000      -0.57045250      -1.03731193       0.42115083
Cl       4.83397999       4.11301997       5.46940001      -0.06885041       0.25224476      -1.09249523
Cl       8.97809995      11.00484245       2.49732003       0.27533380       0.38878907       2.03953086
Cl       0.84754702       7.31210000       9.66239997       5.64084180       0.39953268      -4.46117457
Cl       6.88551996       1.34999997       4.75962004       0.34734580       0.41287506      -0.24896663
Cl       2.61038001       4.44305998       7.72277003       0.38766846      -0.66271070       3.65402691
Cl       1.27034001       2.19187998       4.81364995      -0.48269706      -0.10588965       0.03953666
Cl       8.39785005       3.03039997       8.58504997      -2.07322554       2.26054663       1.68130411
Cl       7.41366998       5.11777001       2.72889995      -1.42974252       1.10085414       0.02865355
Cl       2.06697997       1.51393001       9.90430000       0.65077977      -0.78299420       0.94488216
Cl       1.99419003       5.89812997       2.99073000      -0.78504662      -0.19676849      -0.36774848
Cl      10.31519999       1.20273001       0.27591295      -0.15188480       0.04900914      -0.21867805
Cl       3.94072002       1.06191001       6.54884997      -0.72731530      -1.01302721       0.50595146
Cl      10.87430002       2.45628000       7.98399004       3.20280417       0.87769301      -1.77846677
Cl       2.87336998       6.74551005       5.78422999       1.16981246       1.09190980       0.03857550
Cl       7.92564003       4.90766997       6.01109999       0.28370559      -0.19741069      -1.22325015
Cl       6.00867004       7.53523003       7.26504003       1.59911854       0.22832621       0.22937407
Cl       1.97473999       9.59390001       4.22324001       0.18622675      -0.63428603       0.21505839
Cl       2.77451996       2.98517000       2.04358003      -1.00013029       3.38773841      -0.38422792
Cl       6.67726996       2.74892004       0.96546003       0.33822682      -0.50822094       1.11531879
Cl       9.93894002       4.05188995       3.21895999      -0.10345647      -1.09995885       0.29031907
Cl      10.74179997       7.67140004       0.41723498      -4.73454038       3.73827204       6.81774049
Cl       4.75850000       7.24309999       2.91292995      -1.47827936      -1.91679642       1.26635170
Cl       5.48371000       9.61303999       4.08413004       0.52951952       0.89422538       1.02457569
Cl       4.99733001       2.65205998       9.60355003      -0.31225318       0.19797215      -0.60637373
Cl       4.11920995       5.77633995      10.67549999       1.23521572      -0.17482789       0.83787702
Cl      10.65430004      10.38270000       7.30063006       0.36769963       0.24161024      -0.40977568
64
Lattice="16.483 0.0 0.0 0.0 16.483 0.0 0.0 0.0 16.483" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.44561042 stress="-0.0041680618998581765 0.003311520322491527 -0.00043868247787129367 0.003311520322491527 -0.004925832206975617 -0.0009801086719240187 -0.00043868247787129367 -0.0009801086719240187 -0.002892285694248972" free_energy=-214.44561042 pbc="T T T" config_type=density 
Li      10.31893491      15.83774000      13.28477054       0.18982101      -0.26700657       0.16452270
Li      13.21943193      15.02097438      16.16936148       0.48567165       0.04878095       0.37957730
Li       9.66571361       7.36725816       6.43450168      -0.20226864      -0.29162350       0.43061567
Li      14.58335073       1.58064223       2.86891560       0.92858485      -0.37416942      -0.02658192
Li       8.86813421       1.03341817       9.81435731       0.27404644      -0.70049316       1.20452112
Li      13.71082313       8.48231663       6.92991472      -0.07410077       0.01871289       0.02184532
Li       8.24446694       3.83361614       7.26674483       0.34825887       1.77884360      -0.60678223
Li      10.62668900       2.64753243       2.83830667       0.69091140      -0.07738705       0.04144930
Li       7.50901196       4.86151250       2.59328687      -0.23425722       0.51286180       0.36537491
Li      15.20708394       0.12089489      11.29851960       0.98105383      -0.97205839      -1.30351453
Li      14.00369307       2.72205207      13.63180363      -0.09513640       0.77866725       0.49373996
Li       6.15176878      13.71217473      11.89774258       0.32155794      -0.05898203      -0.03525180
Li       0.04193687      14.51336391       8.25138980      -0.33505571       0.51313073       0.37339456
Li      12.44324746       5.84533332      15.21880335      -1.41024139       1.59291850       0.57129744
Li       3.52851581      11.43076270       6.88582270       0.01240976      -0.29254898       0.23379975
Li       9.34538299       7.48148535      10.37174644       0.29808167       0.31863799      -0.23895870
Li       9.84071363       8.91753376      16.37396495       0.56486650      -0.40937804      -0.84154170
Li       0.87730273      12.36287635       4.83154641       0.08607389      -0.43622207       0.17386857
Li       2.11999401       0.73353800       2.28497236      -0.13814643       0.01121713      -0.05753481
Li       3.99709453       7.16293490       2.76362220       0.54385164      -0.24321590       0.14001403
Li      11.41601042      11.55283580       5.94462692      -0.23666763       0.20006272      -0.08791054
Li       8.50748617      10.76257485      11.15663393       0.70427927      -1.07707700      -0.58010268
Li       3.50113755       6.07237017       8.04047333      -0.32360718      -0.56974264      -0.05110107
Li       6.35717992       8.49146469       8.94393953       0.10997368       0.58283539      -0.05574329
Li       8.43667520      13.92300879       4.22836751       0.45095846      -0.25430913       0.13321150
Li       1.85267272       2.73246933       8.49317893      -0.02306015      -0.77651951      -0.11337753
Li       3.49340702       0.24296436      11.15511749      -0.07351843       0.12835923       0.02326996
Li      15.37972688      13.13291267       1.64568250      -0.49846424       0.79703651      -0.46066025
Li       5.40475922      14.87088019       2.44596182      -0.63796647       0.55800099      -0.14975845
Li       1.04815232       9.80403895       1.89636915      -0.79433003       0.60892714      -0.01334051
Li       0.22241336       5.71815050       7.19809313      -0.83262425       0.61789293      -0.68367945
Li       7.74257607      11.71552301       1.64440836       0.16384680      -0.39143092      -0.24633823
Cl      12.66540534       2.10720320       2.61708833      -0.69608492       0.16082216      -0.17485395
Cl      10.53534021       9.90928291      11.81189911      -0.15768789      -0.57344572      -0.13334787
Cl       0.23400256       1.26847729       3.09710625      -0.03127527       0.11734624       0.24667402
Cl      14.20809875       1.03823120      12.65472435      -0.95761886      -0.36767656       0.64115339
Cl      10.91573489       7.38006545      15.35993080       0.10533029      -0.22726226       0.00330761
Cl      14.93521333      15.11693841       0.91620261       0.29279910       0.02480295       0.29438131
Cl      11.80219063       9.52796518       6.51632329      -0.02717207      -0.46305985       0.03955566
Cl       0.01499953      15.42311013      10.09567267      -0.10485689       0.14938215       0.50638513
Cl      15.12196572       6.85823016       6.60467217      -0.51588796       0.34125790      -0.23393401
Cl      13.64515486       4.46814571      14.65249692       1.29545722      -0.94399947      -0.23116507
Cl       8.68784316       5.48635007       5.73593565      -0.16541159      -0.50193854      -1.93333416
Cl       8.92198417      16.35636111      11.76675218      -0.15636011       0.31485763      -0.45207057
Cl       2.61009953       8.65594855       2.25648973       0.71735322      -0.62473119      -0.13058239
Cl       1.59059631       4.71415448       8.19925407       1.18254319       0.45058017       0.57492012
Cl       2.52361323       1.16516349       9.58221074       0.02105289       0.01116909      -0.26166323
Cl       4.59964708       7.72721392       8.34689230      -0.88247135      -0.14868605      -0.26562754
Cl      16.44458901      11.62452037       2.46457113       0.37720650      -0.41341433       0.65571582
Cl       4.14786454       0.12972121       2.14776787       0.35660636      -0.20261420       0.01165006
Cl       0.77634600      13.21625071       6.95307334       0.38656486      -0.68320627      -1.16492564
Cl       5.23923693      11.36057809       8.33733216      -0.21158450       0.07184496      -0.27711286
Cl       8.12000381      12.46215346      12.20023859      -1.01447748       1.40603775       0.56420120
Cl       2.08574234      10.52985137       5.28939470       0.23919094       0.19637562       0.00074171
Cl       5.93074823       6.24474938       3.26257909      -0.30546083       0.02513305      -0.17606826
Cl       8.68832116       3.15171443       2.88808533      -0.77019763      -0.38873185      -0.13325128
Cl       8.23851658       2.05646853       8.20899552      -0.38784284      -0.62638355      -0.36678693
Cl       9.04740332       6.22857956       8.37217722       0.51442899      -0.03467436       1.91901184
Cl       8.70963368       9.88838246       1.23538437      -0.58571813       0.41369480       0.81300544
Cl       7.02500515      13.53755383       2.49237795       0.29072000       0.13446226       0.35766815
Cl      10.45526580      12.97347261       4.56246143      -0.28891364       0.22019166      -0.04185907
Cl       8.24822506       9.10779703       9.35344318       0.52915816       1.01564724       0.35931204
Cl       4.43967957      15.25826365      12.17234936       0.68448431      -0.86377268       0.52351099
Cl      11.70296297      15.17513988      14.89130262      -0.97867677       0.13526981      -0.73293608
64
Lattice="11.4646 0.0 0.0 0.0 11.4646 0.0 0.0 0.0 11.4646" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.88638839 stress="-0.029717260732606495 -0.005926902319457438 0.003947435462416155 -0.005926902319457438 -0.026044907844906685 0.002722849462016067 0.003947435462416155 0.002722849462016067 -0.02995165374841051" free_energy=-216.88638839 pbc="T T T" config_type=density 
Li      11.37169088      10.17189756       8.26907204      -0.61004061      -0.51987407      -0.11649311
Li       2.67051807       5.84856251      10.64094874      -0.26402840      -0.16528392      -0.01549102
Li       6.27027636       5.63577953       1.70106003      -0.62375649       0.30934103      -0.12048332
Li      10.12491563       2.17762052       8.67909200       0.34641429      -0.56920632      -0.45617536
Li       7.46547237       2.64292277       3.71165279      -1.74368869       0.95751847      -2.17232147
Li       5.33483378       1.34820257       0.32773737      -1.77647694      -1.31096346       0.85129337
Li       5.74570212       4.59109079       6.39372717      -1.16800204      -0.87870164      -2.19464789
Li       8.57497050       2.94496913      11.25315838       1.44151008       0.24339108       1.05760111
Li       8.42030158       0.21691252       5.53517767       0.09596115      -0.35436870       0.11007280
Li      11.09294060       7.13752749       8.28543203      -0.51447154      -0.57693977       1.66131239
Li       6.01080953       9.58677877       2.31359067       0.08241045       1.05395780       0.50591950
Li      10.36132715       3.87888691       5.93088980      -0.35111598       0.08016730      -0.50225720
Li       4.91880638      10.08270297       6.16310527      -0.12889738      -0.50982569       0.14394329
Li       5.40194755       7.85734386       9.80071967      -0.11885310       0.32661927      -0.29346617
Li       9.69977387       5.09216259       1.76647703      -0.80947524      -1.02415891      -0.92697663
Li       5.88120222       4.41467352       9.96495007      -0.28984041      -0.19936459       0.35896456
Li       9.17212712      11.23011454       0.85538527      -0.09718906       1.00721614       0.48644885
Li       3.13690946       9.72940986      11.13703345      -0.03016450      -0.67768171      -0.12577237
Li       0.68929073       9.96437684       4.11621559      -0.02507933       0.61852438      -0.17596965
Li       2.86562263       0.26655310       2.89496054      -0.04161097      -0.09856089       0.25053323
Li       7.90698558       6.72518022       7.97227648       1.10755370       1.50675225       0.06769382
Li       1.27638831       0.78479200       6.20375875       0.11055060      -0.98257090       0.48487383
Li       8.02501364      10.86990827       9.23913771      -0.05541209      -0.50438225      -0.42587383
Li       2.79143520       4.24427517       4.52380505       0.38440095      -0.69938790       0.29216415
Li       2.15435884       7.38663032       6.17405397       0.26972801       0.60920597      -0.02895325
Li       1.11746144       0.63075936      11.04564912      -0.90219789       0.13243871       0.47289888
Li       8.41742397       8.89366345       5.04623541      -0.62145643      -0.32602480       0.33611221
Li       2.55275369       2.74648251       8.50800577      -0.08939529      -0.08764839      -0.45918041
Li       2.80690095       7.95095232       2.87803879      -0.21514017       0.39829245      -0.14747291
Li      11.03628254       6.63803779       4.75395689      -1.52573890      -2.28901467       2.19908378
Li      10.54594160       8.11612281       0.75438100       0.66212847       0.04343598      -0.21567012
Li      11.11374885       2.09698999       3.37005356       0.02488942      -0.29545672      -0.14928863
Cl      11.37001705       8.14533461       6.61819257       1.16500595       1.52771226      -0.52994167
Cl       9.78150500      10.26963328       4.38690626       0.72249629       0.66977890      -0.38429821
Cl       8.88607388       2.26905070       4.93975220       1.62931136      -0.07388524       1.59006732
Cl      11.12375744       6.08269257       0.81984157       0.15859457      -0.46053457      -0.71315185
Cl       9.51325629       8.78880822       9.08437707       0.12042030      -0.80162931       0.88979648
Cl       9.45327351       0.28059379       7.61170334      -1.31304990      -0.02298429      -2.58054857
Cl       7.77632353       4.10065813       1.71817667      -0.79351536       1.16740445      -0.99158633
Cl       9.63411611       5.75603172       6.95542378      -0.13287624      -0.71859704       0.52742972
Cl       9.88249666       5.21008747       3.68769177       0.29413215      -0.32494607       2.65917337
Cl       9.79501030       0.33797297      10.25184022      -1.82533485      -0.05252321       3.58074031
Cl       3.09236949       0.43234612       0.16038288       1.12797388       1.65464418      -1.17373682
Cl       6.51394496       9.28927240       7.99958515       0.48122197       0.13793509       0.25488804
Cl       0.72737728       0.23168925       2.41266775      -1.43980749      -0.63541413      -1.04621874
Cl       3.58706698       3.72771469       6.66504839       0.61446246       0.30822305      -0.08722393
Cl       1.94792726       1.74711332       4.50574830       1.52555498       0.90597221      -1.62825083
Cl       0.62428072       2.71782101       6.67268382      -1.68736386       1.92577555       1.52632359
Cl       0.48011910       0.76785764       8.93135905       3.86798592       0.35552721      -0.72120727
Cl       3.14663144       9.79709686       1.83103420      -0.58582103      -0.96210020       1.80458508
Cl       0.42201307       7.91028739       3.79403740      -0.14596513       3.87181401      -4.32293784
Cl       2.83095368       9.94439404       5.04693475      -0.26978749       0.84446567      -0.34565618
Cl       9.70938120       2.19095385       1.56777259       1.47199363      -0.98402209      -0.18523610
Cl       2.40333556       6.32451538       4.14385674       1.95978152      -2.41014997       0.93198569
Cl       1.40535360       7.71287844      10.79750932       0.74127069       1.23255723      -1.01789396
Cl       6.98856794       0.12958093       1.53919134      -0.12994351      -0.48453014       0.02841659
Cl       5.76020484       4.79549314       3.70305434      -0.69587226      -0.17900907       1.41369743
Cl       4.00889547       3.29337832      10.02817734      -1.31628655      -0.15698846      -0.00239892
Cl       6.73776835       2.35196269      10.96672682       0.45790404       0.86293798      -2.69756822
Cl       5.28712958       8.45766471       0.77748905       1.92792015       0.60832915      -0.74994536
Cl       6.61775692      10.37984248       4.40648780      -0.47025067      -0.39976946       0.98141122
Cl       4.71826759       6.14823569      11.17171386       0.42469622      -2.05398344      -0.68896225
Cl       3.57419223       8.58180340       7.53415679      -0.24366106      -0.76804953       1.13517915
Cl       6.38298484       5.42739896       8.02681358      -0.16470635       0.19859377       1.79064666
64
Lattice="11.4744 0.0 0.0 0.0 11.4744 0.0 0.0 0.0 11.4744" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.87509802 stress="-0.023461546581069675 -0.004635574314080018 0.009662903776657083 -0.004635574314080018 -0.025919543826113483 0.0034664379618938954 0.009662903776657083 0.0034664379618938954 -0.0209884549889445" free_energy=-217.87509802 pbc="T T T" config_type=density 
Li       5.99661324       9.47541035       3.02345850      -0.69216216       0.01451425      -0.36569599
Li       6.05150676       3.77897890       4.58172792       0.79544307       0.34447742       0.03878308
Li       5.40091976       4.86411290      10.24622612       0.58655492       0.07045106      -0.33836887
Li       9.88444976       7.01581534      11.17416085       0.29242551       0.04705141       0.57946866
Li       6.70575410       6.04823656       1.52529199      -0.17153287      -0.18779892      -0.08860197
Li       4.62616827       9.39889905       6.86337794       0.17948668      -0.05427950      -0.01735974
Li       9.21209582       4.53822847       2.62950793      -0.44969533       0.67148577      -1.11995062
Li      10.97895836       1.64261773       2.53767830      -0.25442577       0.36842913       0.96977780
Li       7.71566195       1.74829696       2.87207674       0.66700390       0.18902905      -0.54661186
Li       5.52034531       1.15081347       0.24592049       0.63277402       0.30673769       0.03580045
Li       8.86035956       1.31031911       6.25207928       0.74354420       0.20447081       0.43785646
Li      11.00760993       0.87588341       9.52211116      -0.62869097       0.54519394      -0.50465890
Li      10.73840904       4.10246518      10.90318142       0.36478522       0.10542128       0.11437597
Li       8.17123005       2.89807773      10.84552256       0.13917529      -0.21417489       0.35859073
Li       8.70441099       5.55754532       7.74608058      -0.14095203       0.05938915      -0.03794675
Li      11.29675334       6.88009614       3.45154542       0.09528098      -0.17670420       0.59500074
Li       7.84099682       8.32728189       5.62200850       0.87894818      -0.87541569       0.04391366
Li      10.08714504       9.82072095       3.87465244       0.59090242      -0.10258192       0.10003709
Li       8.00397919      10.80094452       9.62655115      -0.50500682       0.74485933       0.79999991
Li      10.73327998       4.30101820       6.16426569      -0.01258788      -0.48983838      -0.67827398
Li       3.48750619       9.61052141      11.24032224       0.66273939       0.37775482       0.23863108
Li      10.74311354       8.83757141       7.67359680      -0.29555671      -0.45023861      -0.01128515
Li       1.89646588       5.54978862       0.74516819      -0.71715151       0.21978299      -0.16224817
Li       2.98452586       7.84455388       2.58717887       0.47436298       0.26246326      -0.37771260
Li       2.92500815       4.54311656       4.71554237      -0.39933231      -1.06245032       0.48127740
Li       0.56936661       0.32420114       5.99979164       0.18143861       0.24411988       0.06255748
Li       0.55888704      10.00977316       0.52068532       0.12962679      -0.29672515       0.47547291
Li       2.28835107       1.86728648       0.33870937      -0.43241669       0.82205852      -0.30022238
Li       3.82683862       2.16243100       7.87208097      -0.14442359       0.27591467      -0.01863570
Li       1.90909920       7.52003490       5.99567233      -0.88713855       0.23579043      -0.65297242
Li       2.97235152       7.37165943       9.50780258      -0.59107621      -0.46003374       0.02707899
Li       3.22579807       0.62913103       3.51801662       0.03291431       0.00635803       0.07518720
Cl       0.79378408       0.62452291       1.23119165       0.35326699      -1.71709044       0.75046513
Cl      10.25228460       7.17874035       5.40880267      -1.97194817      -0.14372659      -1.13390667
Cl      10.80474254       5.90624086       1.59423019       0.90212750      -0.31359218       2.40487768
Cl      10.30413742       8.95302682       1.48423659      -0.32607466       0.49832267       0.10732110
Cl       0.79477087       2.49803425      10.34798110       1.26611725       0.65847759      -1.26993374
Cl       2.16507011       2.14585049       4.87505948       0.24852633      -0.36584471      -0.45866194
Cl       9.48185897      10.72623470       8.21101179       1.24261293      -1.33245543      -0.59004239
Cl       1.00972884       5.43674284       5.39486128      -3.43579713      -3.67725729       2.95217924
Cl       8.80574142       1.84049376       9.03866027      -1.26392844       1.14412624       0.29706766
Cl      11.06780464       2.13515635       7.22588866       0.63464714       0.14995454      -0.38020818
Cl      10.43366045       0.49170787       4.55475161      -1.44794056      -0.64793746      -0.92038166
Cl       8.20163721       7.66168637       7.61739518      -0.37102058       0.27885223       1.83515080
Cl       1.46218279       7.85769207       7.88215549       0.09414321      -0.26838860       2.44300352
Cl       8.59526650       5.11619400       0.18978543      -2.08272289       0.66408927      -1.79441685
Cl       0.39021566       6.16408210      10.59310871      -0.09103517      -0.53062053      -2.46900951
Cl       6.87298201       3.86267317       2.41586607      -0.69486961       0.18451431       0.55084246
Cl       7.75364221       1.02202366       0.54772475      -1.40355593      -1.29937379      -0.69773480
Cl       7.93903409       4.85315485       5.88144468      -0.35499520      -0.70223619      -0.25246963
Cl       5.09347469       2.88098088       6.23720845      -0.15388602      -0.07274095      -0.01531997
Cl       4.94041766       2.91781370       9.67575338       0.19027426      -1.00510255       0.10136846
Cl       2.67517604       6.62740690       4.34755836       5.16053342       2.87584453      -4.11076100
Cl       0.20490525       9.45275989       5.85733697       1.29553749       2.10348170      -1.12244542
Cl       5.18269962       7.70410722       1.68977752       1.63478348       0.50870441       0.61615303
Cl       6.25845904       0.22868479       3.15591898      -0.71651409       0.68452079      -0.13901545
Cl       2.54520551       7.81803654       0.20132064      -1.70265770       1.57922864       0.91916561
Cl       6.31032333       9.69246010       5.21210851      -0.50854853      -0.43755006       1.22925678
Cl       4.02031995       9.25839503       9.13475837       1.17749852       0.62579301      -0.86875313
Cl      10.07441993       2.49570495       0.80782989      -0.44550143       1.03493182       0.10938966
Cl       3.20229850       9.92490850       3.21114526      -0.15530109       0.26570364       0.32492728
Cl       3.98207578       5.47560663       0.09638496       0.27224313      -1.38375913       0.17903453
Cl      10.19143586       3.37805189       3.87607527       0.52962837      -0.51502255       1.41232172
Cl       3.57910632       0.27432078       0.17797598       0.99910009      -0.58935852      -0.22272880
64
Lattice="11.4649 0.0 0.0 0.0 11.4649 0.0 0.0 0.0 11.4649" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.95543752 stress="-0.015201202497786443 -0.006225761018170015 0.0023211509902966126 -0.006225761018170015 -0.04105305251998844 0.003254975214527859 0.0023211509902966126 0.003254975214527859 -0.014916111444733924" free_energy=-215.95543752 pbc="T T T" config_type=density 
Li       6.28722505       9.52288352       2.21749510      -0.45012256      -0.03472743       0.35210220
Li      11.09639518       2.03121340       3.27501747       0.19017417       0.06456526      -0.22843812
Li       5.00934729       9.78384757       6.47406852       0.13768512       0.51232257      -0.97392696
Li       6.09315868       5.77062812       1.65563474      -0.03047777      -0.14371972       0.57866492
Li      11.21424289      10.23504871       7.93426112       0.86459318      -0.37835539       0.28785684
Li       8.36491715       0.38398816       5.70285909       0.56056701      -0.40541936      -0.11043410
Li       5.79489931       4.16253831      10.23013027       0.32524392      -0.38849841      -0.85335783
Li       9.93453075       3.86971330       5.94543345       0.62328098       0.27920275       0.45167753
Li       5.55930708       4.54497298       6.07818552       0.33514922       0.01061522       0.94535204
Li       5.24586818       1.49982675       0.44232731      -0.32722399       0.40017445      -1.02793669
Li       7.27251855       2.94411753       3.31460577       0.41910849      -0.28315766       0.46484257
Li       3.31188859       9.49778685      11.25571143      -0.06735117       0.41038756       0.15212981
Li       2.22680460       5.93398001      10.94079356       0.66530816      -0.86345109      -0.17232141
Li       5.27223745       7.84893933       9.64730061       0.06587930       0.10254050      -0.16303978
Li       0.53245289      10.20039032       3.98192028      -0.15039491      -1.07561419       0.51499195
Li      10.42072277       1.60368728       8.46773438       0.19744502       0.14235661      -0.03794784
Li       2.18613860       7.56018436       6.35174950       0.17094206       0.24824668      -0.15784825
Li       9.28463143      11.30459777       1.03259424      -0.17260545       0.59247826       0.16271288
Li       3.31691022       0.36176919       2.91060563      -0.52753759      -0.04798545       0.02322370
Li      10.92076438       7.18766683       8.61082779       0.09864795      -0.84669628      -0.60865697
Li       7.73578077       6.99717751       7.76938439       0.12921316      -0.14703945       0.35874920
Li       1.38700067       0.81990659       6.23190690       0.18029699       0.40640770      -0.21253785
Li       2.68190380       4.09582406       4.57137665       1.10169577       1.90169524       0.63477211
Li       8.99673633       3.10424779      11.15007385      -0.82937236      -0.71083037      -0.11021921
Li       0.93310757       0.67193257      11.29593030       0.61905064      -0.01615772       0.06097054
Li       7.86554050      10.59399180       9.27298309       0.55062211       0.82833768       0.55762909
Li       8.80784064       8.69571391       5.17987621       0.77660901       0.68670135      -0.04063982
Li       2.56680767       7.95333871       2.71156350      -0.53932173       0.05703266       0.20375576
Li      10.75874241       6.70622128       4.74024316      -0.26894668      -1.26520811       1.39073375
Li      10.89141424       8.33651860       0.68836177       0.70588966      -0.34193792       0.01903763
Li       2.58441776       2.88889111       8.35838216      -0.49891012      -0.35334857      -0.35415325
Li       9.88661894       5.09120668       1.62653683       0.16780474       0.14270278       0.40070261
Cl       9.68346091       4.90250589       3.95166441      -0.02681525       0.76025609      -0.71072628
Cl       9.72885045       2.00137027       4.89933011      -1.40409976       1.06150356       1.51270831
Cl       9.84630835      10.93086496       4.03951994      -1.05883050      -2.62653319      -0.27095276
Cl       9.82403205       8.84502131       9.19086001      -0.53550120      -0.72941255       1.68285592
Cl       9.51265683       5.71876091       7.22448062       2.41270264       1.72189788      -1.33575962
Cl      10.41903743       0.26276175      10.37203134      -0.42849456       0.05641313       2.37514602
Cl       7.68504858       4.17470257       1.67173146      -1.23040615       3.29214637      -1.78020522
Cl       8.80491709       1.89366900       1.74556542       2.16339130      -1.86023432      -0.08791281
Cl       3.16197356       0.72668090       0.49389643       0.01176231       1.45977014      -0.97511821
Cl       5.22775364       6.07685560      11.18238193      -0.52211092      -1.99806844      -0.73550291
Cl       0.96475184       0.35102543       2.83020228      -0.67328887       0.56003727      -2.30520096
Cl       0.54877202       2.74818239       7.36054605      -2.19690710       4.34447844      -1.85740614
Cl       1.70438350       2.44537145       4.48669690      -0.51951541      -1.12080589      -0.23700944
Cl       1.21358259       0.75963103       8.55765359       2.09666824      -4.43316446       1.78504824
Cl       3.70800089       3.23553236      10.07298089       0.27830051       0.67500298       0.93475323
Cl       2.95836840       9.91882384       1.88440536       0.58961094      -1.96253970       0.64002081
Cl       0.11542747       7.93713881       3.42892229      -0.32333706       2.04073187      -3.40986874
Cl       0.04683010       6.12554703      11.40611797      -4.15842714      -3.77153825      -0.04286487
Cl       1.70336312       7.85931506       0.13101171       2.81232240       3.38022167      -0.28254066
Cl       6.76681328       9.51591286       7.86322459       0.18540419      -0.82789748       0.24634649
Cl       2.84886714      10.11471312       4.73993361       0.35113579       0.13747783       1.80524472
Cl       0.04212090       8.41797671       6.42499875      -0.15205870       0.62246102       0.85098328
Cl       3.79060549       3.51612432       6.67108136       0.43423734       0.07544518      -0.24289387
Cl       5.33348294       4.98536272       4.02435187       0.10250567       0.07604128      -1.03781189
Cl       7.50127770       4.69292752       8.44166319      -2.93582475      -0.36038407       1.23370498
Cl       7.35194738       1.76149017       9.87159992      -0.03527218       0.02239134       0.37334022
Cl       5.32368046       8.65129889       0.29641352       0.79036391       1.58071714       0.06241140
Cl       6.38331237      11.44112180       1.27767139       0.79743016      -0.06971080       0.72500018
Cl       6.82676324       9.39342187       4.70521789      -0.65459185      -0.03419368      -0.69635976
Cl       4.07248152       8.36447002       7.63498137      -1.57875792      -1.52875414       0.80962854
Cl       1.37835614       5.99159113       4.93851714       1.75230045      -1.27137017       0.53671926
Cl       9.42930701      11.26351903       7.70159243      -1.36683883       1.24399381      -2.07422452
64
Lattice="11.4655 0.0 0.0 0.0 11.4655 0.0 0.0 0.0 11.4655" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.97058403 stress="-0.031918596518069976 0.0013505883632976303 0.006947130563197393 0.0013505883632976303 -0.01927075389764669 -0.003126690144497707 0.006947130563197393 -0.003126690144497707 -0.015300469281445156" free_energy=-218.97058403 pbc="T T T" config_type=density 
Li      10.81310158       6.50453867       8.93282838      -0.09881420       0.58238350      -0.00173522
Li       5.11838265       1.60607577       0.10106804       0.10014150      -0.47211818       0.38327143
Li      11.05313183       6.31082904       4.90549124      -0.79758168       0.08320274      -0.77602034
Li       6.05580193       4.58727776       5.89924053      -0.43948065      -0.14941443       0.36257203
Li       5.81721634       3.99044115       9.86754180      -0.62673549      -2.00337654       1.32652364
Li       8.92526115       2.98270396      10.87038322      -1.24476509       0.87868852       0.60190856
Li      10.71763983       1.45468531       8.63935744      -0.69557716       0.08210543      -0.78422224
Li       8.89937205       0.00904880       1.20858982       0.07940533       0.90477037      -0.05855613
Li       6.29920303       9.62271898       2.50430598      -0.26080690      -0.73312149       0.67868942
Li       5.55015045       6.06839105       1.62600281       0.32996344      -0.30113933      -0.21393729
Li       5.16850981       9.52987136       6.36813361      -0.12760969      -0.06834087       0.70096742
Li       9.85132958       4.00848785       6.29103959       0.51340456      -1.72758956      -0.71680277
Li       8.38277101       0.73686590       5.62785214       0.09565671      -0.77171442       0.07886820
Li       5.23802514       7.60030797       9.61668812      -0.08362414      -0.24682297      -0.15122039
Li       9.97866543       5.64284901       1.49974473      -0.35196532      -0.19532449       0.65369647
Li      11.41604930       9.68972336       7.71461900      -0.29204127       0.54357024       0.09005531
Li       2.26113419       7.78133675       6.43652532       0.15865867       0.59480187       0.53632485
Li       7.53490876       3.37255389       2.43186695       0.37051236       0.05475217       0.37734874
Li       8.94305560       9.03890718       5.45973351       0.33009699       0.26360803       0.44389057
Li       2.99803334       0.35566669       3.26203794      -0.21877458      -0.03633771       0.14900809
Li       1.43694818       0.96017142       0.06096057      -0.35833267       0.22192199       0.77198753
Li       8.00381331      10.29387495       9.18636498      -0.07499165       0.77372677       0.38125435
Li       1.52167823       1.19314579       5.92105937       0.06894295      -0.34093162      -0.54830979
Li       2.47176689       4.29443742       4.77804075       0.57982579      -1.51514567       0.12380492
Li       1.92594029       5.38642311      11.24599300       0.51985342      -0.51820416      -0.38353858
Li       0.20622078      10.24225727       4.04579659       0.35956852      -0.22934510      -0.30535654
Li       2.65195868       3.15707129       8.31912602       0.14936933      -0.24934034       0.07592075
Li      10.84697067       1.96570265       3.30380676       0.27808445      -0.21698748       0.75890274
Li       2.63347630       7.80581559       2.75306146      -0.40033413      -0.35346997      -0.41761579
Li       0.03839658       8.96797014       0.53589174       0.22243953      -0.05805479       0.18255559
Li       3.26770190       9.80907922       0.01671693       0.06468708      -0.06581024       0.56883036
Li       7.84490148       6.61403419       7.52442929      -1.37532595       0.95023223       1.11670054
Cl      11.13897403       5.55146898      11.10719166      -0.71022097      -0.90355846      -0.89272426
Cl      11.39920648       7.77315038       2.59165015      -0.58473326      -0.46599489       0.63771106
Cl       9.07821092      10.61673197       7.28513284       0.03847101       1.60328218      -1.32693793
Cl       9.41763558       5.93883090       6.50880383      -0.93288466       0.11957509       0.12616787
Cl      10.21586369       1.85431532       5.78111148      -2.14400382      -0.65401536      -0.81725642
Cl      11.41367594       7.67744785       6.78512238       0.37496263       2.11494492       1.19975964
Cl       9.81807963       9.04391761       9.29162973       1.32082064      -1.94514902       2.60116908
Cl       9.43132539       4.27198797       3.89593104       0.42938039       1.46629278       0.28801612
Cl       9.55676942      10.76561148       4.19702653      -0.13391065      -0.33735815      -1.10820327
Cl      10.12936796       1.42073597      10.76797338       0.20527013      -1.29088670      -0.92797603
Cl       3.28112800       1.06811107       1.30995631       0.19313123       1.03541350      -1.41991759
Cl       9.48406669       2.34677001       1.79696488      -1.36371615      -0.51630681      -0.08420861
Cl       1.61412456       2.24359197       3.54211717       0.39051801       0.77276223       1.30068489
Cl       0.77803163       2.78839813       6.98505777       1.68439453       2.51376961       2.10841318
Cl       1.01191866       0.86495961       9.46984947       2.60566284      -1.53076463      -0.92407035
Cl       2.56123218       9.85452846       2.27300098       0.91797653      -0.68876902       1.37309334
Cl       0.34115825      11.31643703       2.00748293      -2.16864259       0.47496701      -1.17964082
Cl       1.68194299      10.37195501       6.03891325       0.19231866       0.15803484      -0.38337001
Cl       1.58636658       6.03554239       5.43597700       1.63418610      -0.98808066      -1.35825627
Cl       1.89106224       7.45033923       0.01891807       0.13343176       1.81670490      -0.40973584
Cl       7.65331297       4.85088107       0.77244220      -0.23943209       0.61516384      -0.76459935
Cl       5.89302622       4.57051520       3.60382449      -0.48339576       0.28386596      -0.04992594
Cl       6.60538921       5.05791360       8.46754692       2.71515116       0.87967818      -2.93848143
Cl       6.99514741       1.07809409      10.51795668       0.98622853       0.42373861      -1.02008680
Cl       4.12693793       2.24247982       9.81703627      -0.46096302       0.46771850      -0.63448060
Cl       4.40722354       5.50034432       9.99396040      -2.37737292       0.97734793       1.78573699
Cl       6.00116882      11.35312663       1.49536491       0.88469906      -0.05521706       0.83905461
Cl       6.86821286       9.63567499       5.10485336      -0.93347122      -0.23723997      -1.28085069
Cl       4.24711930       7.89831924       7.52500256      -2.42037036      -0.92200145      -1.05670356
Cl       6.51645132       9.02521738       8.32116688       1.20423607       0.09868747       0.99246169
Cl       4.06692751       3.60444363       6.62345883       0.16496348       0.07414988      -0.86924892
Cl       4.57755501       8.15419481       1.17148746       2.10346467      -1.04192977       0.18863983
64
Lattice="11.4767 0.0 0.0 0.0 11.4767 0.0 0.0 0.0 11.4767" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.05482587 stress="-0.03189325287650584 -0.008833177164283836 0.008535233764160042 -0.008833177164283836 -0.027275509492941916 -0.0007394815306994149 0.008535233764160042 -0.0007394815306994149 -0.026139150257409625" free_energy=-216.05482587 pbc="T T T" config_type=density 
Li       9.85537511       7.27401280      11.35671110       0.24488416      -0.58754617       0.37448589
Li       4.96259394       9.23742368       6.82693795      -0.27681779      -0.44986959       0.73855526
Li       9.19167755       1.47159986       6.68088546      -0.92095207      -0.28739332      -0.59959172
Li       6.68896506       6.37176055       1.57363920       0.12768434      -0.54563997      -0.98451364
Li      10.80432605       4.57773428       6.10403209      -0.28813977      -0.53357222      -0.12022089
Li       5.91782263       9.98817201       3.03963843      -0.29349632       0.16334339      -0.98071142
Li       5.41153949       1.20119733      11.34922829      -0.88953185      -0.36112635       0.59626753
Li       3.93985930       2.24990374       7.62639339      -0.84388265      -0.45901914       0.10820684
Li       5.04651157       4.48821602      10.17369287       0.14527100      -0.06343746       0.14570499
Li       6.44788550       4.33096228       4.96463679       0.05606305       0.05945616       0.08742530
Li       7.35925025       1.90680780       2.59364239       0.08813819       0.30798137       1.08042003
Li      11.10037901       0.88496260       9.19968829       0.27808510      -0.19975961       0.93762945
Li       9.47875573       4.49023592       2.51283494       0.45574312      -0.45355841      -0.16946068
Li       8.26849181       2.59289640      10.58522437      -0.78381670       1.22126973       1.05844754
Li       8.60043240       5.60320038       7.98975719      -0.12590524       0.05052890      -0.69030443
Li      11.13740284       6.47094219       3.93345530       0.36846786      -0.02410007       0.60589117
Li      10.94209236       4.23380054      10.80648367       0.01476791      -0.36748882       0.55765421
Li       1.65061342       7.54812230       5.98442192      -0.40051455       0.48808645       0.06778979
Li       3.32240136       0.45932164       3.43093651       0.19736497       0.23874438      -0.64991635
Li       2.15623092       1.99881650       0.13052451       0.29493766      -0.38172955       0.98184851
Li       7.80244597      10.81224498       9.60454036       0.11004723      -0.39259652      -0.37102334
Li       2.10256587       5.50343343       1.14347527       1.15262651       0.40967755      -0.88990603
Li      10.38692995       8.59786162       7.51964861       0.36643883       0.69253937       0.03507325
Li       1.10450498       0.36707077       5.82192333      -0.43703941      -0.25965095      -0.27249175
Li       2.51507290       7.37103682       9.42227889      -0.40450438      -0.11894405      -0.10029571
Li       7.59258304       7.60953412       5.81636861       0.15795773       0.05772756      -0.12151645
Li       2.67535649       4.09891488       4.69226027       0.09491744       0.02481301       0.02918685
Li       0.45302667       9.85540954       0.28520518       0.05835914      -0.06162967       0.39362931
Li       3.21820440       7.99606938       2.53871490      -0.29834754      -0.87904773       0.32738076
Li       3.77018776       9.80858461       0.15959843      -0.01313056      -1.24205552       0.08746295
Li      10.15312662       9.98527988       3.76559708       0.01992328       0.26327552      -0.20995971
Li      11.02311786       1.59940439       2.61438078      -0.64681789       0.30146235       0.19521972
Cl       8.51670987       4.51758490       5.79486127      -0.68778905      -0.39570116       1.74381687
Cl      10.30985243       6.89118451       6.27265925      -1.21808219       0.28782650      -0.47293119
Cl       8.92598047       1.12503450       9.42432174      -0.13451332       1.13682235      -0.05537958
Cl       9.57437959       0.62459185       4.39901911      -1.02780335      -0.99813857      -0.62673964
Cl      10.24530747       8.78539090       1.55117930      -0.43320941       0.11013883       0.02807643
Cl      10.67881686       3.26733615       4.22867045       0.77355256       0.56990998      -0.87731590
Cl       0.27808044       5.60929451       2.02409967      -1.22390501      -0.40179268       1.83818621
Cl       7.97605401       5.11555540       0.20868084       0.46283011       1.35810841      -2.34761339
Cl      11.15340136       1.36902111       7.22131179       2.32113430       1.38609849      -0.93237345
Cl       3.38857601       0.32610354       0.03048315      -0.04957217      -0.48385820      -1.24856222
Cl       7.22048547       7.30314066       7.96181143       0.08722043       0.01338169       0.37614714
Cl       0.67595009       0.42458396       1.11621122      -0.66662189       0.01246102       0.65215883
Cl       2.72408656       1.78610734       4.92817532      -0.40267681       0.27161066       0.77743724
Cl       1.23330914       5.39257998       5.61999079      -4.63579133      -4.32626399       4.36081149
Cl       0.94342376       2.57418938      10.13821839      -0.81932282       0.98637862      -1.30122843
Cl       0.38095873       9.65067669       5.10550181       0.51959557       0.02883954      -0.34344409
Cl       2.77668427       6.50856281       4.51872109       6.28171612       3.91996066      -5.12741849
Cl       0.51406664       6.20096430      10.82085250      -1.48370838      -1.43612806      -2.36655381
Cl       1.16728368       8.37733683       7.91429789      -0.02196789       0.33171389       0.82382610
Cl       1.97493349       8.31918439      11.32218919       1.30402705       1.90277778       1.51121798
Cl       7.38151505       5.04397522       3.02642874      -0.44791387      -0.57037621       1.34285311
Cl       7.26841217       1.38057815       0.65060035       0.01222590      -2.15585019      -2.65503903
Cl       5.13876129       0.94520494       2.16866019      -0.07421845       0.90081427       2.63533141
Cl       5.30278628       3.30255815       6.57743449       0.60519505       0.83397787      -0.82398865
Cl       4.81864169       2.17218353       9.61040495       0.27947613       1.26281021      -0.66118398
Cl       9.40947089      10.60102779       7.70723527      -0.81453271      -2.50787652      -0.40296806
Cl       3.69499243       9.98775885       2.86848640      -1.47123092      -0.06847311       0.25648513
Cl       4.57250091       5.82308248       0.42345580      -1.36787062      -1.65041281      -1.09650963
Cl       6.09700835       9.40210285       5.02087262       0.91964539      -0.31965502       1.19267071
Cl       4.29330723       8.52615520       8.98121783       0.89653325       0.68565325      -0.38070124
Cl       9.34283717       2.76308439       0.96704740       4.03166799       0.91665809       1.29034216
Cl       5.38484469       7.78006641       2.15848035       0.87712955       1.78784378       0.64222271
64
Lattice="11.4661 0.0 0.0 0.0 11.4661 0.0 0.0 0.0 11.4661" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.62815518 stress="-0.0297096979896213 -0.00873411183157367 0.0011788796724901006 -0.00873411183157367 -0.024820522228157085 -0.0007218737403760772 0.0011788796724901006 -0.0007218737403760772 -0.02503127235121867" free_energy=-218.62815518 pbc="T T T" config_type=density 
Li      10.80839304       6.26571914       8.99009890      -0.10559937      -0.32648948       0.00096968
Li       0.03627794       9.36412308       7.89817073      -0.52286398       0.14007393      -0.27154301
Li       7.65297965       3.53637456       2.45768974       0.01106867       0.72637434       0.35090011
Li       5.18654128       1.27456021       0.15412044       0.27142267       0.07056840      -0.90472379
Li       8.60468888       3.19501730      10.69928163       0.11030239       0.46090652       0.42940964
Li       5.91115293       4.45799675       5.67708397       0.07785829       0.24995769      -0.21154003
Li      10.97836650       1.32720108       8.45171964       0.11220253       0.06074926      -0.65932169
Li       2.35258000       7.89755156       6.56985744      -1.05676986      -0.03455296      -1.24231510
Li       5.66278574       4.16359316       9.45596654       1.65705406       2.12644232      -0.02666939
Li       5.86494455       9.71998496       2.87584694       0.01804752       0.09303517      -0.01752869
Li       8.37846273       0.77789921       5.74590350       0.15146827      -0.39658832       0.14789400
Li       5.57321257       6.12718572       1.30710100       0.61166142      -1.23421173      -0.11809088
Li       5.24201427       9.37875383       6.59421144      -0.07686486      -0.11656116       0.29699233
Li       4.85259111       7.27544684       9.58208218      -0.32620888      -0.12712015       0.12966111
Li      10.58410466       2.23152092       3.25349441      -0.10292415      -0.41726090       0.21110820
Li      10.35261556       3.68531920       6.47223507      -0.28954023       0.00952384      -0.42450040
Li       0.08637023       9.85630542       3.93184035      -0.00337928      -0.02109755       0.12068100
Li       8.55348128       0.21745000       0.97477100       0.64867030       0.00835368       1.06590958
Li      11.10858700       6.27751776       4.82597830      -0.56271685      -0.91499278       1.21941748
Li       2.78305179       0.38935550       3.13321502       0.11153500       0.52623440       0.03849673
Li       8.79220548       8.95448519       5.62803199       0.27023536       0.71622033      -0.16437919
Li       0.14633381       9.35657839       0.47494994       0.37435723      -0.55874431       0.07125593
Li       3.55572934       9.74564609       0.26779535       0.19250609      -1.31531745       0.08401324
Li       1.49952509       1.33688993       0.31390513      -0.74423537      -0.32600202      -0.37432925
Li       2.60067201       7.65813939       2.87873640      -0.14357387       0.58859828      -1.33775207
Li       2.84330615       3.35640266       8.37770597      -0.32114646      -0.27152916      -0.19939209
Li       8.20443026      10.36353129       9.10885330      -0.04641550      -0.66672619      -0.08215940
Li       9.76981663       6.04566175       1.47896637      -0.45339655       0.02903361       1.20629745
Li       1.97732895       5.18601384      11.26327616      -0.78927267       0.56359722       0.20040561
Li       1.52525502       1.22590955       5.95029820      -0.52035738       0.01752281       0.74619652
Li       7.90461468       6.88423497       7.59825195       0.07109115      -0.30030285       0.44929795
Li       2.57944825       4.32987455       4.95466234      -0.31034038       1.97374547      -0.36825612
Cl       7.64524003       5.15995139       0.42911535      -0.47392760      -0.00642253      -0.49081917
Cl       9.69934598       4.11063125       3.92281653      -0.19946881       1.08442552      -0.47142578
Cl      10.39139391       1.63972110       5.60105226       0.49003835       2.57467687       2.09517627
Cl       9.81597915       1.52871778      10.22682098       0.49264290      -0.05937810      -1.26083908
Cl       9.28913479      10.55040579       7.26607904      -0.19672814       0.55828705      -0.07372878
Cl      10.89058204       5.43485114      11.37603378       0.72591354      -1.27289226      -1.77793076
Cl       9.09957722       2.29555908       1.39113605      -0.18085820       0.14629841       0.86316913
Cl       9.64889514      11.21007345       4.28023780      -1.44276647      -3.88292651      -2.56630871
Cl       9.70742958       5.81262473       6.57329727       0.82514132       0.60016006       0.10455265
Cl      11.29223953      11.04891742       1.78816123      -0.27793469       0.61851598      -0.84960644
Cl       3.32459570       0.26086065       0.75401303      -0.08129894       3.80660953      -2.06106255
Cl       7.43140873      11.33334549      10.79303993      -1.54258943      -0.58570654      -1.16073465
Cl       0.87818287       3.01033283       7.20447168       0.23963860       1.54830141       0.88539791
Cl       1.98931102       2.51109883       4.37429422      -0.27016724      -1.78495968      -2.89560221
Cl       1.40269388       1.33811680       9.57261118       1.00873793      -0.45045658       0.71079288
Cl       2.55183789       9.90258260       2.24985521      -0.92192529      -2.85153918       3.02767023
Cl       0.26929053       7.02110581       3.11090199      -1.24612902       0.99262991      -2.40366447
Cl       1.58142744       7.42708601       0.23623720       0.91055942       1.17687876      -0.59103580
Cl       1.16519655      10.61072894       6.30679071       0.87719431       0.44124196      -0.21088608
Cl       2.62135685       6.78960525       4.69292567       1.70066040      -1.44709013       1.15215937
Cl       3.91043314       8.03611938       7.72159279      -2.62862272      -0.41387389       0.32932789
Cl       0.27584111       7.85015070       6.27030558      -0.66300781       0.25355442       0.49622664
Cl       5.94628506       0.17631995       1.82516233       0.97831642       0.29491597       1.85431555
Cl       3.90269352       3.81011623       6.36369697       1.35284836       0.12924806       0.86594154
Cl       7.46618541       4.51449022       7.34599775      -1.91263901      -0.74829449       1.13899949
Cl       4.75889014       2.56865865       9.05895283      -0.40775970      -3.33977065       0.47384261
Cl       9.67142603       8.10273742       8.92779211       0.12379710       0.06634764       1.06718640
Cl       5.02497246       8.03285154       1.74137954      -0.33978304       0.79172622      -0.54200081
Cl       6.60224918       9.79930744       4.97734228       0.19611498      -0.07059750       0.10626787
Cl       6.25325549       8.40860710       8.42475137       4.43528467       0.80561542       0.89512671
Cl       6.08336229       5.23544419       3.34392754      -0.03191651      -0.70035770       0.54534286
Cl       4.00835364       5.32571680      10.40597879       0.14675903       0.39139228       0.37774384
64
Lattice="11.4892 0.0 0.0 0.0 11.4892 0.0 0.0 0.0 11.4892" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.32472915 stress="-0.020256774676810963 -0.001638196760535329 -0.0035161087902949883 -0.001638196760535329 -0.02574410361162599 -0.0027104064705623246 -0.0035161087902949883 -0.0027104064705623246 -0.021015187815677808" free_energy=-216.32472915 pbc="T T T" config_type=density 
Li       4.25951750       5.74733443       9.19094639       0.02721496       0.51637506       0.06345131
Li       6.83522380       3.41733616       5.38391954       0.80363455       0.16503126      -0.64389420
Li       7.79804174      10.52978286       9.79053327       0.69415202      -0.11820998      -0.34511576
Li       4.08873054       1.56161206       9.76522256      -0.19097075       0.48857226       0.58934432
Li       6.05394671       9.93197681       3.78621990      -0.24203122       0.23972181      -0.45639522
Li       4.53738380       8.81290575       0.09173299      -0.60395567      -0.23757272       0.55774348
Li       6.22813447       6.04176816       1.59877963      -0.12689283      -0.48503717      -0.90263719
Li       7.36285382       6.74576889       5.32560037       0.04423948      -0.15652756       0.18526048
Li       5.53563443       9.16198212       7.56752243       0.07163495      -0.84803026       0.37123742
Li       9.54295250       4.90405013       2.95372396       0.04990969      -0.43861933       0.62262466
Li      10.47188879       1.55289176       2.97630024      -0.51692971      -0.00676956       0.79338348
Li       8.97417965       0.42928362       6.68187745       0.40727830      -0.26193190      -0.35769394
Li       9.31486890       3.25200657      10.85606466      -0.36060428      -1.86597049      -1.41058724
Li      11.46825519       1.22854016       9.27827580      -0.43690176      -0.15836535      -0.71187819
Li      11.44052026       4.87273057       9.31753439       0.63042911       0.00801218      -1.59268806
Li      10.43659396       9.57447886       3.34051937       0.02079769      -0.31620779      -0.46068447
Li       9.97917444       6.97108359       0.78281090       0.28055351       0.33187530      -0.37965972
Li      10.51015931       8.20591983       7.52231243      -0.15440507       1.15578984      -0.15499895
Li       6.97404780       1.93406895       0.94705820       0.25362782      -0.11747186       2.52266242
Li       1.39236466       8.61372898       9.72713586       0.15223617      -0.31847277       1.17306653
Li       8.37216855       5.84660112       8.43430214      -1.04434291       0.34128384      -0.06048543
Li       0.01379715       6.11594243       4.52000064      -0.23160792       1.41974318       0.68910741
Li       0.85214592      11.09575235       6.35357356      -0.16750113      -0.56216928      -0.69841950
Li       3.88403895       1.66978288       6.37281797      -0.49481680       0.48897230      -0.73877928
Li       3.52584016       1.19754229       2.66010597      -0.15460612      -0.41487336       0.42440075
Li       2.47419922       7.27620227       6.62228297      -0.19114280       0.23963669      -0.32410259
Li       1.40099305      10.31260252       1.22597806      -0.24631851       0.06851147       0.21458950
Li       0.84425514       3.21449433       6.49796982      -0.16668912      -0.02893748      -0.85434021
Li       1.40488789       3.02941481       0.61694591       0.66233355      -0.22872725       0.26716527
Li       3.08849228       7.98525825       3.35539788       0.02569417       0.89983211      -0.31925110
Li       1.96190728       6.31985275       0.69116155      -0.42661138      -0.06984666       0.26223539
Li       2.98549160       4.34815668       3.96824330       0.39929157      -0.78157235       0.47348947
Cl       3.64294958       8.33395547       9.50809427       1.66830696       1.20994834      -3.28557521
Cl       9.17885975       0.86549867       9.64692976       0.12620836       0.51479843       0.43576709
Cl      11.43030636       3.12138586      10.45638986       0.71626270      -0.48907421      -0.26809798
Cl       2.12680028       1.02160358       5.02419269       1.12759308      -0.27302036      -0.43429629
Cl      10.98590410       1.29059333       6.70084612       0.18896476       1.80288149       2.27347663
Cl      10.32341385       9.64698720       1.09256892      -0.30165790       0.10635864      -0.50572568
Cl      11.47422957       6.91891113       2.32232349      -1.03162170      -0.25064824       0.10261213
Cl       9.45800135       6.68473826       6.86529104       0.22204997      -1.62031805      -1.40174432
Cl      10.34360038      11.33488855       4.49421887      -2.27415948       2.69196261      -2.04713984
Cl       9.16825522       9.91083668       7.59013317      -1.08756527       0.46308929       0.46004798
Cl      11.37430800       9.18505243       5.23126254       1.72516861      -3.46188956       0.19511455
Cl       1.58596917       5.38038087       7.06184827      -0.47764541      -0.38769639       0.83815522
Cl       9.29742829       4.47429660       0.86877194      -0.64058410       1.32707523       0.49664159
Cl       2.41234137       2.50672515       7.85204098       1.21961744      -0.98723544       2.02154496
Cl       8.30366994       2.61799805       3.67649804       0.52043014      -0.13632568       0.05263825
Cl       0.11811357       6.46512220      10.51829366      -0.56722038       0.71242124       0.25338819
Cl       5.83714551       0.47837008       2.78508548       1.57373364       0.41343740       0.83700275
Cl       7.31269197       5.51296624       3.27744366       0.69655329       0.60651669       0.93340144
Cl       3.99216381       1.99160686       0.66834170      -2.26270035       1.62676043      -0.03842111
Cl       4.75317395       3.66465268       5.51247220      -1.68321352      -0.83054950      -0.74841512
Cl       6.79482777       5.14410547       6.87188584       0.30030428      -0.28456430       1.03646417
Cl       6.20914282       1.68518990      10.66093208       0.80864480      -0.59582453      -3.28252554
Cl       2.13599164       6.23922155       4.04054483       2.94024528       3.08545922       0.92828465
Cl       0.98284591       8.56141865       7.79361840       1.31328082       0.83406718      -0.44112884
Cl       4.81907600       7.34026605       2.26681916       0.37419597       1.91682789       1.56641424
Cl       2.15161695       8.36570013       0.21075214      -1.30421943       1.79004806       2.21450218
Cl       3.60085315      10.60804730       1.84634891      -1.18255452      -1.52261710      -0.17915817
Cl       5.72311520       8.42119297       5.43965365      -0.27678421       0.42539027       0.13985484
Cl       6.87956062       7.76039163       8.83248335       0.03060570       0.33231340       0.90324915
Cl       4.08793778       6.31433794      11.40631691       0.75573544      -3.26675066      -1.25549946
Cl       0.61772373       4.24504111       3.94842443      -2.11329043      -4.21306170      -0.30264290
Cl       0.78622664       1.34987760       1.79118926       0.12861590      -0.48782427      -0.29634038
64
Lattice="11.4673 0.0 0.0 0.0 11.4673 0.0 0.0 0.0 11.4673" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.6500111 stress="-0.02772247729955142 -0.003900609451459548 -0.004226243968420289 -0.003900609451459548 -0.032361214616969655 -0.001997867986865085 -0.004226243968420289 -0.001997867986865085 -0.02210666508310093" free_energy=-218.6500111 pbc="T T T" config_type=density 
Li       5.21780498       9.82241902       7.41796702       0.31261382      -0.26196606       0.04581344
Li       8.26571011       3.79552723       3.01803282      -0.06957533      -0.81429019      -0.37546144
Li       5.39480275       1.13705160       0.09468240       0.07313720       0.00386197      -0.21282145
Li       5.88913512       4.03937936       5.39523851      -0.49682525       0.07652678      -0.96730281
Li       8.23451906      11.39045762       1.78178907       0.21977165      -0.04703230       0.66121115
Li       6.03443728       4.32819478       8.52326567      -0.35246895       0.05271043       0.10480746
Li       5.23697830       9.69078588       3.67165745       0.19416801      -0.38440981       0.33006812
Li       3.51408528       7.25904171       9.57044804       0.70680639      -0.51701291      -0.17157778
Li       9.52603518       6.98540900       1.26032507       0.42768875      -0.45073553       0.27437261
Li       4.32298862       9.11857908       0.46417796      -0.00032151       1.34725920      -0.37645483
Li      11.01055744       9.30446401       7.87860847      -0.02581870      -0.44679845      -0.34963954
Li       8.90477127       3.00411152      11.03897341      -0.14733270      -0.38941924      -0.68543219
Li      11.21500793       1.50875266       8.91322267       0.50815118       0.10703319      -0.71745527
Li      11.03171461       1.55350953       3.16674076      -0.40265770       0.64654793       0.09666520
Li      10.92136478       3.62245127       6.27910359      -0.20569987       0.47808692       0.44502373
Li       6.39328350       6.18311082       1.46534893       0.37670660      -1.19891530      -0.40481610
Li       2.00824531       8.03710949       5.99513884      -0.30305937      -0.21467068       0.39651308
Li      10.51667230       6.33194491       4.61385669       0.68329230       0.53632953       1.14289328
Li       1.87712821       0.24426840       5.66844693       0.01443965       1.44620457      -0.26356588
Li       2.60483160       0.43391002       2.52844791      -0.02402439       0.24585785       0.44160384
Li       1.01000424       2.06219896       0.14188032       0.01722259      -0.43334360       0.94788325
Li      10.66102267       5.88614216       9.30868398      -1.09429516      -0.09636532      -3.53421814
Li       8.07300213      10.34556871       9.37556127       0.08159311       0.20965858      -0.04754701
Li       8.25253418       8.84484316       5.21218600       1.43172092       0.19731896       0.12560475
Li       2.47694827       4.22821139       4.72953881       0.05505051      -0.24365103       0.23766860
Li       8.00972557       6.35418000       7.35204152       0.24938855       0.47094371       0.56981704
Li       8.99726651       0.76781257       6.12216212      -0.09713025      -0.53925469       0.40932301
Li      11.39025121       9.83376018       3.87467453      -0.12996377       0.41322419       0.88485759
Li       2.57532623       7.57512637       2.72576574      -0.05401185       0.19857459      -0.16026194
Li       0.84281215       9.62562869       0.50814588      -0.50044997       0.03714785       0.38656976
Li       1.41459466       5.93557769       0.46010477       1.19674407      -0.57726753       0.68237604
Li       2.96989309       3.05960178       8.34703620      -0.85539847       0.00485126      -0.54204947
Cl      11.19849502       8.52396517       2.30224395      -0.82801933      -1.49174044      -1.60710869
Cl       7.78525318       0.38874720      11.21269154      -0.99298963      -0.24372961       0.18968839
Cl      10.88962330       8.27465461       5.69683997      -1.85844643      -0.76613562      -1.46024594
Cl       9.48455796       7.85211900       8.46348663      -0.08408978      -0.99557837       2.40033935
Cl       9.17164975       1.52157310       9.06789362      -0.23936226       1.17495302      -0.91212679
Cl      10.22276540       5.65222070       6.92065316       1.60214858      -1.61643202       0.06080991
Cl       7.68259791       4.55280478       6.19398182      -0.41101510      -0.53579955       0.89495008
Cl       9.25657657      10.36688642       7.41722165      -0.51924865       1.84260563      -0.52051117
Cl       9.49007373      10.89400380       4.23423172      -0.72792491      -0.48602779      -1.10778713
Cl       3.05269847       0.74648912       0.55512511       1.40099828       1.26055834      -2.31058593
Cl       7.77182497       4.45260352       0.75734521      -0.36105230       0.62428181      -1.45512267
Cl       0.49183708       0.27324970       1.89122152      -1.37919679      -1.08623150      -1.13441934
Cl       1.91651838       2.22926605       3.56801599       0.71168172       0.86758604       0.58043693
Cl       1.07020412       2.14954539       6.59136964       1.06391126      -0.13077595       1.65263475
Cl       0.44512160       3.31191678       9.95977434       0.77647875       0.15330800      -0.45878546
Cl       2.41305247       9.82731556       1.94397110       2.46008668      -2.00818819       1.96167986
Cl       2.85837360       7.47447788       0.22196450      -1.31209354      -0.68430929      -1.10094487
Cl       1.14261897      10.01892267       6.50238339       1.61497476       1.88809505       0.41189072
Cl       1.38676352       6.37906405       4.59949963       1.57343098      -0.90663362      -0.96431637
Cl       3.43199088       8.41477354       7.75622944      -0.16327932      -0.07993487      -0.41673525
Cl       6.32342471       4.86416491       3.25493577      -1.67255364      -0.32133995       1.12230988
Cl       4.07621233       3.98093053       6.54577565      -0.48953599       0.22442513      -0.23446734
Cl       4.57813605       2.81406395       9.63378194       0.86374094      -0.44249598       0.71803352
Cl       5.20836739       7.82834729       1.73327093       0.27708875      -1.58867303       2.05599549
Cl       6.09155590      10.39415566       1.92564635       0.47164093       2.14039237      -0.27666311
Cl       6.61836366      10.12582084       5.51872986      -1.82042203       0.26687317      -0.11401997
Cl       6.51742849       8.88501311       8.87435999      -0.09966675       1.45693542       0.16645242
Cl       5.60137469       6.34785006       9.55477224      -0.24112239      -1.65697039       0.19197366
Cl       9.36269496       5.53572440       3.18162532       0.59247380       1.06240259      -0.71248358
Cl       9.97386765       2.38433835       1.28409679       0.36316483       0.05758884       0.82636535
Cl      10.10930793       2.19146983       4.96790958      -1.15483168       1.20520384      -0.41653646
Cl      11.13716790       6.05724574      11.10071335      -1.20643181       0.95878202       2.59483168
64
Lattice="11.4689 0.0 0.0 0.0 11.4689 0.0 0.0 0.0 11.4689" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.77838449 stress="-0.037161611383563144 -0.00048122383012618234 0.004744095545598914 -0.00048122383012618234 -0.018419660889362043 0.006204577972830697 0.004744095545598914 0.006204577972830697 -0.032990531483106766" free_energy=-215.77838449 pbc="T T T" config_type=density 
Li       9.60153370       7.08189665       0.59486776      -0.39782808       0.43894925       0.48348966
Li       4.59813433      10.04939425       7.17142289       1.12508624       0.92506634       0.10254334
Li       6.35853019       5.61145752       1.64048852       0.31730863      -0.09351953       0.14816245
Li       5.34870502       9.53595453       3.27572428      -0.09647376       0.03165545       0.10497153
Li       5.54390570       4.60360499       8.81638428       0.01352147      -0.61425830       0.43029588
Li      10.86105977       1.55038884       8.90180464       0.47477435      -0.60183011      -0.54374771
Li       4.83068921       9.42921348      11.34425599      -0.56989244       0.18577076       0.01133055
Li       6.01289195       3.19957078       4.80278538       0.69749307       0.10022643       0.15951379
Li       5.41731198       1.43790187       0.17986217       0.74626754       0.20382286      -0.63579705
Li      10.96622958       4.92388549       9.85860910      -0.71422484      -0.49298361      -0.23280167
Li       8.71800405       2.68621135       0.14420651      -1.20829201      -0.14377851       1.90249039
Li       3.19493735       7.25148728       9.09703973      -0.36473168       1.00656202      -0.94226045
Li       9.22786547       4.19051815       2.78080684       1.81601146       0.13677834      -0.13956314
Li       7.74096846      11.15864332       2.95245040       0.47507636       0.33961838      -0.37953018
Li       8.50881132       5.51604774       6.60855221       0.39571415      -0.00688430       0.17488241
Li       1.66300197       7.58041533       6.09967712      -0.25814848      -0.04359838      -0.36355892
Li      10.52675280       6.79613754       4.40441314      -0.14173438       0.73782446       0.20846632
Li       3.36470001       0.57158016       2.71090389      -0.06896554       0.62688868       0.14108688
Li       1.60995831       2.42821845       0.36308358       0.77837162      -0.65227183      -0.09444423
Li       7.91404563      10.70073602       9.88238413      -0.23545202       0.32076579       0.12220698
Li      10.95285684       9.92968187       3.78320017      -0.21586558       0.26661022       0.17978428
Li       1.97859169       0.24458232       6.14899339      -0.16759257       0.99128783      -0.28311260
Li      10.85710300       3.47008773       5.96354128       0.00330447      -0.23274809      -0.48846514
Li       2.30687748       3.85239204       4.58313300       0.36753385       1.61843917       0.35023361
Li      10.51711893       9.44319407       7.19667741      -0.12409537       0.17366050      -0.09316744
Li       2.83266920       2.44238254       8.52286072      -0.12119071       0.72840408       0.45607901
Li      11.06958731       1.61600242       2.89550731       0.42205960      -0.09862216      -0.41386180
Li       3.11083590       7.59870823       2.84870273       0.79914389       0.78477700      -0.14910126
Li       1.43252295       6.24619232       0.35634675       1.23757628      -0.25657666       0.57267808
Li       1.35061207       9.90568893       0.54775810      -0.28317764       0.25213876       0.60051254
Li       9.02346674       1.10604581       6.23226907       0.15785341       0.53441476       0.10017625
Li       7.42123847       9.08561670       6.10498722       3.06449838      -1.51438461       1.03517120
Cl       7.82173246       3.10895501       6.35932155      -0.78360409       1.32655572       0.95686137
Cl       3.43925933       1.02832336       0.62780185      -0.76808989       0.50856940      -1.19689740
Cl       9.84171541       2.82052364      10.08149570      -5.53951274       1.00889185      -1.64416037
Cl       8.99977199       0.44007431       8.40751799      -0.40212948      -1.49409099      -0.33289358
Cl      10.72882335       9.33134936       1.68122605      -0.39602653      -0.52550668      -0.64786037
Cl      10.14463199       6.16601324       2.50087393       0.44755141      -0.23065960       0.27799911
Cl       8.86810902      11.03687801       4.79206196      -0.17925900       0.70404093      -0.76829276
Cl       9.45796601       8.49895953       5.45287704       0.40170110      -0.90526615      -3.32525124
Cl       0.13636522       5.59151310       5.74090699      -1.25647942      -1.21669721       2.01789424
Cl       9.59787512       2.43512272       4.20045022       0.53181253       0.49104690      -0.12904931
Cl       5.95359774       9.99449262       5.47615890      -3.01875213       1.83926816      -1.28045718
Cl       8.18756743       5.37103497       0.33065297      -0.75141689       0.04000375      -1.18618346
Cl       1.17224774       0.22995603       2.09443905      -1.81436897       0.09063781       0.14247904
Cl       0.14369844       1.50527019       6.77526414      -0.24770400      -0.30379131       2.21121965
Cl       1.22914495       2.17803586       4.43906068       1.68084455      -0.20536510      -1.05515653
Cl       0.65188998       3.09936700       9.94753895       7.30131620       0.45372782      -2.03529321
Cl       3.24858886       9.96147366       2.62774290       0.79516085      -2.72745665       0.36556757
Cl       0.83830090      10.07964921       5.70506668      -0.47269330      -1.39486248      -0.25818403
Cl       2.20819907       6.34341418       4.24197911       1.25709454      -0.16985571      -1.09701757
Cl       3.26582662       8.62264015       7.15519439      -1.28980232      -1.87991597       0.15377638
Cl       7.70243296       0.23660570       0.42301891       2.26471708      -0.20489564      -2.16986767
Cl       2.67449014       8.36206674      10.91432134      -0.30459109       0.47018379       1.08553858
Cl       5.86165157       0.41227255       2.15018937      -1.94852933      -0.21407407       3.37109445
Cl       4.24096984       3.88911546       7.24024776      -0.75393474       0.14777028      -2.52718201
Cl       4.72081715       2.49364852       9.68961485       0.96566109      -0.43846461       0.71194275
Cl       5.58772836       7.18751375       3.19343492      -0.10665978       0.08192274      -0.50470544
Cl       9.50558488       7.45064473       7.74789568      -0.58197253      -1.68568048       3.43402252
Cl       4.88095740      10.23275902       9.27470446       1.08985075       0.42649377       0.74073832
Cl       4.16592883       5.79552189      10.05510576       0.75159970      -0.83595921       1.02771314
Cl      11.24632306       2.97945966       1.11502481      -1.17981593       0.94636774       2.24453397
Cl       7.31409600       3.72045382       2.75581611      -3.24444456      -0.43344856       0.25066028
Cl      11.28090179       6.77022930      10.82828165      -0.37145271       0.67830476      -1.35825281
64
Lattice="11.4915 0.0 0.0 0.0 11.4915 0.0 0.0 0.0 11.4915" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.82673295 stress="-0.01889683045985438 -0.0014259099030288383 -0.001982159275557443 -0.0014259099030288383 -0.030167736754182453 -0.0016825030368087619 -0.001982159275557443 -0.0016825030368087619 -0.016171394547664093" free_energy=-216.82673295 pbc="T T T" config_type=density 
Li       0.02755880       6.17922087       4.95516927      -0.57778034       0.14826646       0.03734269
Li       5.76027526       9.06384018       7.55034069      -1.54699771       0.56966382       0.29389609
Li       1.50771927       8.62632430       9.80831701       0.07995023      -0.48042597       0.24017092
Li       9.25432329       3.18051395      10.55031168      -0.02758564      -0.01981514       0.20849548
Li       6.72868694       1.92651550       1.27930273       0.46758725       0.59831456       0.17475163
Li       9.12843391       0.75156249       6.50395917       0.61057080      -0.02427934       0.59451140
Li       6.09412631       5.70053095       1.76342813       0.48349905       0.23478303       0.43564401
Li       6.81226462       3.03531884       5.21014268      -0.15727397       0.72887282      -0.35915524
Li       7.73813478       5.75701167       8.45435401       0.50709912      -0.05958752       0.01693083
Li       4.10383299       1.43434605       6.52257540      -0.04402727       0.19894152       1.16190612
Li       4.18660626       1.97279177      10.31331098       0.76050392      -0.61972061      -1.14385910
Li       6.01159436      10.00820016       3.76438557      -0.07334631       0.59945262      -1.49589758
Li      10.09812115       1.62216312       2.74240051       0.51197911      -0.16443747       0.10130437
Li       4.58064980       8.65796040       0.15668086      -0.48154943      -0.22437124       0.05857746
Li       7.08974987       7.13044128       5.30031648       0.50451185      -0.93720865       0.03840348
Li       9.57175299       4.57514537       3.27708851       0.96993104       1.40039648      -0.59836616
Li       0.91192177      11.05874160       6.01784574      -0.08966085       0.23486307       0.12803978
Li       2.38954251       7.43504647       6.46421007      -0.00680880       0.31322984       1.17358742
Li       4.05685574       6.02428098       9.34209537      -0.19568030      -1.21181686       0.08976508
Li      10.39055684       9.40616048       3.38114405      -0.05937439       0.16206771      -0.28086158
Li       1.84776425       6.25444423       0.68822249       0.11475837      -0.16006689      -0.04837802
Li       3.63252061       0.89384105       2.49105842      -0.11691962      -0.31017140       0.10873716
Li       9.96984154       7.24367852       0.60427593       0.38594145      -0.56050121       0.33477866
Li       3.03464085       7.94362578       3.38079930      -0.03461047       0.13437840      -0.38349348
Li       1.27552203       3.18743183       0.74231987      -1.58407240      -0.09170767       0.34400270
Li       1.35182559      10.37919175       1.24454094      -0.20399154      -0.10569157       0.02913109
Li       7.83817978      10.37660616       9.60793973       1.05391924       0.62174372      -0.05032900
Li       0.13920688       4.93975917       9.13769606      -0.19726944      -0.10922992       0.45128157
Li       0.16808042       1.19551820       9.23169653      -0.26596109      -0.57147296      -0.16375626
Li       3.20682948       4.38197325       3.59172578      -0.29865763      -0.30477992       0.60531726
Li       1.12539822       3.32732935       6.31911839       0.03022439      -0.41378646      -0.09271751
Li      10.39302751       8.23276341       7.36587913       0.03496689       0.48777527      -0.29037467
Cl       8.66918760       2.87348405       3.80048037      -0.27245445      -2.69177346      -0.45225296
Cl      11.39648828       9.11728715       5.30000621      -0.15807077       0.50848885      -0.82945232
Cl      11.05594917       1.83820332       7.22551046      -0.51274029       0.79311001      -1.05509694
Cl       9.54458709       6.25049115       6.51230200       1.30942303       0.60724683       0.11117795
Cl       0.01436438       2.95657909      10.44370503       0.40823653       0.98002413       0.09322849
Cl      11.11943970       7.26728206       3.04200690      -0.23974294      -1.44678391      -0.60700798
Cl       9.71234000       0.33784895       4.46977981       0.33304186      -1.94181248      -0.38656241
Cl       9.00091273       1.15458548       9.88482742       1.48983780      -0.29332666       0.10162399
Cl      10.53825709       9.28978606       0.90113815      -1.16894182       1.87386380      -0.12605609
Cl       9.51749013       4.93041658       0.52375959      -1.18427728      -0.18760252       0.47356161
Cl       1.56130414       1.05340742       1.44043654      -2.83078247      -1.53873857       1.67801459
Cl       7.25652601       4.53690166       6.84690000      -1.28141547      -1.37842367       0.59642339
Cl       5.70158817       8.91790963       5.46118599      -0.48527315      -0.07226829       0.40613471
Cl       3.15431333       2.68948215       0.36587327       3.05524680       2.81612922      -0.04083740
Cl       2.75698322       0.94401523       5.12743835      -2.29628784      -2.89899944      -1.58743158
Cl       0.44230094       3.92662257       3.92659958      -0.00250310      -0.50871969      -0.33580204
Cl       2.31423871       1.43754068       8.21434254       1.66734474      -0.01678119       0.89230746
Cl       1.83257249       5.80878088       8.17550127       0.71859031      -1.33186872      -0.74608256
Cl       3.69553999      10.19475317       1.47489955       0.44963638       1.16426833       0.52884000
Cl       1.79316813       8.32883235       0.59280397       1.56674931       0.50778730       0.80862307
Cl       1.16510020       8.79352563       7.66785276       0.18417465       0.96228857       1.21269315
Cl       2.29225547       6.07899201       4.89548242       1.22954225       0.46303343      -1.00586554
Cl       3.78300180       7.99792312       9.14332689       0.79953907       2.53406416      -0.46380288
Cl       0.26638791       6.62719402      10.75779071      -1.35177952      -1.32858595      -1.71786691
Cl       5.97932623       0.45574255       2.46950037       0.16066612      -0.34785138       1.34300139
Cl       7.55785613       5.17564519       3.87316411      -2.27801026       3.35273127      -0.76312536
Cl       4.29128234       3.07953814       5.13827484       1.93707764       2.30118781      -0.52389556
Cl       6.56710496       1.64728354      10.73048690      -2.78701731       0.50755478      -0.35147922
Cl       5.20843044       7.69598396       2.48881758       0.33389607       0.26711991       1.38336891
Cl       4.76657078       6.40253519       0.03719442      -0.01413317      -1.83525546      -0.83640065
Cl       7.09977046       7.77845845       8.17810984       1.14497192      -0.11398028       1.20076929
Cl       9.67378602      10.57706389       8.11705550      -0.47842017      -1.76980528      -0.72013621
64
Lattice="11.5075 0.0 0.0 0.0 11.5075 0.0 0.0 0.0 11.5075" Properties=species:S:1:pos:R:3:forces:R:3 energy=-211.73552438 stress="-0.026488638361736355 -0.002849840948072334 -0.009124361159820515 -0.002849840948072334 -0.02981818267710426 -0.0020320798204971537 -0.009124361159820515 -0.0020320798204971537 -0.03395136890890276" free_energy=-211.73552438 pbc="T T T" config_type=density 
Li       0.49561997      10.64090470       6.09188638      -0.32830245      -0.27620468      -1.52111241
Li       3.68147940       9.38412459       4.09269991      -1.53515287       0.34745961      -1.95104408
Li       2.12377817       9.09635654       9.63090293      -0.01039123      -0.56658130      -0.12389456
Li       9.06898020       3.94641657      10.54902882      -0.34628785      -1.12874531      -1.14082816
Li       6.44365915       1.85496297       1.37864453       0.20251351       0.01389838       1.37085231
Li       9.93602429       1.78935871       6.95471873       0.20998153       0.44847586       0.18661906
Li       6.44231277       3.03626538       4.88534802      -0.30566714      -0.00504493      -0.74066750
Li       4.47404695       6.26385446       9.35000485      -0.50054056       0.55344120       0.53428321
Li       9.44037325       0.09098911       2.04261577       0.02233934       1.81912218      -0.91970520
Li       4.20156086       3.13358431      10.96745302       0.20944805       0.34800271       0.01145603
Li       7.10285478       9.96396450       3.02961405       0.21349038       0.39509824       0.37043562
Li       4.33886835       9.52875085       0.48453940      -0.13563853      -0.68050127       0.29768478
Li       6.59666287       6.14315229       1.31762026       0.46850579       0.31717582      -0.96754977
Li      10.18096143       3.48920058       3.15639217      -0.28951441       0.27319784       0.36732322
Li       5.63569456       7.16969034       4.54623350       0.14916972      -0.80444517      -0.83444091
Li       7.46592791       0.76772286       9.74113327       0.43659513       0.62942373      -0.20407627
Li       2.25374388       7.45979441       6.73974712      -0.43897380       0.49957980       0.35354288
Li       5.87479739       9.35058023       7.21795279       0.15915910       0.03127316       0.39300184
Li      10.23253805       6.71634087       0.33895226      -0.66137264      -0.21738862       0.63182184
Li       2.19346759       6.28190973       0.84428111       0.19444355       0.18359197       0.62576076
Li       9.72073047       7.81328180       3.57228473       0.31690106       0.23492557       0.61855520
Li       1.06148402      10.27769347       2.06018773       0.12435277      -0.00210305       0.39654891
Li       3.52823402       1.15602044       2.65344538      -1.01917618       0.19378061       0.42023288
Li       0.68605529       2.96432049       0.88571386      -0.10012458      -0.37402882      -0.50368418
Li       0.83108661       4.80448482       8.98345646      -0.14201403      -0.01291852       0.41025932
Li      10.24338962       8.56797817       8.11549176       0.07445840       0.44971183      -0.09167480
Li       0.45828158       1.18757400       9.78229560       0.28247934       0.17170642      -0.67346427
Li      11.07019199       5.67593629       5.90698387       0.07957620       0.16315834       0.39454297
Li       3.63349312       4.37053699       2.87160457       0.63025941       0.55282389       0.85283595
Li       3.62320542       0.30237107       6.52150739      -0.69331542      -0.03831281      -0.36260939
Li       1.82742552       2.62948677       6.01552261      -0.08388914      -0.19606935       0.35365901
Li       8.15292566       5.93143731       6.86823987       0.32742764       0.59887584       0.14029484
Cl       9.85776179      10.32001806       3.42050081      -0.33081028      -2.08858436       1.32387296
Cl       8.56594134       4.73751117       0.79316710      -0.45289872      -0.61897946       1.50069303
Cl      10.88812032       5.86778932       3.85864887      -1.39694843       2.51988366      -3.02734566
Cl       8.19726406       1.93704597       2.85194976       0.65379920       0.18230580       0.25203393
Cl       8.49576861       7.25140509       1.90876053       3.74594919       0.71153929      -1.17157818
Cl      10.74497853       2.94628824       9.01893408      -0.50099469      -1.54260507      -1.43748566
Cl       9.91283668       8.03167113       6.06773214      -1.23917709       1.02312053      -2.33528577
Cl      10.69767119       5.13622303      10.44806201       1.58517688       2.17500414       1.57014555
Cl       7.26132456       7.89062371       7.80894347       0.46108388      -0.78500170       0.73610394
Cl       0.14566654       0.83261941       1.93312191      -0.03837385       1.19649839      -1.03033573
Cl       6.69552380       2.80777246      11.08977775      -0.70872827      -0.94207402      -1.91925078
Cl       4.87275882       8.86190273       5.48228808       3.74140409       3.57147685       1.41683251
Cl       2.78410154       3.44913147       1.16682598       0.24406304      -0.26060585       3.99702985
Cl       0.27681752       1.13892144       5.99091958      -2.62447687       0.42945666      -1.15899460
Cl       0.40846332       3.85379271       4.92603854       1.44906000      -1.81848682       0.99387258
Cl       2.09457214       2.68864682      10.38886743      -0.85486856      -0.54280147      -2.28028439
Cl       2.03841553       0.89675761       7.97905884       2.22694816       0.12056774       1.11986526
Cl       3.33628892      10.48261904       2.08763311      -0.30066086      -0.33942076      -1.72365979
Cl       1.94320248       8.79770239       0.46329540      -1.09964378      -0.36002730      -0.74981959
Cl       2.09616017      10.88535852       4.33670494      -0.85880572      -0.12272771       2.16019058
Cl       4.00044429       8.38441053       8.10090025      -0.32808898      -0.43262472       2.02036277
Cl       3.35871704       6.99211811       4.90919156      -2.27498378      -3.14380560      -1.32207535
Cl       1.10702610       9.65664521       7.70335065      -0.34915694      -1.89714749       1.45861769
Cl       5.45396812       0.31762656       2.66648338       3.13481571       0.92581128       0.32499137
Cl       5.91171345       4.85876569       2.71517161      -0.57988394      -1.83537447       2.79128498
Cl       3.86067419       2.24442280       5.24705176       1.00778638       0.29159154      -0.46436219
Cl       7.50748149       3.79703771       6.63243969       0.22619279       0.02645824       0.21862854
Cl       9.27465375       0.24798663       8.42197101      -1.03497366      -0.97329303       0.65856774
Cl       6.26176010       8.07735591       2.47372125      -4.09990136       1.72835914       0.63219450
Cl       4.32440342       5.67593629       0.36000408       1.95274149       0.90219197      -0.99833987
Cl       2.07507843       6.44424603      10.31663486      -0.44339573      -0.40255818      -2.99074684
Cl      11.11858102       6.56422323       7.93295980       1.57701062      -1.62052639       0.73931753
64
Lattice="11.5921 0.0 0.0 0.0 11.5921 0.0 0.0 0.0 11.5921" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.01817744 stress="-0.016583974279148338 -0.005287039499908799 -0.006761962120374988 -0.005287039499908799 -0.018064280207477114 -0.004944077086859961 -0.006761962120374988 -0.004944077086859961 -0.020205364127605176" free_energy=-218.01817744 pbc="T T T" config_type=density 
Li       7.54129862      11.27056992      10.37123162       0.07175039       0.45177883       0.42637748
Li      10.00320563       4.77920258      10.50485376       0.69431297      -0.22565748      -1.11237379
Li      10.42039372       2.46895501       8.23893438       0.25431316      -0.57241811      -0.25358430
Li       1.51031152       7.19293283      11.43156101       0.66506164       0.04687838      -0.44806843
Li       2.57198560       8.97999415       8.09995669      -0.18725416       0.08373206      -0.36106363
Li       5.72096797       1.85860776       1.84310912       0.45744262       0.82726920       1.23711261
Li       7.05779212       4.52596156       0.33194442      -0.33680379      -0.08043331       0.44066987
Li       4.67628792       2.61358964       5.15950460       0.58722582       0.29178905      -0.27322100
Li      10.22145010       0.91192964       4.65796081       0.23432434       0.06503619       0.25497153
Li       6.65567377       5.41931834       4.24307955      -0.00687672       0.41720483       0.10090653
Li       4.08582112       5.02457256       9.29031466      -0.70575400       0.63744854      -0.53702462
Li       9.65187226       4.06562768       3.10902440      -0.29473527       0.59478560      -0.22965533
Li       7.47731022      11.45826921       3.13350692       0.28372947      -0.99160928      -0.23414615
Li       5.04489351       9.06341090       2.81990584      -0.34167936      -0.51552974      -0.30109040
Li       9.81547157       1.73578946       0.66372191      -0.47814092       0.27001435      -1.65379407
Li       6.62558068       9.03225133       6.16415714      -0.31525307       0.15459637      -0.54392137
Li       0.39557346       6.43778866       8.68097593       0.60107958      -0.15397209      -0.42067392
Li       3.73264461       6.76984436       5.61550304      -0.00345287       0.27958614       0.04253842
Li       0.19196170      11.31560523      10.22688679       0.77296847      -0.27325882       0.08916578
Li       4.69855634       7.84706344      11.32524986      -0.54578313      -0.81527430      -0.36704584
Li       3.94731871       5.11460840       2.13463885       0.26040479      -0.31437230       0.24266164
Li       0.90891454       6.92440183       3.86107348      -0.27668114      -0.70094150       0.29398139
Li       1.99234582      10.24870312       3.83389001      -0.11875597      -0.10415200       0.27649580
Li       3.32052227      11.09731440       0.05450281      -0.25918410       0.06337425       0.04916515
Li       1.98060302       2.55191967      10.64883923      -0.36465130       0.05771686      -0.28919952
Li       1.46787285       2.23110830       2.53267678       0.62755077      -0.15433621       0.23923535
Li       7.96743580       7.62200282       1.15239964      -0.42576225      -0.32326673       0.82906481
Li       9.25923624       5.98418978       6.58383752      -0.44219137       0.31275976       0.44138698
Li       8.94738557       8.27002439       4.51625898      -0.26307328      -0.16471061      -1.36752965
Li      10.32252162      10.05662203       7.35422531       0.77491038       0.06687980       0.47663406
Li       2.14250988       0.38000063       7.19426592      -0.31004211      -0.42033018      -0.06962288
Li       1.44345988       4.21903753       5.58112087      -0.43986105       0.05467990       1.13328375
Cl       7.51148373       1.98922754       0.18835424       1.43504410       0.05129169       0.16802953
Cl       9.89914335       0.38397788       9.58011716      -2.20670473      -0.68082561      -0.39641104
Cl       9.25682509       5.13356149       0.73265897      -0.76626867      -0.20974063      -0.38507772
Cl      11.07956689       2.93007716      10.26157035       0.08779339      -2.70847292       2.27421070
Cl       9.09916093       6.53968322       3.07342507      -0.17438414       1.74664075      -0.14832053
Cl      10.25886939       4.96159268       5.01362962       1.41753806      -1.41483944       0.68643276
Cl      10.41474836       4.65226909       8.28769075      -1.02525859       2.11272561      -1.30017994
Cl       6.06585613       9.29644688       0.42844402       1.76959096       1.06115159      -0.52851431
Cl      10.71979448       2.14074788       2.46216204       0.06198565      -0.04909819       1.37211086
Cl       9.45884061       8.27266739       6.42220887       1.25552305      -3.38799426       3.75935185
Cl       1.48513348      11.43394434       1.81727033      -0.14942166       0.49267517       0.18225839
Cl       3.95131798       8.99482044       5.95689039       1.53776850       0.33909777       0.24325532
Cl       3.91468695       2.54461665       3.06461507      -4.66082846      -3.09791145      -1.23054699
Cl       1.98769739       4.46185725       3.57341552      -1.10234916       1.60738287      -0.90638223
Cl       2.28906880       5.90776307       7.11569466      -1.95670497      -0.86768115      -1.24013897
Cl       0.57145691       1.79634659       6.62985816      -0.38108477       0.68303577      -0.57069272
Cl       2.33405774       0.32763796       9.41931155       0.27990319       0.51294014       0.68076876
Cl       1.29604315       4.88405312      10.43269293       1.27429350       1.35289677       0.95785484
Cl       2.97562252       8.96360292       0.51884153      -0.46093184      -0.06274304      -0.82008607
Cl       2.59381352       8.11918798       3.17640928      -0.18728257      -0.56724667       0.94904647
Cl       6.95168963       6.89115569       6.16363549      -0.39739023      -0.85299658       0.08539579
Cl       1.23503393       9.99398991       6.54407662      -0.24016311       0.67458927      -1.49040134
Cl       2.89932332       7.23446732       9.38514963       0.96236004       1.19857675       1.29415121
Cl       6.03804668       3.43167892       3.47132390       5.52874213       2.13303518      -0.04991194
Cl       4.71732395       4.84301709       5.88026661       0.34887349      -1.28333976       0.15561026
Cl       9.56329703      10.47117871       5.39063949       0.17729891       4.27966185      -2.62210457
Cl       4.83697761       1.08245523       0.25467844      -1.80018142      -0.98582125      -1.71605831
Cl       4.72519499       5.38374219      11.35319841      -0.31984684      -1.43013329      -1.49294213
Cl       5.92192861       6.42994080       1.89207415       0.62993481       0.55862020       1.80431894
Cl       7.11687706       9.01743663       3.53480224      -0.19512782       1.15769241      -0.10412672
Cl       0.10049783       9.43006902       9.09950870      -0.25221081      -1.56257018       1.33905341
Cl       6.73024575       0.68004127       4.82943115      -0.65964852       0.33413315       0.93841015
64
Lattice="11.4945 0.0 0.0 0.0 11.4945 0.0 0.0 0.0 11.4945" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.81466817 stress="-0.01589851610572197 -0.0009590121151766591 -0.0032880120029273622 -0.0009590121151766591 -0.03208326608481741 -0.004848560451544444 -0.0032880120029273622 -0.004848560451544444 -0.02351314935627352" free_energy=-215.81466817 pbc="T T T" config_type=density 
Li       4.24189580       1.05009499       6.77181226      -0.38093475       0.12343608      -1.07417799
Li       6.00372678       5.54971702       1.95596159      -0.11982818       0.02371475      -0.46134741
Li       6.77106511       3.08922734       5.05124653       0.16076117       0.40747416      -0.22796855
Li       4.18590609       2.19594376      10.53607710       0.12371147       0.08204513       0.39740629
Li       7.45644767       5.42759945       7.99109135       0.55465257       1.15437896       0.01427442
Li       5.92147214      10.07031996       3.38496933      -0.06108349      -0.84929992       0.82965364
Li       4.67398555       8.63131201       0.52588372      -0.28289559       0.47494303      -0.08894172
Li       7.04163415       7.00277125       5.08717834      -0.20376098       0.11468423       0.18264433
Li       4.03830521       6.00140489       9.50900904      -0.58380049       0.12280127      -0.97621470
Li       5.45931277       9.28745255       7.82872004      -0.18268628      -0.75333912      -0.48009758
Li       9.42486930       4.61374287       3.47495977      -0.61935079      -0.91056157       0.13958208
Li       9.90635091       1.33592527       2.65783875       0.46831130       0.37575282      -0.53974388
Li       9.44923764       1.11508374       6.29485947      -0.22373956       1.16820722      -0.88340222
Li       9.02495265       2.92093636      10.28753152      -0.24181284       1.32000088       0.68316830
Li      10.25433541       9.18153073       3.73065492       0.05901521      -1.08823213       0.15855584
Li      10.05833119       7.54179433       0.53593796       0.48011735      -0.78566902       0.59696109
Li      10.14153988       8.78899356       7.26160440       0.42289492      -1.27730599      -0.33838309
Li      11.35192222       6.33295225       5.34013780       0.14987696       0.21344697      -0.44694567
Li       6.76517993       2.00414654       1.79796969      -0.49790516       0.00930728      -0.43587242
Li       1.64923086       8.58601218       9.77145146       0.29465469       0.21974242      -0.87710823
Li       8.27220084      10.66772360       9.44885832       0.49310561       0.28960969      -0.53117638
Li       1.14733616      10.90837246       5.65071919       0.08941534       0.40138476       0.01943886
Li       3.48078748       0.44836481       2.54314663      -1.68401234      -0.17027827       0.50707426
Li       0.95867234       3.14875735       1.15580646       0.12471047       0.04899774      -0.34570685
Li       3.29731227       4.10131806       3.41090092       0.07312941       0.24038421       1.72551214
Li       1.37975380       3.30633545       5.85830986      -0.02168821      -0.06258415       0.10086505
Li       0.21459657       0.88559490       9.02268824       0.25300306       0.34674381      -0.63193201
Li       1.28108501      10.33748662       0.96112181      -0.02770076      -0.34855460       0.32697796
Li       3.18430984       8.28935063       3.43061399      -0.50649702      -1.22515265       1.22429017
Li       1.84784433       6.23275469       0.93449250       0.46675334       0.14020506       0.15963887
Li       0.29141661       5.22767561       9.04642438      -0.92050293      -0.98659699       0.27425755
Li       2.53641085       7.97729795       6.90067710      -0.03936562      -0.42961766      -0.48918336
Cl       9.75356602      10.78153065       7.01690948      -1.25644234      -0.59359918       1.35021990
Cl      10.02720409      11.22800002       3.87610632      -0.12544219       0.70632732       1.14843660
Cl       0.86814510       6.70835112      10.54897392      -4.22582945      -1.15327144       2.27387917
Cl       1.96528363       6.18698359       8.40062889       1.40237240      -2.15587547      -4.00637677
Cl       9.50293994       6.24899642       6.83304346       0.89585585      -0.23794024      -0.10397588
Cl      10.10680350       6.41545977       2.84576233       0.53736408       2.62743978       0.41291118
Cl       3.57913442       4.03745462       1.41744427      -0.51355784      -0.20588663      -1.48773976
Cl      10.86333700       9.41238627       1.71172646      -0.05710106      -0.23788663      -1.89826333
Cl       3.25078253      11.45083469       4.87000125      -0.62696355      -0.41466117       0.28389900
Cl       9.55038924       1.01317810       9.77584236      -0.45444335      -1.78795341       0.11451131
Cl       0.12616133       4.20059606       4.14839953       0.52659811      -1.18524374      -0.39019481
Cl      11.22332176       2.22916287       6.81847993      -0.67360863       0.48102460       0.13289850
Cl       9.12574792       5.00508462       0.56054079      -0.53530251      -0.89654086      -1.42105379
Cl       5.43680654       0.43042075       2.59889496       3.46170108       1.81409081      -1.20886908
Cl       7.23562683       3.55186947       7.14169377      -0.17208470      -0.99243201       0.40491681
Cl       8.10690993       2.12991936       3.44848793       0.51080647       0.51073852       0.31139936
Cl       7.08173846       5.06863771       3.82900186       0.08650020       0.50888088       0.41332179
Cl       4.55197143       6.68551155      11.35538207       1.20354777      -2.49470014      -1.33036298
Cl       3.76823044       8.14492224       8.76909658       1.83270696       1.93638503       0.07367446
Cl       0.17528193       8.90544434       5.37487418      -0.94088485      -1.89618036      -2.49020952
Cl       7.27522538       7.92633133       7.79431700       0.15436776       0.43444558       1.35235755
Cl       5.38904690       8.70765847       5.58337291      -0.10306628       0.41074000      -0.79836223
Cl       0.40143967       2.83656673      10.34993516       0.42919757       1.03367266       0.26493024
Cl       4.05801828       9.69373715       2.30272767      -2.32835114       3.66724643      -0.66884483
Cl       2.34639527       6.32892917       4.91697928       0.50945463       0.14881063      -0.33017503
Cl       5.03234957       7.46816056       2.36507384       2.34199866      -3.03200413       2.30144821
Cl       1.22762409       9.67735748       7.55655327       0.59049960       0.44418258       3.58797287
Cl       4.81244829       2.57694046       4.41809499      -1.15921614       1.04586985       0.85451257
Cl       2.30924505       8.42325006       0.35077766       0.34107089       2.39918590       1.17632094
Cl       6.55616394       2.03118160      10.92906256      -0.62129508       0.07757377      -0.15104809
Cl       2.27241667       1.12023673       7.68894692       1.33683725       0.58293368       1.18835213
Cl       1.58079261       0.99696166       1.36819033       0.01616193       0.06455898       0.12741473
64
Lattice="11.5845 0.0 0.0 0.0 11.5845 0.0 0.0 0.0 11.5845" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.51393876 stress="-0.023185008168108204 0.0068478385201512495 0.0033855932545636108 0.0068478385201512495 -0.023860279106377034 -0.007492422473376289 0.0033855932545636108 -0.007492422473376289 -0.01585465621593971" free_energy=-217.51393876 pbc="T T T" config_type=density 
Li       7.87640581      11.57034374      10.56447319      -0.16283113      -0.18483061       0.37790632
Li       2.96875981       8.46319549       7.68362815      -0.43271611       0.28930284       0.64214710
Li      10.57118062       2.71647257       7.88552281       0.05566577      -0.21862822       0.26911646
Li       0.56579393       6.54818496       8.38261371      -0.05403841       0.47704594       0.43714076
Li       0.27745920      10.54294919      10.07115884      -0.21041697       0.30398251      -0.66092157
Li       5.61389504       2.05028273       1.52704562       0.14629566      -0.36282144       0.63949898
Li      10.45124629       0.31468599       4.85083561      -0.09944833       0.50907849      -0.56857074
Li       9.62340633       5.06616829      10.52629068       0.80113222       0.12675677      -0.73440138
Li       5.71494663       4.91490948       0.86624373       0.18928320      -0.83945909      -0.21281349
Li       6.65771641       5.68716700       4.78180357       0.45594980       0.12594532      -0.16185672
Li       9.60392120       4.82962439       3.15544403      -0.21604781      -0.70189268      -0.92539683
Li       7.49461544      11.08451298       2.88602332      -0.90340054      -0.05870156       0.34782673
Li       4.76565478       8.01285964       2.80065714       0.77206391       0.13298958       0.53156416
Li       9.83833356       2.45072414       0.70309458      -0.13939992      -0.27073693       0.30691639
Li       6.43997415       9.20624849       6.56602509       0.68297485       0.21911710      -0.76053073
Li       5.57773981       2.59989775       5.18295164      -0.50701938       1.29250476      -0.22623631
Li       1.86545204       7.47247746       0.05556262       0.08496772      -0.56473909      -0.36516611
Li       3.74611452       6.43287285       5.53448329      -0.07011164       0.36735147      -0.26007494
Li       9.27120278       8.10383271       4.10499074      -0.09406719       0.13922958       0.77071055
Li       3.24609275       4.82946220       2.25002268       0.17541137      -0.77093087      -0.19231928
Li       1.28914633       2.07615092       3.28861944      -0.61211896       0.06597141      -0.09845297
Li       8.97189405       5.83856483       6.97813210       0.36370236       0.54150779      -0.33488573
Li       1.91543915       0.44807572       7.08552041      -0.17305414       0.09990172       0.51754239
Li       0.97865624       4.14555966       5.90172352      -0.46926103       0.38916254       0.05846102
Li      10.83660468       9.76515428       7.11912705       0.47598090       0.18915510       0.25756020
Li       0.60458463       6.90561313       3.79746861       0.78244731      -0.44937772       0.94870976
Li       3.85373452       5.25984955       8.72327910      -0.24810885       0.57491113       0.34437958
Li       5.74790453       8.05113482      10.84740143      -1.28027759      -0.99285940      -0.05320252
Li       8.43175516       7.38569797       1.14986936       0.13969972       0.06300885      -0.24700789
Li       3.36960668      11.04154607       0.46720057       0.41513363       0.54282171      -0.12751121
Li       2.01488050      10.11775170       3.58058360       0.05698826       0.24444465      -0.16123890
Li       1.27909098       3.01564229      11.02286027      -0.13957092       0.19600833      -0.42292184
Cl      10.10864628       5.11483478       5.10091021      -0.41006373      -0.04217794      -0.26478704
Cl      10.97916354       4.86844405       7.82344148      -0.23974635       0.38815223      -0.06525124
Cl      10.37111630       7.83879094       6.50134883      -0.37844191      -0.11082295      -0.96051900
Cl       8.06028658       5.14385395       0.24131209       0.62138894      -1.10691754      -0.03565589
Cl       9.29441812      10.30957944       3.67817143       1.49698807      -0.12777901       0.42698531
Cl      10.39913921       2.22093400       3.45417353       0.76885933       0.35799522      -0.37864132
Cl      10.60279472       7.13592457       2.42726553      -0.95496782       0.17367168      -0.81871728
Cl       6.95491676       9.60175490      11.20379858       1.37303384       0.41471613       0.16155593
Cl       8.07055045       1.18136414       1.69363073       0.12071340       0.37817961      -1.86427725
Cl      10.56317573       3.16946128      10.03479510      -1.40853970      -2.46383190       1.35586980
Cl       1.65424343       1.47350206       0.95768019      -1.20811935      -1.36806174      -0.91401721
Cl       4.89029241       7.93145535       7.04941152      -3.99068651       2.79028722       0.89330157
Cl       3.38636946       2.43193408       2.86171904       1.69512081       0.19017775       0.64287558
Cl       2.04385334       4.93412816       4.03572702      -2.20820731       0.72294161      -0.07988891
Cl       0.46221807       2.00795297       6.49926362      -0.26061221       1.66630223      -0.80469053
Cl       0.95332442       0.95458365       9.12621118       1.03589505      -0.85721076       0.86841117
Cl       0.14926512       5.46497629      10.99557877       1.37517690       1.80103535       0.98670488
Cl       3.70207025       4.96809392      11.17249726       0.68677346      -2.17455298       1.69163669
Cl       3.60677615       8.69957721       1.13578493      -0.96005403       1.14249137      -1.06384335
Cl       1.08363151      11.31000527       5.14515141       0.35466357      -1.62329722      -0.88429190
Cl       6.92996375       6.92066139       6.65851574       5.23653402      -3.30292600      -0.45840015
Cl       2.44836091       6.41979395       7.24610475      -1.24838407      -2.48728231      -1.51351116
Cl       0.94269796       8.83227766       8.58248109      -0.12028712       1.15044643       0.36521036
Cl       3.15092608       7.18537880       9.79939806       0.86854521       2.01298240       0.52351358
Cl       6.48201430       3.70505905       3.30674919       3.65542322      -0.50175348      -3.45471136
Cl       9.82224269      10.39436639       8.92906616      -1.11236730       0.79953156       0.69652246
Cl       6.20159989       0.91503417       4.39007370       0.28883160      -2.32006032       0.27169260
Cl       5.28462879       0.66792288      11.28798314      -0.48658842       0.36612761      -0.14000608
Cl       6.27700340       6.85350604       1.31888374      -1.38161835       1.76405267       1.31320772
Cl       6.57620787       8.93083859       4.15862698      -0.36129322      -0.37903797      -0.41628595
Cl       2.80064555       8.20966871       4.03961941      -0.31839078      -0.61593205       0.70406701
Cl       4.77111108       4.72366097       4.65994622      -2.31538698       1.88733313       3.27996969
64
Lattice="11.5118 0.0 0.0 0.0 11.5118 0.0 0.0 0.0 11.5118" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.78817417 stress="-0.015174675466092035 0.0020058753687188994 -0.006198743865729987 0.0020058753687188994 -0.03529305843432265 0.0006516291814810634 -0.006198743865729987 0.0006516291814810634 -0.020110787251352708" free_energy=-216.78817417 pbc="T T T" config_type=density 
Li       7.00920118       0.40109759      10.02711164       0.75958329       0.75610192       0.52561899
Li       6.12386318       2.69662764       4.69473076       0.90025184       1.20408670       0.22544126
Li       4.20060977       3.65493894      10.66950462      -0.36377422      -0.18743696       0.70921161
Li       6.90757501       9.59584508       3.16620547      -0.02604789      -0.27562707      -0.27542571
Li       4.65670729       9.55304421       0.81659989       0.42608149      -0.17401726       0.55545267
Li       6.61244699       6.20497532       1.52580851      -0.51231752       0.49231072       0.02204452
Li       5.71118817       6.97369879       4.93474028       0.01357821       1.09488204      -1.01602232
Li       6.14384766       9.10916071       7.52708252      -0.54945584      -0.70345673       0.01347576
Li       3.87397396       5.15269319       2.79128917      -0.07463233      -0.21122722       0.14346300
Li       4.94927969       6.55163015       9.22087122      -0.44154210       0.26658855      -0.15360071
Li       9.53038898       0.18778854       2.37373316       0.05402868      -0.94418294      -0.16166591
Li       9.56308250       2.43804959       7.15337496       0.17342249      -0.37862484       0.09598674
Li      11.50899112       5.49961280       5.74155630      -0.58328327       0.28266439      -0.36260341
Li       7.92360648       5.62252429       7.04123852       0.13313592       0.50195241      -0.35013342
Li       8.90815317       3.86728560      10.07342361      -0.04958654      -0.09033439       0.38436240
Li       9.99751480       6.58166444       0.53289504      -1.07282690       0.35222469       0.87138176
Li       9.61555328       7.46025653       3.74176094      -0.03240168       0.64683166      -0.39641469
Li      10.19105119       3.71189933       3.27130821       0.60910024       1.55752232       1.10590190
Li       7.22937586       2.66555729       1.44233645       0.46655750      -0.27104035       0.40368107
Li      10.22959269       8.27985064       8.12837837      -0.28660106      -0.06380518      -0.35079616
Li       3.44564291       9.52680881       4.04691573       0.19066555      -0.00966552       0.76750303
Li       0.02553766       0.70764071       9.42241981       0.21798591       0.63013413       0.53819126
Li       2.18436405       9.14693093       9.51708134      -0.43159692       0.08123363      -0.15983348
Li       3.77675681       1.00616931       2.83770475      -0.24600407      -0.86823459       0.52564072
Li       0.19590091      10.94365813       5.78729268       0.30672348      -0.52718873      -0.35109457
Li       0.87192791       2.57192031       1.00589303       0.98295413       0.46406155      -0.53443712
Li       2.49145283       7.13648715       6.84560699      -0.15863721       0.09717292       0.96892489
Li       0.60011589       4.93094139       8.96250038      -0.18380602       0.26978152       0.61815733
Li       1.77411803       2.62702730       5.39960979       0.26300702      -1.07112546       0.03214307
Li       0.95931974      10.85353225       2.32092853       1.16525758      -3.81934198       0.96573369
Li       3.48739620       0.04209877       6.62673313      -0.33953928      -0.14113804      -0.18069899
Li       2.16756833       6.79193898       0.33662345       0.96720072      -0.23179771       0.10537963
Cl       0.70810578       3.82099666       4.06725708       1.54651134      -1.88754262       0.60362456
Cl      11.20573577       1.46988418       5.93684247      -1.27565118       1.40989873      -0.70167288
Cl       2.71864971       6.12417399       9.09441409      -0.54795915      -1.95608670      -0.20804055
Cl       9.41829859       2.28908689       2.17553450      -2.80873540       0.43857715      -0.59899229
Cl      10.79797631       2.97852860       9.11161272       0.58614489       1.29965556       0.19654879
Cl       0.12978403       0.88575243       1.95350641      -0.35397023       2.24857350      -0.90071524
Cl       9.26566363       0.61641890       9.02306396      -1.96715635      -1.35931317       0.16909296
Cl      10.19684162       9.45488309       2.32024934       1.28588459       1.00694206       0.89349230
Cl       7.99439253       7.95794617       1.57029010      -0.22794629      -0.42747150      -0.40776241
Cl      11.31849385       6.14408941       3.60229548      -0.94566632       2.34285132      -1.38083950
Cl       9.59942525       7.21598764       5.97164264      -2.07228539       2.44257970      -3.43059850
Cl       7.83001554       3.57478228       6.16623811       0.18522208      -0.36057151      -0.04470038
Cl       2.29842296       0.08495870       4.66882921      -1.15721907      -0.81875972       0.48880335
Cl       5.76830972       6.81483595       7.00474611       2.40861694      -1.02256059       2.42967086
Cl       2.15560757       1.58385100      10.61397169       0.02685868       0.33892366      -0.18834284
Cl       0.73560632       8.39894021       7.60280714       0.61362284      -0.78867553      -0.29780461
Cl       0.89751288      11.22094286       7.79416780       1.70226498      -0.08479215       1.17443686
Cl       0.35018780       5.97932101      11.36988253      -0.61471738      -0.94737526      -0.44521714
Cl       6.91985810       0.08603436       1.43888291      -0.40974975      -0.35110977       0.05419253
Cl       3.68420194       7.89405568       5.34833623      -1.31455474      -0.04986586      -1.10570870
Cl       4.39997113       1.82966247       5.25699010      -0.12047664      -0.18607666       0.91529597
Cl       5.03309710       5.04077547       4.75873637      -0.16510176      -1.85068716      -1.10653004
Cl       6.52974622       3.00500574      11.00307053      -1.20209921      -1.26028047      -2.38741260
Cl      10.16449346       6.07172623       7.99950377       0.62277386      -3.09926359       4.29460756
Cl       2.79385630       8.78357247       0.17354154      -0.98075360      -1.36467178      -3.64113771
Cl       5.08713349       7.60729675       2.35533730       0.25459607       1.90637570       1.81782413
Cl       2.97024010      10.18367212       2.18617140       1.27491679       2.44596791       1.16969384
Cl       4.32197868       5.74891234       0.61475199      -0.28076511      -1.66836638      -1.98349806
Cl       6.08068241       9.76780835       5.52941685       0.69344412       1.01995623      -0.99726170
Cl       3.93335182       8.54769569       8.36026056       1.25600231       2.38236485       0.63148668
Cl       8.08153686       4.84098818       0.85362069       1.65244862       0.58898424       0.01834824
Cl       3.36020233       2.84662639       1.98278092       0.05801823       0.88251562      -0.31585233
64
Lattice="11.561 0.0 0.0 0.0 11.561 0.0 0.0 0.0 11.561" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.57573048 stress="-0.02156512298422374 0.003011223280483909 0.010096186893504321 0.003011223280483909 -0.024583336199434324 0.004548328833035484 0.010096186893504321 0.004548328833035484 -0.0204557288719114" free_energy=-220.57573048 pbc="T T T" config_type=density 
Li       4.51353001       8.89919536       1.24635673      -0.17648354      -0.15518833       0.58742083
Li       5.56667931       5.38403863       0.71957745      -0.09276963       0.02665525       0.35015774
Li       6.19298492       3.18361037       3.98572412      -0.83232843      -0.99305581       0.40965938
Li       3.95042838       0.66774371      10.96063727       0.43159745      -0.09047193      -0.66103433
Li       6.97582647      11.19100176       2.21834780       0.74364048      -0.30031075      -0.13150286
Li       7.02278725       6.95656585       3.35416981      -0.00444251      -0.77848758      -0.40640611
Li       4.12427114       7.04884575       6.19320458      -0.44537143       0.09090657      -0.72102269
Li       6.17980538       9.62918002       5.12155768      -0.47561545       0.04919138      -0.20093039
Li       7.07926274       7.90620951      10.52475289      -0.64616509       0.42378307       0.20856518
Li       7.71228530       3.02128237       0.27664086       0.07393403      -0.49959892       0.73557953
Li       7.56521781      11.34728335      10.50741139       0.44568021      -0.21418906       0.12629481
Li       9.67586334       4.51748387       2.70248780       0.18078759       0.06453311       0.62071804
Li       8.58347601       5.41166942       6.56447453       0.50322791       0.67465992      -0.23574997
Li       9.75721810       2.36763499       8.52801789       0.45613613      -0.64430883      -0.34981139
Li       9.51018265       5.28847540      10.55484617       0.32998820       0.39770293       0.79003776
Li       9.50121131       7.56614269       1.33600072      -0.93011831       0.45012305       0.84661721
Li      10.23275671       8.41200326       4.77314383      -0.27951407       0.07193760       0.15651004
Li       9.85900114      11.50964604       4.73958224       0.42548718      -0.62282206      -0.15523482
Li      10.52159673       9.01752219       8.13092067       0.33730061       0.38472022      -0.67121162
Li      10.18370339       1.45246623       2.00492018       0.32635076       0.16143715       0.18671370
Li       0.41998916       5.92809929       8.49935817       0.65463490       0.94517616       0.21477348
Li      11.48566852      11.02498580      10.67602857       0.16372501      -0.54031133      -0.29733019
Li       2.95893390       4.50765702       3.65105629       0.21654854      -0.69097642      -0.20917071
Li       3.01392958       1.07289201       3.00760571       0.44089617       0.34815630       0.81557422
Li       2.83873418       8.98826130       8.60364996      -0.57774310      -0.51142553      -0.67416266
Li       3.53580468       5.08231965       9.23081108      -0.14953766       0.33355306      -0.21163355
Li       1.37559715       7.48581687       0.20702976       0.58405009      -0.03941862      -0.50506568
Li       0.78504277       6.02219427       5.33868482      -0.44296195      -0.44087177       0.23381539
Li       2.36703382       8.64012491       4.15841077       0.01668965       0.41106359       0.20705928
Li      11.52757703       2.65232462       5.27893758       0.62929163       0.71887997      -0.79298398
Li       0.57969744       3.43509681      10.79230911      -0.42964511      -0.18668856       0.20741977
Li       0.77421474       0.67199122       7.74080628      -0.50966775      -0.22153232      -0.61136871
Cl       1.88815408      10.89891309       8.98172934       1.75457881       0.59817158       0.60141412
Cl       8.49130016       0.82408311       0.72456371       1.73321113      -0.32072590       0.70925581
Cl      10.24639869       4.43725053       5.67989618      -2.83567471      -0.84482828       0.62715084
Cl      10.47402322       1.37755096       6.34096572      -1.85176543      -0.56151860       2.99724003
Cl      11.52129953       1.42467359       9.78007419       0.77133105       2.59490651       0.61606930
Cl      10.43466958       4.50091696       8.74042815      -1.00859454      -0.64332398       0.58770961
Cl       9.31039701       6.63197921       3.32792634       0.98743284      -0.40659440      -0.67971780
Cl      10.96091473       6.93449590       0.10195681      -1.00353046      -0.65688738      -0.02312715
Cl       8.78786293       9.87192634       3.07928391       0.83973074       0.92810974       0.18814247
Cl       0.17312713       0.90595464       3.84587070       0.35919327      -0.17846265      -2.20495454
Cl      10.86077335       6.95078535       6.75230610      -0.66511112       1.68973772       0.25031688
Cl       0.60280788       4.19231919       4.01277686       2.12689723      -0.12181092      -2.81906468
Cl       7.49373615       3.79183459       2.51708404       5.07865914      -2.13347328      -1.16313977
Cl       9.98345531       3.72223736       0.66169268       0.92886086      -0.36428922      -0.82845418
Cl       0.58558893       8.35253347       9.41731314       0.35061166      -0.23266730       0.40627812
Cl       5.41727650       4.87351643       2.89962597      -4.52065667       3.44833761       0.01147411
Cl       5.62947866       0.99319279       3.01730539      -0.39965639      -0.30857734       0.41581054
Cl       2.53359315       6.52014966       7.67463112       0.76670391      -0.47144453      -0.14140629
Cl       4.04881249       2.89307088       4.78949108      -0.81575827      -0.24341211       1.02653151
Cl       6.08910933       1.29961825      11.08177343      -1.66052596       1.12803488      -1.36408661
Cl       3.58026828       9.27004912       5.98530312       0.86832419       0.33620909       0.55806297
Cl       9.62363074      11.13402915       9.17027769      -1.76122134      -1.73794764      -0.25779574
Cl       0.21024372      10.14920536       6.01355820      -0.51783925      -0.98723919      -0.22387234
Cl       5.61622975       8.55605332       3.26145059      -1.58624647       0.48789759      -0.80891423
Cl       6.50844993       9.73959913       0.57835405      -0.01069343      -0.77534520      -1.92374663
Cl       7.65324327       6.23444266       0.12905544       1.05644423      -0.32393943       0.36335059
Cl       2.52803231       6.47229868       4.21416948       0.88351134       0.34231048       1.78548154
Cl       7.65578669       7.97910161       5.13358112       0.15379152      -0.21197237       3.53294085
Cl       2.47279385       7.99105569       2.00283920       0.20836557       1.45097250      -1.99132094
Cl       5.07257373       6.33538176      10.26125458      -0.32417806       0.43671448      -0.52167421
Cl       1.81303070       5.26210476      10.55950525       0.15594936      -0.56209420       0.36526281
Cl       2.62024284       0.95262871       0.91664741      -1.02974726       0.02233025       0.04648632
64
Lattice="11.5207 0.0 0.0 0.0 11.5207 0.0 0.0 0.0 11.5207" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.21711728 stress="-0.012651041649752177 0.0005901862552006601 -0.004148501403472732 0.0005901862552006601 -0.025538279749438224 -0.0031690454498485713 -0.004148501403472732 -0.0031690454498485713 -0.01815803786069077" free_energy=-223.21711728 pbc="T T T" config_type=density 
Li       4.26951382       2.96646504      10.65782261      -0.07756516       0.29347181      -0.07617171
Li       4.78598680       6.21625866      10.11341193       0.61641639       0.88587508       0.76365492
Li       6.57653399       3.45125610       1.94394531       0.59845161      -0.00837212      -0.27922222
Li       4.40773918       1.20042238       3.26495486      -0.24668944       0.24162902       0.32940752
Li       8.95924517       4.58529620      10.72210812       0.20819421      -0.41847645      -0.62551309
Li       6.19506057       3.03387266       5.42051239      -0.54575641      -0.01306492      -0.11683974
Li       7.45204959       5.51010888       7.40078247      -0.22685047       0.01586283      -0.89044205
Li       1.85285114       9.55660498       9.42524596       0.26171405      -0.46219191      -0.35452098
Li      10.21237475       7.33952691       8.29477727       1.67873984       0.35307081      -0.98196417
Li       9.27741234       2.04856479       6.86388329       0.22979509       0.07033065       0.33312702
Li       3.98749860       9.71577497       0.77746638       0.16296485      -0.49257377      -0.09030655
Li       6.69045067       6.87625652       1.35326750      -0.25210893       1.28961243       0.57466703
Li       6.04418549       6.24030236       4.21988264       0.15625106       0.63913573       0.29559124
Li       5.69863361       8.76190710       7.20077160       0.63529802      -0.20661593      -1.04650215
Li       9.71686944       0.81089369       1.65266746       1.72602163       0.55627435       0.42789567
Li       6.63775499       9.83654647       3.00702943      -0.27593410       0.06061039       0.03003987
Li       0.34502308      10.69806442       6.27617782       0.04976571      -0.53227218       0.23509630
Li       7.64532085       0.65262231      10.19007067      -0.04153540       0.44083425       0.98006132
Li       2.99189123       6.99342204       7.22656645      -0.44773846      -0.50378530       0.37768666
Li       9.72935788       8.64860101       4.18392654       0.18495621      -0.57274576       0.78184087
Li       0.62705096       2.72621237       0.54745330       0.78655620      -0.56415140      -0.34862229
Li       3.26202860       4.60180537       2.40052218      -0.01183788       0.05614775       0.18760316
Li       1.55521386       1.84021293       4.13636909      -0.14365183       0.08617249       0.10991403
Li       3.47830670       0.40745375       6.68694838      -0.12180243      -0.48786657      -0.32908166
Li       1.27831383       4.47363758       8.72441874      -0.47460311       0.74366168      -0.48151238
Li      10.21825030       6.83133731       1.53045587      -0.34710433       0.38419354      -1.51860696
Li       0.40586044       1.54106644       8.65676919      -1.73667194       0.07623713      -0.74831971
Li       9.86957632       4.02575885       3.54941246       0.36520979       0.50494232       0.27325484
Li       1.39246093      10.47104902       2.63116659      -0.43295006      -0.25852209      -0.51039848
Li       1.44676951       6.18023343       0.16872641       0.20589948      -0.12616786      -0.44087569
Li       3.54036871       8.89785136       4.66104481       0.21716641       0.73827718      -0.17478445
Li       0.48854335       5.91942783       4.52936321      -0.29095996       0.78278174       0.42282866
Cl      11.45716334       1.28632072       6.22034851      -0.88330501       1.19559817      -0.62010158
Cl       8.09210512      11.36364982       1.25035309      -2.31262661      -1.52631023      -0.93335425
Cl      10.16025510       6.28504876       3.37861809      -1.11605415      -3.49166682       3.09397738
Cl       9.04566194       0.46494319       8.67281752       0.30159011      -0.73765892      -0.63423358
Cl      11.14301689       7.70958332       6.00851740       0.14281595       0.76538117       0.48103224
Cl      11.17407670       4.46652931       1.07123040       0.02438717       1.71506641      -1.57179081
Cl       8.90355410       2.69539449       2.22257344      -0.79887051      -0.18975026       0.72408250
Cl      11.24992899       8.50754156       2.64447300       2.78373731       2.74268012      -1.57125849
Cl       8.18984674       8.27296859       2.77367765      -1.36948412       0.26197967      -0.87481102
Cl       7.71949112       5.17211458       0.96961783       0.15490588       0.88430970       0.05915194
Cl       9.98070499       3.53570283       8.39079079       1.07240772       0.44864490       0.90462894
Cl       8.06822271       3.98497557       5.93645542       0.01136509      -0.71544992      -0.62554197
Cl       2.88303213       2.45559112       2.23415175       1.87478049      -0.75508587      -1.55350341
Cl       7.24047193       7.32699239       5.86483123       0.19651567      -0.04866833       0.61461254
Cl       0.49529678       0.98923067       1.92256290      -1.20797958      -1.09919447      -0.23313843
Cl       1.20808364       4.13802807       3.65993054      -0.22850543       0.43003386       1.25872208
Cl       1.78095045       2.69123552       9.64542958       1.13206087      -0.18618134       1.73052453
Cl       3.48559931       5.40388802       8.86763256       0.62313919      -1.02809303      -3.14403091
Cl       1.84529356      10.95013733       4.65831440       0.29987906      -0.55384217       0.85990811
Cl       3.01924137       8.32574491      10.83966534      -0.13024425       0.04251433       1.05841156
Cl       1.67297845      11.41388007       8.24660923       0.61970515      -1.06932890       0.15736808
Cl       4.14520546       6.96644056       5.40025900      -0.66927625      -0.86489483      -0.56267330
Cl       3.68642815       8.90957943       7.89078089      -0.11021083       0.85852552       0.36853772
Cl       3.62627857       5.00430406       0.00583973      -0.04037811      -0.30874174       2.65909945
Cl       5.21266744       4.23473282       3.67481528       0.79276890       0.33499706      -0.83918897
Cl       3.96164615       2.19365649       5.38331205       0.05352649      -0.63637388       0.89821575
Cl       7.15105978       2.93870016      10.70216579      -1.30171388      -0.99289726      -0.55371174
Cl       5.01636624       8.18327994       2.18677863       0.46743931      -2.22798658      -0.58072263
Cl       4.11473321      10.64694707       2.71319397      -0.69522375       1.77740111      -0.84253473
Cl       5.43972892      10.15656848       5.30832381       0.51846314       0.60509572       0.63594781
Cl       0.96753143       6.68903363       8.86940675      -1.54106809       0.76617389       0.50083641
Cl       8.52067516       6.47122327       8.86848509      -1.07418756       0.03140798       2.02655396
64
Lattice="11.526 0.0 0.0 0.0 11.526 0.0 0.0 0.0 11.526" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.59547955 stress="-0.02433565860581056 0.005297168439371101 -0.0019342647681705582 0.005297168439371101 -0.031491279066852805 -0.0012198335655554213 -0.0019342647681705582 -0.0012198335655554213 -0.03031402983882562" free_energy=-220.59547955 pbc="T T T" config_type=density 
Li       3.57930709       2.54450281      10.93245710       1.97882285       0.62701404      -0.14785668
Li       5.66015350       9.24260719       6.93356903       0.41862250      -0.77941630      -0.31796113
Li       9.14626136       4.31820437      10.51516980       0.17029787       0.93208950      -0.13723983
Li       6.79143040       3.19519162       1.67645670      -0.90945077       0.95162022      -1.40627971
Li       3.89037078       0.61645313       2.82933332       0.19120274       0.97091976       0.16354716
Li       5.80647607       3.14262153       4.94695920       0.09412635      -0.13426344      -0.06375363
Li       7.84928668       5.49798268       7.47086505      -1.56778479       0.67443345      -0.78114744
Li       9.36266201       2.56013207       7.13151656      -0.31870880       0.40774088       0.27481316
Li      10.78193907       7.35060277       8.16349697       0.81283356       0.49924982       0.37368768
Li       7.16506874       1.09077569       9.71081636       0.84251620       0.16724835       0.55466147
Li       6.96195757      10.14558861       3.34221727      -0.51292486       0.41373040      -0.44298899
Li       9.52009564       1.68231191       1.56887302      -0.79410011      -0.25499515      -0.31469249
Li       4.02031490       9.10132148       0.70625104      -1.77211120       0.47036377      -1.05450293
Li       7.34055209       7.49855050       1.07263722       0.06128572       0.48133945       0.57097028
Li       6.15437686       6.70779775       4.39313490       2.26308023      -0.06133270      -0.70683440
Li       9.21776866       4.15055870       3.74050973      -0.01063160       0.47240132       0.32921336
Li       2.28604379       8.79014254       9.09124776       0.13779722       1.19645379      -0.23190249
Li       0.85435092       9.82069372       6.17470872       0.08530156       0.13333072       0.41306404
Li       4.56057310       6.23747932      10.38995134      -0.08768315      -0.20613962       0.46711243
Li       1.55278272       4.58921521       8.56288439      -0.56851227       0.03740466       0.68074748
Li       2.92922917       6.51187880       6.51646615       0.06721160      -0.05136189       0.74387985
Li       0.86244448       6.37207994       4.20084664      -0.28014949       0.39704846       0.04589077
Li       3.07246277       8.87954972       4.24031167       0.41209405       0.59739992       0.01505437
Li       9.51415975       8.30621190       5.14186386       0.30123704      -0.50112127      -0.12761789
Li       1.30247258       6.16111957       0.11965371       0.99566911      -0.20626988      -1.00026954
Li       0.28538261      11.04897344       3.25994468       0.39123367      -1.29244874       0.38373421
Li       0.96210519       2.67491950       0.60387711       0.42531077       0.15398652      -0.44164630
Li      10.42615450       7.30497133       1.79342255      -0.79727785       1.47286503       0.93976933
Li       0.42487141       1.06878062       8.60248773      -0.26243581       0.31249189       0.24674068
Li       3.64584669       4.01288063       2.83964909      -0.44316990       0.21068387      -0.00814398
Li       0.94416382       2.32048348       4.91092892       0.71612144       0.12173915      -0.61585712
Li       3.61682422       0.14088921       6.47937548      -0.48464888      -0.85503536      -0.01898025
Cl       7.69813472       5.53085483       0.46847312       0.08499503       0.80128005       0.13290143
Cl       0.05797578       7.73470672       6.25724641      -0.19656638       0.39285964      -1.13014104
Cl      11.23008148       8.95532164       3.49084504       0.30786038       0.39249211      -0.97467837
Cl      10.32582067       6.12158539       3.71530237      -1.78877457      -0.93713061       2.27273453
Cl       8.06849968       0.05567058       1.13789974      -0.35899175      -1.05214889      -0.12438125
Cl       8.01399322       8.31100672       3.51192610       0.10321696      -0.41519117      -0.92960019
Cl       7.98032578       3.94031294       6.06342519      -0.57065937      -0.60664567      -0.64210044
Cl      11.08086588       1.63482479       6.37777379       0.82240177      -0.10563553      -0.52253193
Cl      11.13460009       3.90415588       9.82765543       1.46832809      -1.19172213       0.19851826
Cl       7.96664441       2.47080557       3.09222986       1.13179762      -0.66405708       1.50995591
Cl       9.21410339       1.15141282       8.75731649      -0.50975624      -0.87948023       0.31615822
Cl       3.36400141       2.37367597       1.45490393       0.97094543      -2.37568029       2.67747693
Cl       7.64322485       7.68804947       6.42260993      -0.66492924       0.07591075       0.85536582
Cl      11.48225964       1.29949887       2.40186856       0.23257356       1.83982786      -0.58269085
Cl      11.29567709       5.60425240       1.31700686       0.90967458      -1.91715864      -1.91658862
Cl       2.11180525       4.60814090       4.36867673      -0.32139116      -0.38484448       0.53092831
Cl       2.29451540       1.35379786      10.21748780      -1.89431887      -1.37992204      -0.88165524
Cl       2.77419294       4.32130487      11.36903893      -1.24427474       3.36084211      -0.06164012
Cl       1.95478655      11.03064710       4.75157045      -1.45676690      -0.48684671       0.91022586
Cl       3.57288711       8.65375538       7.30604325       0.69161958       0.41853661       0.71919513
Cl       2.84680674       7.64457340      10.82695963       1.17036606       1.15467919       2.29318406
Cl       1.79920860      10.93272220       8.06928344      -0.53912424      -0.34236148      -0.31950676
Cl       1.52728721       6.95758922       8.57499822      -3.18260032      -1.21726707      -0.42029267
Cl       5.63042795       4.69412486       3.27830560       0.42678358      -0.01384169      -0.13242709
Cl       3.77594065       1.55443094       4.86269261       1.39285571       2.56294629       0.22520113
Cl       7.70981056       2.87605973      11.02269416      -1.20228940      -1.43351454      -0.15317554
Cl       3.60610504       5.28284989       8.74940965       2.38724180      -1.42661649      -1.91907002
Cl       5.56020003       8.52594356       1.69701908       1.77963075      -0.99993747       0.38608032
Cl       3.29795743      10.27424182       2.38868282      -0.93141132      -0.95934401      -1.51964629
Cl       5.07133627      10.17463413       5.06651840       1.24302699       0.95520325      -0.21177735
Cl       4.37732123       7.14153265       4.99521856      -2.08727334      -0.33032390      -0.38613647
Cl       9.46895478       5.86323010       8.45766354       0.27063492      -0.19407834       1.41490284
64
Lattice="11.5296 0.0 0.0 0.0 11.5296 0.0 0.0 0.0 11.5296" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.72445245 stress="-0.014376631865030397 0.0017120567135915107 0.0002455966932057233 0.0017120567135915107 -0.02469599307362456 -0.003647804495537924 0.0002455966932057233 -0.003647804495537924 -0.02961335751255022" free_energy=-220.72445245 pbc="T T T" config_type=density 
Li       7.24877482       5.73629883       7.33552353       0.43744107       0.32955210       0.66347717
Li       1.62646914       6.38773276      11.18849678       0.33299334      -0.42069731       0.24924342
Li       6.50465443       3.64307689       1.21975097       0.13180498       0.39248081       0.54565488
Li       6.17332832       3.12178908       4.97029526      -0.10160089       0.32160691      -0.59253241
Li       4.16065216       2.25213442      10.71581777       0.37313759       0.35232321       0.36710284
Li       7.60287189       0.79942096       9.83696248       0.55401241       0.45305029       0.62814252
Li       7.24824445      10.39958390       2.97637777      -0.48029372       0.48694920      -0.67195380
Li       3.56741965       9.15436404       0.72468840       0.69863684       0.72201483       0.81786298
Li       7.49812548       7.64527776       0.64368143      -0.61380782      -0.14787105       0.03843544
Li       6.28020771       6.76342477       4.03052910       0.48675590       0.06759007      -0.50960222
Li       5.95983471       9.30641641       6.65040011      -0.32781047      -0.51476761      -0.82229774
Li       4.52477999       5.66103360      10.50492986       1.13445586       1.56151214      -0.89735444
Li       9.24220807       1.71990502       2.02975149      -0.31998898       0.09557314       0.20058779
Li       9.42803063       2.53812614       6.83007739       0.77883286      -0.09270858       0.44155567
Li       9.08654694       4.70228971       4.14316176       0.03635308      -0.59123093      -0.63063908
Li       9.47791921       4.18789661      10.40979913       0.24714683       0.06219570      -0.54475983
Li      10.33996434       7.74463985       1.90010114       0.49867735      -0.26914085       0.19809934
Li       9.44172780       8.23575469       5.45855076      -0.09585344      -0.21206576       0.17044672
Li       2.39565488       8.94428320       8.75623543       0.44266394      -0.59112777      -0.07098691
Li       0.84337064       9.55082087       6.05277482       0.42048499       0.35624851      -0.00367998
Li      11.04818155       7.17980475       8.40666948      -0.33022670      -0.81390423       0.96628962
Li       3.28603977       5.93871249       6.95617663      -0.01056800       0.46718768       0.01046955
Li       3.38994452       3.98888418       2.87351068       0.11859284       0.11922771      -0.39613736
Li       0.48539962       6.41693724       4.28810036      -0.75805946       1.17175973       0.11747186
Li       3.29323424       9.03577058       4.23498349      -0.40278494       0.95883169      -0.24400222
Li       0.72673144       2.72407553       0.74402469       0.86583861      -0.44956288       0.77440547
Li       1.46860586       4.25803116       8.88683121      -0.11969710       0.27018925      -0.20524873
Li       0.28579227       0.78786023       9.17985599       0.61636431       0.35507797       0.08594858
Li       3.02609340       0.29837452       2.78191954       0.82058654       0.90501716      -0.55775344
Li       1.39327145       2.60217307       5.13400405       0.11129288      -0.65866855       0.14371547
Li       0.04165506      10.81029132       3.56027130       0.82425086       0.48720279      -0.06011812
Li       3.57365717       0.19099128       6.17503470      -0.46603140      -0.05312872      -0.17386258
Cl       3.48410676       8.51974027       6.68215262      -0.66976874       0.41358252       3.13635233
Cl       1.23081939       4.54737801       4.02218167       0.18562518      -0.67868153      -0.08833128
Cl       7.83368295       2.99702728       3.32437569       1.49559690      -1.52089073      -0.39615309
Cl      11.19282038       1.06296917       2.63963274      -0.14823384       1.50351578      -0.87613089
Cl      11.44670218       5.96516139       0.93863857      -0.33241525       0.30042924       0.06567315
Cl       9.56642042       1.95011654       9.04512108      -2.09049089      -0.99003928       0.19946457
Cl       7.78868292       5.46054539      11.51628320      -0.09760879       0.62084322       0.11601376
Cl       9.68035593       5.34055684       8.27005525       0.69371059       0.43275078       1.63936294
Cl      11.12361972       8.84195800       3.83988716       0.80485455       0.88841660      -0.31257856
Cl       7.73444769       7.90329868       7.32935519      -0.39577118       0.43951131       0.49870026
Cl       7.63659597       8.83251526       4.34487211      -0.51852033       0.46827296       0.15926657
Cl       0.18908544       1.39270650       7.01324815      -0.61210860       1.46259011      -1.36092630
Cl       8.14851021       0.10050802       1.17048499       0.16457844      -0.57191723      -0.26367659
Cl       2.46227291       1.05430121      10.53682073      -0.40572538      -2.07412578      -1.56694246
Cl       4.39042556       7.39567345       4.65648261       1.15614978      -3.14724047      -2.33417987
Cl       3.17914884       7.96303354      10.63147875       1.77198731       0.68267689       1.11291999
Cl       1.84769911      10.67824281       7.74235699      -0.53372346       0.69604261       0.56855730
Cl       1.68083121       6.62888587       8.99839162      -2.30845464      -0.90346947      -1.85582558
Cl       5.76350868       4.75798921       2.98763066      -1.21714974       1.50469146      -0.11173050
Cl       2.25859099       9.92527922       2.33693462      -0.15639820      -1.41786897      -0.95783550
Cl       3.92782342       2.73870660       4.60462247       0.49589885      -0.36856276       1.60136862
Cl       9.49384159       6.71156463       3.72273490      -0.51238728      -1.96424305      -0.55167521
Cl       8.30952108       4.37430718       6.08662572      -1.38607062      -1.10358165      -0.58069350
Cl       6.65875907       2.45990934      11.01611773      -0.67554356      -0.51841590      -1.06898278
Cl       0.38358633       3.06272294      10.21946849      -0.98178318       0.93431869       0.45866271
Cl       3.63045198       4.41544479       8.73646216       1.71889476      -0.26769559      -3.79625237
Cl       6.01034589       9.27360317       1.27143817      -0.24872964      -0.71251642      -0.33286179
Cl       3.37102445       4.34980678      11.27546456      -1.46344654       0.21406674       3.57872860
Cl       4.87352733      10.58140570       4.66793150       1.03265189       0.93541177       0.34343873
Cl      11.44706294       7.56872122       6.44858599       0.26670580      -0.05116321      -0.57448212
Cl       1.95728796       0.29314354       4.56916895      -1.02584597      -0.05168579       1.50391077
Cl       3.09431405       2.15624273       1.46794867       0.08992161      -0.27573949       2.00885767
64
Lattice="11.5318 0.0 0.0 0.0 11.5318 0.0 0.0 0.0 11.5318" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.07497064 stress="-0.0168023514202561 0.0018452756528951095 -0.00042193790074308396 0.0018452756528951095 -0.018034391867216542 0.006585941969825554 -0.00042193790074308396 0.006585941969825554 -0.025852765501794547" free_energy=-221.07497064 pbc="T T T" config_type=density 
Li       6.29028554       2.98663241       4.75362706      -1.08336851       0.15208803       0.69406412
Li       1.69270679       6.47224581      11.23805046       0.23758884      -0.57258095      -0.31725713
Li       6.42395064       4.05566487       0.96926739      -0.57453459      -1.23018281       0.45262272
Li       4.13935114       2.07573553      10.70616925      -0.34889558       0.15178711       0.26163493
Li       4.86576229       5.52876006      10.45843159      -0.58090930      -0.82771593      -0.06142377
Li       6.91685436      10.67475662       2.59498942      -0.30848464      -0.54640729       0.25149198
Li       7.22573363       7.48194716       0.22829850      -0.65134682       1.12532134       0.11657676
Li       6.58537277       6.60830952       3.53762182      -0.48272964       0.28044626       0.17286642
Li       2.74145481       8.95466180       8.90083136      -0.07089142      -0.51992492       0.13194580
Li       7.10433837       5.89477940       7.65337890       0.74410516       0.36397284      -0.10395324
Li       8.95166354       1.93289113       2.35593521       0.44301292      -0.73825057      -0.30618579
Li       9.71563375       2.41151848       6.87116537       0.27047487       0.43248156      -0.18975771
Li       9.18643945       4.97217774       4.17268958      -0.50239427      -1.91428737       0.59528511
Li       9.48950669       3.99411965      10.50487015      -0.14573848      -0.31674195       0.06053408
Li       8.06389945       0.61932916      10.24096490      -0.40400663       0.13990207      -0.20332561
Li      10.53945401       7.98623277       1.95193013       0.25817290       0.18253798       0.64275851
Li       9.41456152       8.20366486       5.59998046      -0.40558766       0.24069078       0.01528622
Li       5.89917301       9.27600694       6.34673370      -0.84835783      -0.29200137       0.38156884
Li       0.80321755       9.49378499       6.15298793       0.71249299       0.46430514       0.37067109
Li      11.03950746       6.76894750       8.50023969       0.36756484       0.40745551       0.51670459
Li       0.21823009       6.40544210       4.51173603       0.52570672      -0.41552366      -0.00091419
Li       3.28695508       4.16044280       2.74852381       0.09406997      -0.12018129      -0.10236384
Li       3.29234043       8.94796183       4.27882826       0.35526707       0.12788658       0.37777578
Li       3.63463885       5.89724720       6.95493237      -0.20032334       0.71544301      -0.26084213
Li       0.75271864       2.73292128       0.84836800       1.06124709      -0.35450103       0.93125165
Li       2.72290015       0.49773786       2.40444949      -0.45314818      -0.71076195       0.64765732
Li       3.35164848       9.36571282       0.77420584       0.57774632      -0.40056030      -0.54330428
Li       1.29244955       3.93588406       8.89264378       0.44422485       0.36956796      -0.18667540
Li       0.37201356       0.75702231       9.46922225      -0.25455574       0.18762272      -0.78603450
Li       1.73709269       2.63447431       5.15073613      -0.26872499      -0.28612397      -0.09009191
Li       0.02836488      10.70786442       3.43604972       0.24506483      -0.44290843      -0.01293472
Li       3.38530980       0.43711519       6.13582861      -0.20937892      -0.06168921       0.05594067
Cl       3.59071423       8.70407579       6.93164966      -0.03313216      -1.56438304       0.48727894
Cl       7.72917742       5.48915986       0.19353359       0.36373991      -0.19724464      -0.42274665
Cl       0.42656705       1.86724059       6.84828628      -0.30490008       0.90807199       0.28735056
Cl       7.76347299       3.41291693       3.37387026       3.10804066      -1.34051301      -1.04594897
Cl       8.15952113       4.54773831       6.21577858      -0.24706568      -0.44097077      -0.22263623
Cl       8.06907722       0.22409516       0.80744972       0.45208852      -0.63531995       1.41670614
Cl       8.94279558       1.91149964       8.78796964       0.37565276      -0.40009454      -0.07996525
Cl       1.09448544       4.13273189       3.54803503      -0.39385763       0.72947296       0.07314913
Cl       9.68305642       5.29791649       8.88168857      -0.92605534       0.09864031      -0.38085354
Cl      11.06924797       6.75807301       0.35915560       0.10688058      -0.03149649      -0.26758896
Cl       9.66796129       6.83528994       3.78564777      -1.53518271       0.33451464      -1.15169112
Cl      11.09602481       1.08165286       2.80432619      -0.79450046       1.31952307      -0.98310232
Cl       7.38302738       9.48736177       4.85323875       2.01943115       1.63222642      -4.42905055
Cl       4.77333491      10.55615206       5.13539884      -0.38158883       2.02512673      -1.32024862
Cl       4.52965644       7.02938167       4.40783451      -0.36585340       0.00377708       0.43771190
Cl       1.70779039      11.33483686       4.64467462       0.14410999       1.23237480       1.85652169
Cl       0.25909533       8.58976106       4.02659320      -0.14994251       0.57653614      -0.64474776
Cl       3.81636849       7.35738065      10.66312104       0.02505565       1.36351884       0.35463432
Cl       1.74194758      10.78563488       8.17047634      -0.84030637      -0.23610214      -0.33580173
Cl       1.63519771       6.49552852       8.88963398      -1.36949355       0.55350427      -0.05463451
Cl       2.17241814       9.79511092       2.47103410       0.97930313      -0.27300279      -2.62114095
Cl       5.51246563       4.61832445       2.96822766      -1.62404113       0.95030317      -0.93721329
Cl      11.38209417       7.44644075       6.53082736      -0.35560858      -0.18117686       0.54512161
Cl       3.97859785       2.62711702       5.14764561       0.18814939      -0.08308379       0.53161422
Cl       6.43690085       2.16411525      10.60049183      -0.99324026       0.98684996       0.24753318
Cl       0.06534783       3.13428558      10.48545060      -1.78296089       0.06003627      -0.29291284
Cl       3.61014531       4.56277577       8.72283803       2.15913584      -0.96752529      -1.88815126
Cl       5.50073779       8.72181170       1.28821738       1.34859053       0.38488769       0.50437136
Cl       2.83878321       4.05646056      11.32207115      -0.21425029       1.77138258       0.96016858
Cl       2.08369247       0.93338159      10.65436840       0.96185367      -0.69021806       1.04701184
Cl       7.58795900       8.17256360       6.94989297       0.55477377      -2.81507546       3.86901973
Cl       3.62341841       2.16024056       1.62903973       0.98181152      -0.66570597       0.94866892
64
Lattice="11.5383 0.0 0.0 0.0 11.5383 0.0 0.0 0.0 11.5383" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.06054762 stress="-0.010499715993608886 -0.0008508282372260167 -0.0032517492780531282 -0.0008508282372260167 -0.01584226404285327 0.00039138894043210345 -0.0032517492780531282 0.00039138894043210345 -0.021551085493158137" free_energy=-220.06054762 pbc="T T T" config_type=density 
Li       5.53747247       3.22940863       4.49205634      -0.04437946       0.41749402      -0.19119864
Li       1.42396468       6.15757533      11.05166066      -0.06094266       0.27059393      -0.08980329
Li       6.24907405       2.97196608       1.32067382       0.35967390       0.00356463      -0.02697946
Li       4.10463484       1.74451019      10.67666591      -0.05487582       0.11508897       0.39064973
Li       4.27755934       5.11150151       9.92949175      -0.08223434       0.20021725       0.30690562
Li       5.72218912      10.46538810       2.57419473       0.39830358       0.59468806       0.40948580
Li       6.89571500       6.85132716       3.01085016       0.30199193       0.06237185      -0.64426578
Li       4.65338485       6.29837721       6.42286392      -0.42873951      -0.21137627       0.14828286
Li       5.45684283       9.65057643       5.90749422       1.13791235      -1.38693513       0.58497338
Li       7.00059814       7.82655581      10.67986202      -0.72524526      -0.17136493       0.13658993
Li       9.28843534       1.61951579       2.42680449      -0.11171101       0.32299064      -0.32367295
Li      10.66278533       2.04399831       7.61173574      -0.47679242       0.23602119       0.49435542
Li       9.33230396       4.79787898       4.14207663      -0.90854927      -1.08435371       0.09747076
Li       7.87794740       5.56122983       7.52290237       0.50095003       0.22800950      -0.23146592
Li       8.89225628       4.15730718      10.97416944      -0.42425779      -0.01201182       0.24153558
Li       8.06394480       0.81359322      10.74146500      -1.23293356      -0.23005035       1.33265746
Li      10.35954727       7.98667280       2.20892677       0.44066581      -0.13434978      -0.46224855
Li       8.82904947       8.71041267       5.30487188      -0.23075484      -0.55872958       0.48628749
Li       3.34067246       8.50221558       8.87011428      -0.58201646       0.63865515      -1.09475133
Li       1.01259659       9.64576496       6.52338559       0.54716495       0.32996984       0.33875251
Li      11.08813323       6.76082073       8.39684783       0.54136548      -0.84178806       0.44412686
Li       1.64130010       3.63683755       9.13018756      -0.00160255       1.53176289       0.41683452
Li       0.61835711       6.62281113       5.14912791      -0.23539565      -0.21355473      -0.17526349
Li       3.41632909       4.78914449       2.18601170       0.61965686      -0.52701719       0.10889097
Li       0.85538264       0.27080159       9.95965287      -0.13480127       0.72415129       0.28048678
Li       2.82473738       8.67199013       3.85176146       0.69145689       0.31276816       0.29786862
Li       3.55279257       8.40625154       0.78698591       0.05850236       1.35904392       1.42916752
Li       0.65435084       3.46775530       1.09119434       0.15163596       0.28180612       0.20043267
Li       2.86567526       0.83873749       2.62612862      -0.09991421      -0.07325915      -0.13408157
Li       3.05866487       0.61246681       6.69177554       0.02415213       0.41074753      -0.16110836
Li       0.29811390      11.22412363       3.61083022       0.56332948       0.14026207       0.03464738
Li       1.20013320       2.97921214       4.94282311      -0.38031084      -0.16910072      -0.33196772
Cl       3.25630441       3.24473150       4.99679927       1.65588671      -1.52206406       2.31513957
Cl       8.34847927       3.62081085       2.28220651       1.31582898      -0.16131037      -0.28062214
Cl       1.08109371       0.55174651       5.70461629      -1.10515042      -0.58725320      -1.61285406
Cl       8.15128973       4.07645831       5.91647101      -0.98526400      -0.42354749      -0.73507952
Cl       2.10028213       1.36837315       0.47803292       0.52414397      -1.48303590      -1.12691509
Cl       0.09749863       2.09469760       2.60564814      -0.84776577      -1.29096251       1.83425834
Cl      10.24814499       4.26126726       8.07225237       0.27020298       0.79118395       0.29047386
Cl      10.85831337       3.41274068      11.03090326      -0.24669043      -0.31868044      -0.16618312
Cl      10.47383413       6.37127619       3.56880773      -0.39360691       0.58317257       0.07084520
Cl      11.05897594       6.47371321       0.57859151      -0.27862030       0.96051584      -0.56595565
Cl       9.57661593       1.00175982       9.51076685       1.51711711      -0.81206325      -1.45455641
Cl       3.82373493       4.37935023       7.93372354       0.70735541      -0.14466290      -0.11839510
Cl       0.78448902       8.86316822       4.47537196      -1.63368966      -0.35099069       1.02284060
Cl       5.70517013       7.03460151       4.65579636      -1.52824811      -0.01595688       1.73152309
Cl       3.68164076       7.46434550      10.62844735       1.35060117       0.05200438       1.15594767
Cl       2.25651072      10.86659787       8.45239320       0.71896171      -1.94618910       0.75846180
Cl       1.99028752       6.61542661       8.93656335      -3.40458201      -0.39680765      -2.51143395
Cl       5.89084445       4.90789667       2.68677392      -1.18265297       0.48772295      -0.23757467
Cl       7.36743532       0.56259020       1.59437383       0.47837903      -0.32876508       0.03170323
Cl       4.45424533       2.40000101       2.57791006       0.11944134      -1.20134461      -1.19084855
Cl      10.15526167       7.21037598       6.54650835       0.73768690       0.54113674      -0.10647246
Cl       7.42373068       8.09532897       7.42332684      -0.90067395       0.13986226       0.70921125
Cl       6.47044787       2.29096408      10.41461958      -0.94367215       0.38709293      -0.06698560
Cl       6.03214247       5.74887721      11.18521648       1.56025982      -0.10257753      -0.50459269
Cl       1.23800190       1.90585024       8.20531205      -0.03497028       0.35811514       0.19199306
Cl       5.73207744       9.20504805       0.82918147       0.04855022      -0.37708909      -0.53139921
Cl       2.29472557       4.14785731      11.32904139       1.76536145       1.16950148      -0.07917176
Cl       7.28664414       9.22184782       3.76353962       1.61419226       0.69677096      -0.14748776
Cl       4.28001700      10.58184416       4.57825898      -0.18408566       2.56690257      -2.51237211
Cl       3.38704489       8.76016582       6.30692709      -0.55909648      -2.01192569       1.95021753
Cl       1.80876698       9.95860289       2.15653135       0.84717894       0.31286875      -1.51439060
Cl       1.73044500       4.92833100       3.63179531      -1.12368371       1.86206032      -0.91291953
64
Lattice="11.5572 0.0 0.0 0.0 11.5572 0.0 0.0 0.0 11.5572" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.35765599 stress="-0.012587714517972326 0.006163048980873009 0.003050170540848277 0.006163048980873009 -0.036701776624751006 0.0002419034611842465 0.003050170540848277 0.0002419034611842465 -0.026393902152238923" free_energy=-215.35765599 pbc="T T T" config_type=density 
Li       4.07352006       9.25116877       1.35141807       0.21846635       0.19682049      -0.16232796
Li       7.74501135      11.36010351      10.13589554      -0.37422762      -0.06636137       0.52768979
Li       9.60361714       2.11306066       8.34361653       0.80217113      -0.05040408      -0.15068549
Li       7.25858036       3.00482577       0.64715813       0.84058604      -0.64182006       0.61969819
Li       5.21225097       5.03197021       0.40475510      -0.12319906       0.83132062       0.29690665
Li       6.04498190       2.96285002       4.19009753       0.09093303       0.17538005      -0.49259478
Li       8.59010849       5.68970202       6.03866011      -0.54664166       0.32818859      -0.55736897
Li       4.02736060       1.21377182      10.48858662      -0.20821614      -0.54141219       0.27570580
Li       7.20047076      11.24517871       2.03873631       0.69460258      -0.98369169       0.24329686
Li      10.73319475       9.21775690       7.72880816       0.28997295       0.02323509       0.29476357
Li       6.51251687       7.00806649       3.08512520       0.14524055      -0.30018904       0.09629984
Li       4.39329622       7.03999904       6.25801577       0.35254815       0.84037805      -0.81722636
Li       6.09839928      10.01848595       5.32071529       0.07318463      -0.15899877      -0.52148057
Li       6.54142143       7.86170440      10.19762255       0.68493485       0.46517126       0.70308095
Li      10.10463332       4.97282046       2.78025782       0.29626919       0.11766462       0.58181543
Li      10.10044961       1.73670044       1.85681442       0.12042006      -1.94466453       0.90808896
Li       9.31805029       5.30339105      10.75701414       1.13351784      -0.16679087       0.37869306
Li       0.07457491      11.18877958      10.83727890      -0.52350570       0.23002459       0.30685493
Li       0.27221020       5.85545538       8.45914230       0.26695640       0.33533797      -0.03328800
Li       3.69430521       4.91404054       9.53264438      -0.67261528       0.37047108      -0.51916136
Li       0.56429416       5.67789056       5.44084083      -0.32788397       0.20375534      -0.36184272
Li       9.39882356       8.01596991       1.42445957      -0.23815382      -1.82955817      -1.75182941
Li       3.14938323       4.31225714       3.70936424      -0.59351464       0.58098818       0.03231787
Li       2.42490859       8.80402070       3.95315182       0.34913922      -0.34556059       0.48888480
Li       3.16278958       1.00502336       2.88333648       0.04831195      -0.22798411      -0.34205787
Li       0.79253037       3.14836620      11.51887089      -0.23969628       0.30855846      -0.32537998
Li       1.23909364       7.09340486       0.11294066       0.22412936       0.25920102       1.09417496
Li       1.02443483       0.62992865       7.68445162      -0.41371246      -0.30381440       0.26339153
Li       0.17072296       2.74482344       5.31899327      -0.39433721       0.52893898       0.23027469
Li       2.86880908       8.73070182       8.78205046      -0.17122569       0.36450438      -0.48680335
Li       9.91845838       8.11008018       5.02384550      -0.18857063       1.07398476       0.63709204
Li      10.57619019      11.18825950       4.74738572      -0.67331429      -0.42540632      -1.20259308
Cl       7.80041657       4.27053564       3.14274940       0.07199036      -0.04876607       1.30186930
Cl      11.42050144       1.33400137       3.81545934       0.48560010      -0.58091406      -2.89178238
Cl      10.65629315       4.23893826       9.25368824      -1.28076529       0.12174064       0.21235146
Cl      10.38452559       6.81849374       6.71189013       0.86512213       4.24725064       2.25068625
Cl       9.57572962       9.27175214       2.81893977      -0.80794423       7.85235136       1.04526676
Cl      10.90149070       6.52893965       0.82952843      -0.21731047      -0.30112104      -1.59795251
Cl      10.22473574       4.44551165       6.05275990       0.30468441      -4.29029422      -0.78742681
Cl      10.32645066       0.93790723       6.36894178      -3.10948619       3.85821161       2.48687550
Cl       9.96519570       7.03442847       3.39764344       1.14039016      -5.60995272       0.93658812
Cl       8.27012429       0.71584950       0.53726187       1.99096181       1.23842055       0.35871396
Cl       9.74111315       3.54462791       1.24474511       0.55069725       0.80942732      -2.54542544
Cl       2.40989579       0.49129888       0.46543156       0.73248892       0.53698820       1.30075898
Cl       4.96078941       6.53686789      10.25692254      -0.61032963      -0.15961726       0.24059226
Cl       0.82129046       4.30486053       3.71805525       0.25986993       0.07897879      -0.76913536
Cl       3.34196085       2.31311579       4.65562155       0.38732365      -0.09462168       0.52633946
Cl       0.39740357       1.61069229       9.75820625      -0.63825761       1.71700366       0.24592683
Cl       1.86695009       5.15997776      10.83984460       1.35585701      -4.31451260       1.65286303
Cl       2.42275895       7.84817092       1.93972578       0.08279433       0.23590258      -0.52903995
Cl       2.49737223       6.69301722       5.15869491      -0.28710503       0.60882758      -2.02920377
Cl       0.27350461      10.55081058       6.25498778       3.01846074      -4.24907499      -0.05483071
Cl       1.53569762      10.74764125       9.44665881       2.20104096      -2.48116540      -1.62405084
Cl       1.53228825       7.31862001       9.65575167      -1.52770548       3.38340385      -1.91353007
Cl       3.25841385       6.15230206       7.68287984       0.51764920      -1.73632666       1.59656770
Cl       5.10560113       4.81852028       2.63603552      -1.36021838       0.39845550      -0.50105029
Cl       6.16551194       0.98145707       3.18981031      -0.63245127       1.08451698       0.90417974
Cl       6.24972926       1.58509309      10.06496901      -0.92288031       1.01190777      -0.49956274
Cl       4.91799310       9.66080217       3.37740678       0.22098894      -0.49784513      -1.16671867
Cl       7.59524160       7.53914295       5.10114005      -1.60462901       0.48004002       0.74438405
Cl       4.15391194       9.44953655       6.04135294      -0.49514990      -0.18899275       2.34539285
Cl       6.28382300      10.19205198       0.44853493      -1.19361036      -1.91302665      -1.65495419
Cl       7.64446371       6.32280543       0.09014616      -0.28335150       0.27221552       0.37310845
Cl       9.66597979      10.84438658       9.27809705      -0.15729507      -0.71667866      -0.21219102
64
Lattice="11.5689 0.0 0.0 0.0 11.5689 0.0 0.0 0.0 11.5689" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.81045396 stress="-0.01987974305485509 -0.0024008925857870065 0.0013375700357741733 -0.0024008925857870065 -0.034880531518488626 0.0013141798804607798 0.0013375700357741733 0.0013141798804607798 -0.009604074076625049" free_energy=-216.81045396 pbc="T T T" config_type=density 
Li       6.85574171       6.21166634       3.58689117       0.55700395       0.84904875       0.08746535
Li      10.74541413       1.15804689       1.30780630      -0.30585773       0.54509171      -0.33689152
Li       9.46728206       5.40767406      11.00962467      -0.11090682       1.58229692      -0.60019527
Li       6.17490037       5.05961214       0.84645129       0.40237973       0.55222622       0.04942039
Li       9.50137561       1.97105134       8.69981280       0.48705086       0.61267375       0.27717394
Li       9.29649039       0.11053702       5.22538291       0.59146866       0.46319978       0.10832722
Li       5.84014268       3.18813432       3.98908398       0.10553985      -1.21499666      -0.16279927
Li       3.53597644       0.14052859       0.02510451      -0.10395859       0.11059077      -0.25608319
Li       7.40595859      10.52105845       2.25941774       0.02539721       0.56884516      -0.41854008
Li       4.89222173       8.39454424       1.59326891       0.80021290      -0.09550597      -0.01162472
Li      11.55876564       3.00070658       5.42963184      -0.56756046      -0.61572359       0.26655237
Li       4.09203562       6.35893844       5.42129066      -0.43451493       0.23915753       0.04858942
Li       5.91434561       9.12608049       5.75898685       0.14673658      -0.01330843      -0.14022182
Li       8.74507034       5.94662284       6.83829581       0.31646002      -0.08863654       0.23940975
Li       6.69865918       7.86465391      10.09944146       0.21499094       0.06407627       0.49576988
Li       7.51866282      11.00263705       9.98940965       0.19374039       0.59804376       1.23988291
Li       0.24964529      11.09801106      10.59766771       0.77119659       0.18365795       0.28608595
Li       0.86186107       6.58592025       8.09057139      -0.32593835       0.37184257       0.64578992
Li       7.06170284       2.34391698       1.05515656       0.90161756      -0.63150396      -0.46218545
Li       4.23340758       5.72406034       9.41333628      -0.31180944       0.20832380       0.55545012
Li       2.79299854       5.24026051       2.67385044      -0.42437719      -0.48891355       0.24618393
Li       2.73245849       1.12578586       3.48058455      -0.36795344       0.12736379      -0.71740465
Li      10.32133296       9.43475031       8.17532515       0.88425345      -0.64534393      -0.71208060
Li       0.80404665       0.74663483       7.42019991       0.90504369      -0.96905319       0.90216812
Li       9.78315930       8.04573033       1.20805924      -0.14046648      -0.60290030      -0.34550831
Li       0.90924034       3.55863992      10.90972722      -0.12943449       0.56086190       0.40847184
Li       9.54516389       8.49620016       4.82180183       0.08528478      -0.59206083      -0.03877132
Li       9.72401909       4.26362554       2.69061378       0.78568684      -0.13227716      -0.20246940
Li       2.15779652       9.47300866       3.71272609      -0.64673534      -0.80601631       0.93428665
Li       0.29349952       6.12380054       5.09750029      -0.17952174       0.32002482      -0.08795755
Li       3.18142436       9.33898296       8.10180479      -0.80387603      -0.00844613       0.57095597
Li       1.91195740       7.28471652       0.04471611      -0.08688603       0.91952045      -0.06323037
Cl      10.57757253       7.50031454       6.82503785       0.08424890       0.72740956       0.68167358
Cl       9.04601213      10.27666544       3.69596276      -1.79095923      -4.42052755       0.24110973
Cl       7.46900910       7.60770864       5.42937732       1.69761296      -0.99194641       1.77824993
Cl      10.57353498       1.27201212       6.64156666      -1.97930417       3.72730887      -0.31724740
Cl      10.31538655       4.77729627       5.82033673      -2.09877912      -0.63623730       1.18645529
Cl       0.02845949      10.49322368       6.12934205       1.65555340      -2.25215363      -1.08382306
Cl       9.37306494       4.41595325       9.05035047      -0.76302093       0.19140972      -1.44166799
Cl       7.77843090       6.74337298       0.14127015       3.73765309      -1.19038899      -0.29955498
Cl       9.97917118       0.90096395       3.30670398       1.90165230       4.46961042      -0.19107860
Cl       8.72933663       0.16823032       0.47602437       0.71673520       0.29332465      -0.41822492
Cl       9.38089708       6.55186141       2.82981078       0.76026017       1.08288058       0.80611389
Cl       1.54989710       1.47579830       1.48562029       0.88961917      -0.54674473      -0.05996606
Cl       5.31168690       6.91878064      11.47817669      -4.34585832      -0.49391945      -0.71143169
Cl       0.56597835       4.32679174       3.95946759       1.90133820      -0.86556793      -2.99281075
Cl       3.55543533       2.69568096       4.55605263      -0.07137807      -0.74976386       0.85685927
Cl      11.24275188       1.86331017      10.40447865       1.71107633       0.03725461      -0.25433766
Cl       2.59707922       5.40781289      11.01306063       0.49183646      -2.07822982       0.48069552
Cl       3.06874328       9.42802878       1.86509178      -0.52852720       1.11440613      -1.48783315
Cl       1.93766349       6.98518613       3.81202196       0.41226178       1.30177991       0.31794844
Cl       2.83604642       5.68215779       7.76319466      -0.23911271      -0.93176743      -1.02924876
Cl       2.21374372      11.12495503       9.15440116       0.88922603       1.80838827       0.01504897
Cl       1.55606333       8.41898932       9.59037515       0.50766855      -0.38002935      -0.79666011
Cl       4.94612123       5.06784920       3.72125237      -1.11372918       1.49067507      -0.19162617
Cl       6.41016553       1.13048977       2.69793689      -0.88211861      -0.36898292       0.67993725
Cl       7.46730847       4.31110431       2.60245876      -0.07049730      -1.39672062      -0.70833548
Cl       5.99054995       1.13338084      10.26318767      -0.37454986       0.13103467       0.04312447
Cl      10.48839945      11.34364195       9.04128045      -2.53868699      -2.31889001      -0.50200033
Cl       5.34103720       8.22532594       3.87696977      -1.29084401       0.72886790      -1.63106202
Cl       6.89125823       9.46325608       0.23334934      -0.90005098       0.70554639      -0.43074315
Cl       4.60954722       7.98918155       7.12407078       0.53862888       0.71097895       0.48513065
Cl       9.97069117       3.73889495       0.30292586      -0.15297009      -0.96098800       3.18770625
Cl      11.44375921       6.75587896      11.15248901      -1.98925161       0.08982292       0.98157884
64
Lattice="11.5978 0.0 0.0 0.0 11.5978 0.0 0.0 0.0 11.5978" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.49168798 stress="-0.023225315172443195 0.0030870137760032907 -0.0029414967106727616 0.0030870137760032907 -0.030574110883942816 -0.0014888283595156553 -0.0029414967106727616 -0.0014888283595156553 -0.015808125016425156" free_energy=-216.49168798 pbc="T T T" config_type=density 
Li       1.54874702       7.18817727       0.02911048       0.54209007      -0.73944721      -0.34348496
Li       9.68491686       1.09185864       0.67207511       0.32954159       0.39266521      -0.32229783
Li       6.59119211       5.73678218       4.13639016       0.37608926       0.26096957      -0.48620917
Li      10.53208976       1.42724846       4.98428213      -0.41824387      -0.32841019      -1.03467627
Li       4.61368602       2.42763990       4.67094436       0.24530798       0.41028452      -0.86798690
Li       4.36463487       5.14401863       2.01386519      -0.45886467      -0.36874472      -0.32733598
Li       7.60003834      11.37507585       3.81604733       1.14923605      -1.15553917      -0.24737441
Li       7.27278322       4.21770234       0.15694143      -0.12174104      -0.03312635       0.63788612
Li      10.04241904       1.76051125       8.60781757       1.02911042       1.53200347      -0.67827870
Li       6.07733998       1.78250068       1.66306653       0.16105953      -0.52273793       0.08139463
Li       3.05925609      11.10253915      11.55409949       0.59610611       0.43998059      -0.24434556
Li       6.39113006       9.31804365       6.24511376      -0.31223872       0.02774925      -0.50568145
Li      10.89200428       4.71448250      10.75788732       0.66225042      -0.21670093      -1.31327739
Li       2.17653593       9.08633120       8.29371436       0.21570583      -0.41105185      -0.42964228
Li      11.50606917      11.17597642      10.60771901       0.52374538       0.25107513      -0.21372837
Li       9.75022407       4.21448975       3.11671159       0.40130496      -0.94404492      -0.45685527
Li       0.70273042       6.23065130       7.93286041      -0.56382335       0.12792976      -0.10430535
Li       4.40958794       9.10117639       2.64940143      -0.00452637      -0.34045618       0.14832227
Li       0.48240237       6.72262998       3.80685027      -0.18460078      -1.16218769       0.07086101
Li       6.40130133      11.08036415      10.66438586      -0.02294833       0.12335032       0.49435646
Li       8.06105089       7.28141198       1.36269511      -0.09848484      -0.20067399       0.54743822
Li       4.90487199       7.71008986      11.59523689      -0.74810858      -0.06532737      -0.84987203
Li       1.99327909       2.78090889      10.30442494       0.32261491       0.53439915       0.08675932
Li       9.60659691       8.72030464       4.37591953      -0.33468196      -0.18678957       0.70809529
Li       4.19565492       6.67365247       5.80106879       0.79286907       0.00736255      -0.08808599
Li      10.58648344      10.25617809       7.45935703       0.15667881      -0.16009341      -0.32881083
Li       1.48458799       4.05241049       5.82246673      -0.09667743       0.86505063      -0.05045235
Li       2.26385577       0.78347546       7.05359640      -0.26858303      -0.52788649      -0.67759865
Li       1.79153536       2.08201386       2.08573675       0.27509737       0.37303176       0.11743093
Li       9.16741142       5.69707132       6.57155703      -0.27971351       0.82545825       0.40262250
Li       1.83474876      10.35979284       4.25103442       0.18249382      -0.37962872      -0.72169704
Li       3.54630570       5.34122762       9.30925252       0.13311318      -1.39125834      -0.00133647
Cl       9.36925953       5.05957504       0.37189969      -1.12836033       0.90256272       0.35576596
Cl       4.31758259       2.62098682       2.19933721      -4.69503220      -0.83664135       0.32930237
Cl      10.93700375       5.38856984       5.41983750       1.11412807      -1.08885571      -1.46199145
Cl      11.49630765       2.64472752      10.46753640      -1.27519831      -0.75796663       1.41113013
Cl       9.46074298       0.30797378       9.90815131      -1.20908023      -1.38606273       0.86971328
Cl      10.39254503       4.74599373       8.23671117      -1.05350342      -0.44338643       0.49211030
Cl       8.99245861       6.11075324       3.18539376      -0.00762866       1.05697083       0.40900755
Cl       9.96539805       8.19963300       6.84608856      -0.11594873      -0.18028856      -0.31337686
Cl      10.92320237       1.77442861       2.50077563       0.39465784       0.41081671       0.96872010
Cl       6.93408107       7.31661130       5.80570791      -0.05074082      -2.08514332       1.09482397
Cl       5.37865372       1.43709500      11.08321721      -0.22740007      -0.55958649      -0.92614295
Cl       5.79583818       9.39977335       0.61432967       0.84355051       2.81099423      -0.43362427
Cl       2.31842342       5.34010263       2.71690063      -1.24215350      -0.45901995       0.13089716
Cl       0.11597916       1.46211145       6.67493982      -0.70465031       2.46670086       0.05926599
Cl       1.72617016       1.06055502       9.01407691       1.79960134      -1.09497830       1.26126843
Cl       1.25425568       5.32052554       9.93457110       0.05366540      -0.40925177       0.69361096
Cl       2.42267604       9.11196234       0.35558971       0.21402005      -1.06195463      -0.20435027
Cl       1.92864455      11.49573936       1.75795973      -0.37202558       0.91173107       1.03196555
Cl       1.92099001       8.15648919       3.99077978      -0.50677294       1.51469681      -1.53622832
Cl       1.07710740      10.52513108       6.20789642       0.93507221      -1.00203998       0.39142437
Cl       4.21397945       8.84931856       5.46516171       1.09279294       1.67568686       0.34232768
Cl       2.23302881       6.42114517       6.36038429      -1.49322014      -0.58489794       0.98125055
Cl       6.28402438       4.25430500       2.44234591       2.41642078      -0.68113649       2.00306055
Cl       8.08208930       2.30955110       1.32893391       0.72026407      -0.74291402      -0.34623627
Cl       4.19737140       4.27455475       5.78869394       0.34953645      -0.95547872       0.17665696
Cl       5.88153433       0.75907137       4.00172811      -0.78051811      -0.15832795       0.64072796
Cl       9.23390161      11.12542161       5.36750823      -0.12246245       0.29518510      -0.00018448
Cl       4.00995095       5.88127917      11.42217451      -0.89732080      -3.39091931       0.20953444
Cl       5.91952872       6.62317884       1.50130042       1.45847439       2.34076970       0.93293211
Cl       7.57024359       8.72036262       3.37178200       0.30585534       2.06024221      -0.82684867
Cl       3.21238184       7.24366114       9.33883851       0.18942034       4.77148962      -2.32093433
Cl       0.24575738       9.52913521       9.23624437      -0.18662138      -0.37620157       0.58258803
64
Lattice="11.606 0.0 0.0 0.0 11.606 0.0 0.0 0.0 11.606" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.01111878 stress="-0.01036753184034478 0.0010750946416506343 -0.005149739400067022 0.0010750946416506343 -0.004299132773864029 -0.002740161298701183 -0.005149739400067022 -0.002740161298701183 -0.009633844421155594" free_energy=-224.01111878 pbc="T T T" config_type=density 
Li       1.42448562       2.12965458       2.08648026       1.86316788       0.15213398      -0.47669027
Li      10.26527488       2.42673336       8.90996102      -0.25616422       0.38304281       1.06357968
Li       8.73435063       5.72851269       6.77919227       0.63658437       0.04739355       0.04190307
Li       5.87390105       1.52134930       1.33018687      -0.47559306       0.20960934       0.34608903
Li       7.40201665       4.03744886       0.18547781      -0.42072767       0.45192076       0.32518755
Li       4.00747056       5.09026393       1.67924893       0.54449030      -1.25498144       1.63078014
Li      10.61750537       1.35479159       4.91588378       0.56682941      -0.13239418       0.49621307
Li       4.83242504       2.13761629       4.06290081      -0.23959276       0.93859886      -0.11016358
Li      11.58028110      10.35190206      11.00892933      -0.23806753       0.15332859      -0.32314621
Li       4.52728009       8.86212109       2.80052780      -0.00369718       0.03563077      -0.10454817
Li       9.47698375       4.09290232       2.57443131       0.17319019       0.49659460      -0.22885873
Li       4.15938149       6.58838963       5.74269522       0.88353437       0.05711172      -0.14120952
Li       6.26466347       9.25527434       6.74299315       0.49749295      -0.60106116      -0.52309397
Li       9.82559318       1.15715766       1.12113612       0.07643927      -0.25141771      -0.52232052
Li       7.18347567       6.15835251       3.87811008      -0.98913756      -0.51347488      -0.58523309
Li       7.55324283       0.00568694       4.03489554      -0.25506961      -0.07245846       0.18316621
Li       5.53806984       7.56513898      11.27774750      -0.59101641       0.04363285      -0.11668328
Li       2.88132877      11.17466301      11.56809480       0.35589656       1.01127929       0.50571360
Li       2.37285831       9.03197490       8.47517705      -0.26662909      -0.57536753       0.33424390
Li       0.70429270       6.36361622       3.87848147      -0.45502713      -0.40554042      -0.01953484
Li      10.50366212       9.81518259       7.33823007      -0.22884271      -0.16893482      -0.20464804
Li       2.02414443       0.77679770       7.30350492      -0.80013851       0.08172150       0.21765022
Li       1.95772329       3.88826533       5.62039120       0.72366846       0.18237921      -0.12792441
Li       9.95472153       8.88896576       4.34638897      -0.66973631       0.00088961      -0.24128819
Li       2.00420532       2.97816924      10.75134577      -0.06008935      -0.25148092       0.06202610
Li      10.93024065       5.11934857      10.99675464       0.17068712      -0.10910539       0.01244189
Li       3.64970400       5.72644682       9.18400189      -0.47888769       0.04230898      -0.08013751
Li       6.11320517      10.78148655      10.31916154       0.11331746       0.07285993       0.53753935
Li       8.63424888       7.77719221       1.35554598      -0.33475478      -0.46549991       0.68268111
Li       1.80400182      10.27461771       4.17506120      -0.08661324      -0.30343066      -0.13729946
Li       0.00168751       6.29069573       7.56325881       0.30879771       0.00185515       0.29022563
Li       1.73081439       7.44479637       0.31536403       0.09244074      -0.39838593       0.12352066
Cl       9.10944495       6.69062688       3.46374106       1.59578309       0.16224128      -0.39193495
Cl       7.83588375       2.02081351       0.66179385       0.18895157      -0.92366837      -0.48110473
Cl      11.59481182       4.78343611       5.82837072      -0.53248681      -0.13394269      -1.30362511
Cl       8.23543190       9.88523641       3.02278270       0.44428705      -0.77468389      -2.29111520
Cl       9.68352413       4.83825125       8.67157378      -0.14118378       0.08392953       0.15891617
Cl      10.59732254       7.78222921       6.07413937       0.31182973      -0.15356195       0.78538890
Cl      10.94268228       2.67794523      11.39041855       1.07761980       0.00960332      -1.43904767
Cl       9.04124809       5.32646925       0.67154985      -0.48835212       0.73563096      -1.13254717
Cl       8.65879557      10.42427708       5.73970088      -0.46514519       0.92805592       1.81868834
Cl      11.16844219       2.19806034       2.76430547      -2.52841078      -0.29035095       1.88891527
Cl       4.60508671       9.69076627      11.55578885       2.77168742       0.71682710       1.00654181
Cl       7.12695445       6.91601540       5.92947058      -0.98265624       0.20931782       0.78005284
Cl       0.22273191       5.29325287       1.61623995       1.13629402       0.51568833       0.49177139
Cl       3.11790548       3.45044059       3.03689560      -0.76684668       0.32703925       0.55082909
Cl      11.31783579       2.05862586       7.16100645       0.52580474      -0.56270277      -0.55590389
Cl       2.56652763       0.89289020       9.51777884      -0.23093438       0.00219581      -0.82679662
Cl       1.53831727       6.20721377       9.88443560      -1.88287679      -0.85002559      -0.53807254
Cl       2.06315220      11.54570683       2.29803442      -0.14113974      -0.25395763      -0.13098779
Cl       1.90085389       8.08790804       2.94119252       0.42348543       0.30349757       0.08297156
Cl       0.40050565      10.87671378       5.97870323       1.13658832       0.14185302      -0.78964151
Cl       4.39434496       7.75103228       9.13146153       1.29881666       0.89050850      -1.11370605
Cl       2.42939113       6.32323895       6.82967837      -0.11807715      -0.13337809       0.15201764
Cl       0.01576861       9.20693535       9.13221592      -1.60883013      -0.45250427      -1.84465724
Cl       2.06831687       9.42944558      10.77089027      -0.72955313      -0.45974828       1.32393497
Cl       6.59026980       4.00440657       2.58373933      -0.01445151      -0.76906636       1.16727455
Cl       5.48539020       0.29096706       3.18681030       0.06372695      -0.54529842       0.17893184
Cl       4.61330376       3.39642626       5.87545626      -0.33368829       0.00462509       0.79121080
Cl       3.95472129       2.13609591       0.35282240       0.05033502       0.19510165      -0.44234148
Cl       6.19247415       6.64853192       1.59193699       0.42793432       1.91108093       0.54351189
Cl       4.46053398       8.89585973       5.50230015      -0.34987093       0.49781633      -0.54116467
Cl       3.75351967       6.13733404       0.04793278      -0.24353276       0.19254437      -1.00165111
Cl       9.42357294      11.24963777      10.74049416      -0.05185970      -0.38342560       0.19315928
64
Lattice="11.6227 0.0 0.0 0.0 11.6227 0.0 0.0 0.0 11.6227" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.4268077 stress="-0.015592712117797496 -0.0052248032341279315 -0.0050830215497300055 -0.0052248032341279315 -0.0218654682730969 -0.000784209951442577 -0.0050830215497300055 -0.000784209951442577 -0.017600918440514545" free_energy=-221.4268077 pbc="T T T" config_type=density 
Li       1.20691279       2.21132328       2.21828528      -0.24808854      -0.19710258       0.23032791
Li      10.78603994       2.64239760       9.31837188       0.14247726      -0.05191097       0.11904493
Li       2.74967512       8.72478896       8.96103196      -0.79421814      -0.38999591      -0.51406148
Li      10.77191836       1.74386991       5.27190562       0.16112097      -0.71530004       0.46526449
Li       1.26717649      11.52219851       8.10385784      -0.00863417       0.46622099       0.02633308
Li       4.93749730       1.91893102       1.85062441       0.48654666      -0.32489329      -0.26011941
Li       5.27935578       3.25414679       4.58065717      -0.39538717      -0.01765004      -0.08696726
Li       6.26162502       8.31632079      10.16838642      -0.02307069      -0.63189762      -0.42459230
Li       9.47181476       4.27511963       2.72627863      -0.10245167       0.87701286      -0.33459764
Li       7.06009289       4.08630887      11.42258035       0.00010402       0.40448019      -0.03953441
Li       7.45219630      11.58501235      10.25139574      -0.18442574       0.21456228       0.66679928
Li       5.69004388       9.93903568       1.29483852       0.49426414      -0.63364830       1.37074860
Li       6.66378206       6.51730118       3.16698816      -0.04096882      -0.05564192      -0.30731214
Li       3.95403092       6.39636698       5.59111146      -0.22513945      -0.31058266       0.42393230
Li       6.16736492       8.67371882       6.97378272       0.93214802      -0.31583246      -0.59267007
Li       8.86603964       0.99292029       1.54246014       0.01939795       0.15329608      -0.37161645
Li       0.62193998       6.10040655       7.86496486      -0.03709326       0.03844628      -0.11909614
Li      11.60198835       5.46870118      11.18438474      -0.39150712      -1.54174356       0.16400759
Li       8.52179851       5.75149309       8.03712030      -0.65178679       0.55952260      -0.36807814
Li      10.81680523       8.70508849      10.30294242      -0.31443491       0.26293310      -0.02787991
Li       9.68413824      10.31630852       7.86605740       0.52487998      -0.45147799       1.19452218
Li       3.43739028       4.62774072       1.99079417      -1.49868464       0.71245042       0.07878962
Li       2.05457955       3.51686630       5.71094149       0.23248737      -0.05359479       0.11306494
Li       8.97084152       7.82114728       4.70263740      -0.18855331       0.93439658       1.16817426
Li       1.00164661      10.51313894       3.21494342       0.15901790       0.21569461       0.43195300
Li       3.65453718       5.42888181       8.67436969       0.46512090       0.24419152       0.06625823
Li       7.65486132      11.22201904       4.20747551       0.03810570      -0.05892599       0.52693526
Li       2.93010592       2.53736326      10.35561649       0.38115448      -0.07558710       0.69353178
Li       8.99219242       8.45661841       1.20340274      -0.51927603       0.24395146       0.25213240
Li       2.27370231       7.39618650       0.63858136      -0.07926578       0.66366929      -0.45346545
Li       0.78247852       6.68159966       3.74471771      -0.07146580       0.16833249      -0.35278385
Li       2.87790837      10.63315494       0.05364329      -0.59905946       0.90886065      -0.18152113
Cl       8.91260017       6.85008232       2.90855743       1.33511533      -1.96222391      -1.35935890
Cl       9.34526680       2.98823104       0.26718728       0.19889874       0.62758295      -0.31284045
Cl       4.72391857       7.95368093       8.31680895       1.76899973       0.32437615      -0.24370211
Cl      10.87115297       0.78051080       7.84002255      -1.08687493       2.88833689       0.02133285
Cl       5.68173365      10.30307026      10.93420612       4.57716221       4.57485103      -1.14149073
Cl       8.82004861      10.60021621       6.14539802      -1.68618299       0.52995747      -2.53280192
Cl      10.47752699       5.45188313       8.81270307      -1.10510372      -1.03637506       0.16106531
Cl      10.15627556       2.32513276       3.17700693       0.43803973      -0.96709464       0.53088388
Cl       7.63957746       9.50581116       2.85244303      -0.24533651       1.37267534       0.48961602
Cl       6.35184042       2.10717226      11.14843573      -0.42771804      -1.41268497      -0.00809059
Cl       5.46006552       7.55959004       4.68302991      -0.55237458       0.72357111      -0.29721398
Cl       3.06141918       2.71861927       1.26589799      -0.48204273      -0.72830168      -5.30807861
Cl       0.98288874       5.85736427       1.56585663       0.18566294      -2.25051155       0.16968257
Cl       0.61954570       4.89380757       4.91451922      -1.19642960       0.34319519       0.74316183
Cl       0.38684762      11.30893359       5.26108489       0.51168001       0.20412120      -0.71405821
Cl       2.73493754       3.08159619       3.69286885      -0.09674352      -0.20827409       3.40341523
Cl       1.66499827       0.75049517      10.28771668       0.59272393      -1.33263540      -0.06699817
Cl       1.11646261       3.68013037       9.95901510       0.25243951       0.96400091      -0.23779402
Cl       1.17028966       8.48799970       2.46444244      -0.10728900       0.90489024       0.39475354
Cl       2.74728084      11.35790003       2.10967115       0.36148771       0.07428479       0.22395261
Cl       2.47296188       6.91808674       7.19671773      -1.70023795       0.35251649      -0.41402324
Cl       3.80450488       8.98874048      10.75658802      -5.03233792      -3.61374833       1.53265752
Cl       0.75411913       7.13661674      10.37514263       1.11200482       1.63879639      -0.40461999
Cl       0.01474072       9.89449749       8.70460033       1.02447072      -1.96506337       0.37208317
Cl       5.35890153       4.15809066       2.35116761       2.75394254       1.38354899       0.60329006
Cl       3.91443238       4.30918576       6.65781962       0.82493736      -0.86659996      -0.21005291
Cl       6.32714218       1.35963507       3.58000081       0.34639151      -0.31205321       0.27986157
Cl       9.29981042      10.47503973       0.05439424       0.32009967       0.22266177      -0.35213983
Cl       5.62117938       5.18452617       9.95013536      -0.08159882      -0.02062099      -0.00455655
Cl       6.91584356       7.70560602       0.57698918      -0.21711371      -1.03443609      -0.21865900
Cl       7.98660804       6.26178774       5.87683229       0.01832338      -1.54062732      -0.29863032
Cl       8.45266669       8.13393739       8.01705952      -0.26830970       0.87964751       1.64182928
64
Lattice="11.6274 0.0 0.0 0.0 11.6274 0.0 0.0 0.0 11.6274" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.47340789 stress="-0.0076438109076170085 -0.0012881912038945165 -0.00045140219287364105 -0.0012881912038945165 -0.016992474291883015 0.003732875709429401 -0.00045140219287364105 0.003732875709429401 -0.021456246417348796" free_energy=-220.47340789 pbc="T T T" config_type=density 
Li       1.35770824       1.73905208       1.90971906      -0.47424892       0.68327673       0.61402651
Li       0.25999680       5.74888887       8.10725116      -0.57131195       0.54075862       0.11822027
Li       4.68641194       2.00705202       1.82951325      -0.70511774       0.23751185      -0.60807209
Li       5.35327821       3.25254423       5.07246488      -0.04298737       0.36773320      -0.69665579
Li       5.37398661       9.71414621       1.50794588       0.38049847      -0.28986956      -0.61091196
Li       6.67765070       6.59297998       2.81929568       0.46302307       0.06356623       0.55545334
Li       7.29217042      11.44336151       4.32698575       0.62638411      -0.69656346      -0.16048968
Li       6.39286079       8.77129197       6.89757135       1.12409334       0.40399263      -0.40452688
Li       6.49442613       8.04385857      10.18191651       0.32021567      -0.14601098      -0.06779735
Li       7.37237622       0.21743238      10.67480200      -0.04856387      -1.28467585       0.25893437
Li       9.13761321       1.00428179       1.73341279      -0.44184219      -0.06872146      -0.24996999
Li       9.42575181       4.39145969       2.55803963      -0.37447486      -0.28320920       0.29697585
Li      10.92190751       1.43616994       5.71557637      -0.42912135       0.06193888      -0.75210254
Li      11.22959176       2.51814602       9.58284961       0.12895941       0.34139976      -0.10782363
Li       9.10504486       8.44085289       1.27478163      -0.62398903       0.66010750      -0.23120366
Li       9.27692109       8.11193700       4.97768994      -0.50910864       0.57966109      -0.26423858
Li      10.82952781       8.64802991      10.50083284      -0.11181883      -0.56959298      -0.62755898
Li       8.27310439       6.05146870       8.47916518       0.60118281       0.30268100      -0.30082345
Li       1.18158802      11.48937113       7.65765448      -0.32042170      -0.02136328      -0.24604915
Li       2.57272503       8.52563989       8.44530619      -0.22685542      -0.57974114       0.34606873
Li       7.17960556       4.00160459      11.50131247       0.13886816      -0.29868013       0.14603076
Li       9.52124765      10.80972635       8.19270092       0.33360184      -0.47529723      -0.14109882
Li       3.53586909       6.69718473       5.19971514       0.21299826      -0.03973857       0.59714287
Li      11.58720478       4.77722194       0.00581370      -0.52477263       0.19345243      -0.98315386
Li       2.22864701       7.72645381       0.72759851      -0.74653816      -0.18755663      -0.08253628
Li       1.97962299       3.35381888       5.02554832      -0.40090117       0.46156182       1.22013462
Li       0.62517274       6.54588901       3.24157959      -0.91398369      -0.85320207       0.80615537
Li       4.33989217       5.57667545       8.38718081      -0.16930568      -0.40831033      -0.27767286
Li       2.41885965      10.88937404      11.44957752      -0.71248506       0.80471535      -0.18725068
Li       2.93174426       2.34969987      10.28545851      -0.03759899       0.17011238       0.02796997
Li       1.07730652      10.44362603       2.89052513       0.10122604       0.32393324       0.43871519
Li       3.09038851       5.13446217       1.75249336       0.38737612      -0.49951564       0.42039891
Cl       2.68910368       0.14196009       1.77058559       0.05417840      -0.47975703       0.75510909
Cl       8.96602767      10.71034696       0.63355028       0.61983967       0.75258863      -1.42439190
Cl       8.72371265       6.39513976       6.14075551       0.08156904      -0.49776752       0.56382218
Cl       3.00268303       3.32380856       3.30537913       1.39611309      -0.11065955       2.73689857
Cl      10.79807569       1.15646469       7.83985584      -0.39201167       0.37866297       0.56128579
Cl       0.67246138       5.16365858       5.00844441      -0.85352024      -0.34161476      -0.54654922
Cl       2.68296441       3.16022267       0.90963825      -0.20499716      -0.46344491      -5.45476047
Cl       8.65634350       8.99777047       9.16437949      -0.27096784      -0.50692412       0.77153127
Cl      10.12248887       1.32117495       3.57513481      -0.41924504       0.90889319       0.01671575
Cl       2.28630729       0.23922794       9.59950005       1.10492315       1.96249218      -0.40150655
Cl       0.32777641       9.94615935       9.07236024      -0.50180060      -1.08626125      -0.56816504
Cl       8.51714026      10.14347633       6.27497059      -0.49289356       0.62590531      -0.58697643
Cl       9.13497379       6.49305410       2.03212070       1.73879983      -1.49201076       0.82718184
Cl       3.40918856       9.24086452       0.10615816      -1.54600698      -2.20238849       1.44825138
Cl       5.06779066       7.56429809       7.95196723      -0.37598964       0.33283350       1.29860705
Cl       0.96447888       6.91139632      10.69154546       1.00314318       2.57804753      -2.79911902
Cl       2.14584830       6.47256662       7.22891736      -0.07529956       2.34133439       0.66417035
Cl       0.62392163      11.54303159       4.92884323       1.50487166      -0.67767401       0.81180492
Cl       1.18498322       5.90753312       1.31334971       0.05172421      -2.12851226       2.93580869
Cl       6.65774459       4.23166433       3.13435171      -0.05760422       1.00264976      -0.13894254
Cl       6.19499733       1.33268608       3.06098281       0.63749699      -1.49614463       1.29858114
Cl       3.73404649       4.41355175       6.28117962       1.48076222      -1.24366150      -0.11564094
Cl      10.15341776       5.92688111       9.94981036      -1.60269610      -0.82181623      -0.65989633
Cl       5.95515895       1.62941733      11.37056236      -0.37760168       1.12587703       0.02716589
Cl       6.68012734       4.88074068       9.49306283      -0.67299735      -0.08486385       0.06226005
Cl       6.83776000       7.65208496       0.85981949      -1.61119705      -0.23313560      -0.89155391
Cl       1.56586196       8.32489283       2.87742105       0.60414883       1.42519222       0.77448459
Cl       8.13658709       9.32477947       3.02676338      -0.08893278       0.57286399       1.87475417
Cl       5.82362980       7.90755056       4.94586575      -1.04671734      -0.36914121      -1.14780454
Cl       1.24628287       4.10984406       9.11112599       0.28511021      -1.87425435       0.80705824
Cl       9.55739723       3.00856650       0.62603666       0.33699512       0.23659345      -0.54161599
Cl       5.51625948       9.86124445      10.68984786       3.25782322       2.37174365      -1.80485860
64
Lattice="11.64 0.0 0.0 0.0 11.64 0.0 0.0 0.0 11.64" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.44949714 stress="-0.012445001356993963 0.00043411865519090223 -0.0008167432560254221 0.00043411865519090223 -0.031758875319621696 0.00448340291996851 -0.0008167432560254221 0.00448340291996851 -0.01943182823654894" free_energy=-217.44949714 pbc="T T T" config_type=density 
Li       0.96145818       1.61053368       2.75906412      -0.15405710       0.51339418      -0.18379896
Li       7.13401632       3.75636768       0.15631822       0.44742163      -0.11030225       0.71433173
Li       5.56255812       3.69462912       4.16441952      -0.01703379      -0.22503030      -0.35189297
Li       5.15831256       5.26811268       7.27481376      -0.15594169       0.58065624       0.05579618
Li       9.43870140      10.75745520       8.84423496      -0.60608034      -0.09668346      -0.64119094
Li       4.26857424       9.18287748       2.16516804      -0.05866520      -0.13499958      -0.19022128
Li       7.19953788       6.94535520       3.61569828       0.10755557       0.34876922      -0.51818770
Li       7.44282552      11.30636268       4.63490832       0.38327660      -0.15141978       0.04555275
Li       6.56340024       7.93054152       6.64735956       0.66280318       1.18620829      -1.63637944
Li       5.93913540       8.19230184      10.51668180       0.60678518       0.09372222       0.07353088
Li       9.99307968       0.90700044       0.77010473      -0.32703764       0.33492659       0.65538057
Li       9.28890624       3.94622772       3.40052124      -0.25861114       0.08348667      -0.76413994
Li      10.51849764       1.00128677       5.51955996       0.05178149      -0.20494057      -0.04104256
Li       0.38656440       1.64355636       9.63449784      -1.67759104      -1.09197454      -0.18272786
Li      10.87829004       4.83950460      11.55045348       0.06742056      -0.24461515       0.32490417
Li       8.26707720       9.25758300       1.28374068       1.09972720       0.81061842      -0.05449780
Li      11.37478260       7.26912180       3.02208156       0.33494500      -0.36411139       0.18161342
Li      10.42863684       9.33029808       5.99958192      -0.42558429       0.11597228       0.25030070
Li      10.99240860       7.97270160       9.47381928      -0.04728560      -0.11198741      -0.29858167
Li       8.15520516       5.93130168       8.70342588       0.15624117       0.59247034      -0.32349553
Li       4.99755252       1.34613108       2.05184100       0.01458315       0.55891925       0.18208253
Li       2.74184856      11.29658508      11.21919072      -0.94690297       0.69648189       0.06639780
Li       6.13284828       0.10859294      10.54497864      -0.17303971       0.20209626       0.35739465
Li       3.70846908       3.12347760       9.62444088      -0.29042977      -0.20741996       0.38022345
Li       2.08269864       8.15652048       8.00456028      -0.22044631       0.41578124       0.11965734
Li       2.57645580       4.50179328       1.56819900      -0.71427521      -0.02481363      -0.00489798
Li       1.99163892       7.76709264      11.63772147      -0.26543635      -0.29588763       0.08184275
Li       2.87139012       7.01983956       4.83415020      -0.58227679      -0.26306047      -1.40886021
Li       1.85898948      10.42238616       3.64338984      -0.77836887      -0.92120692       0.79291867
Li       2.34888216       3.80300916       4.92082164      -0.43041797      -0.27361291      -0.11897218
Li       1.07954132       5.39238132       8.14009644      -0.13160647      -0.58047607       0.02932000
Li       2.15600736       0.40344240       7.24011492      -0.65453704       0.30562272       0.50603038
Cl       1.32463200       3.33850332       9.36502020      -0.85870650       6.11091877      -2.15550606
Cl      11.12611728       0.30091612       7.72223208       0.29408915       2.96031012       1.12727798
Cl       2.37880860       1.18526628       9.63045876       3.19187027      -4.82647659      -0.28695036
Cl       1.49814948       1.73820120       5.57975040      -0.24040563      -0.35724060      -0.49528911
Cl       1.42832112       6.91780332       9.68342076       1.08186869       0.14464377       0.49029164
Cl       7.76052768       9.26850132       4.39000272      -0.41674494      -2.14161283      -0.87793737
Cl       3.49649304       3.28087368       3.08648568       0.71511032      -0.78575501      -0.77556836
Cl       2.29214880      11.56477499       2.07077928      -0.10574301       1.85886410      -0.21899935
Cl       8.88193692      11.21610612       6.21461928       0.05972470       1.30053827       0.04765272
Cl       8.50502208       8.70539304       7.54368612       1.53518494      -1.28539743      -0.04834211
Cl       1.50821808       2.77781616       0.55567498      -0.33251374      -0.04562635       0.78904767
Cl       7.32424884       9.95064024       9.97019544      -2.02447042      -3.04082671      -2.21076023
Cl       8.18347872       0.02537520      11.45699359       2.43273744       2.87701031       2.83957919
Cl       9.40393272       6.26851248       2.52109596      -1.04563097       0.25172597       0.74315654
Cl       9.95582004       3.01053468       1.46416068       0.35906872       1.62384591      -1.88147047
Cl       6.16936296       7.03626360       8.36896212      -1.82248234      -0.03966275       0.13045167
Cl       0.42342712       9.55389084       8.18322264       0.59566192      -1.71340966       0.38105266
Cl       7.04289840       3.48371232       2.46801756       0.02979608       1.35856008      -0.65066653
Cl       1.01904824       5.25360924       3.95996292      -0.13763202       0.37500366       0.30238264
Cl       0.81161530       8.63029176       4.68279528      -0.43973636       0.42846749       1.07733487
Cl       4.21682280       3.92732436       5.91388824       0.34993279      -1.43416339       2.30351925
Cl       6.57616932       1.44987840       4.34133588      -1.39579159       0.00289961       0.39443297
Cl      10.17064788       0.81599077       3.12432732       0.79680277      -1.32168606       1.13712108
Cl       3.11156988       6.77290860       6.83157420      -0.06622222      -0.30684563       1.31058405
Cl       6.90666384       5.16900972      10.18554708       0.06717911      -0.85066309       1.29086090
Cl       6.41800500       8.57596788       1.50079176      -1.45222085      -1.49680876      -0.04371068
Cl       0.41100840       6.54164508       0.98652958      -0.47186314      -1.31443897      -1.11595383
Cl       1.88789160       8.64769356       1.94925768       1.89081032       0.46786836       0.25007706
Cl       5.08680804       6.22447836       4.49428548       1.20222209       1.43039857      -0.86368576
Cl       4.44964608      10.63116120       0.45337800       1.65052862      -0.09908548      -0.93063763
Cl       5.33586912       2.65742364      11.19564300      -0.71311755      -1.16693476      -0.16731114
Cl      10.20585888       5.89188864       9.31800624       0.25377792      -0.50100474       0.00957520
64
Lattice="11.6469 0.0 0.0 0.0 11.6469 0.0 0.0 0.0 11.6469" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.71420356 stress="-0.018900668732064925 0.00013476896816293877 -0.0005678228094139469 0.00013476896816293877 -0.028992103733735872 -0.0050322703473067686 -0.0005678228094139469 -0.0050322703473067686 -0.028388642163115006" free_energy=-216.71420356 pbc="T T T" config_type=density 
Li       0.94005391       1.64550897       2.75102107       0.51163631      -0.25167437      -0.37953130
Li       7.38098994       8.93179797       7.19370779      -0.96184074      -0.12470578      -0.78966418
Li       2.85541224       6.87499037       4.42134959       0.25363406       0.07435491       0.23064953
Li       2.77814670       8.67708026       7.27326776      -0.38180870      -0.50564323       0.32832288
Li       9.14336390       3.68080475       3.22327958      -0.66323954       0.54501696       0.46553826
Li       5.03129774       1.32837553       2.16588082      -0.29559313      -0.12460449       0.32251230
Li       9.84348236       1.01437394       0.96595545      -0.80456680      -0.89573024      -0.77318149
Li      10.66341247       4.51315046      11.54264860      -0.16457300       0.01938659      -0.07546549
Li       7.14546633       3.37362941       0.50455186      -0.10332541       0.58369738       0.26143098
Li       4.77285303       5.41397994       7.32741420       0.10373247       0.56518162       0.31611527
Li       8.70966829      11.06123563       8.67619510       0.21090857      -0.01775675       0.50758237
Li       5.96627593      11.58362239      10.46908394      -0.43770332       0.20327195       0.45326481
Li       5.89560255       7.74575920      10.26882715       0.50952928       0.23833357       0.25541661
Li       4.61126394       8.98331220       2.05299906      -1.47509748       0.86037516       0.11495257
Li       7.25316521       6.80043856       3.22197512      -0.16733023       1.50591124       0.33674563
Li       5.54032551       4.13385751       3.78849199      -0.49851251      -0.31746271      -0.10575951
Li       2.08314124       7.59451255       0.10382850      -0.46090026       0.11271484      -0.33067407
Li      10.70539954       1.52779375       5.76554161       0.37227721      -0.60157337      -0.02689189
Li       7.22946377      11.10496974       4.65385666      -0.07575394       2.13277517       0.12156773
Li       1.11821537      10.10914815       3.60558907       0.12047480       0.06039009      -0.37948472
Li       0.51224697       1.50859966      10.02228557       0.85343564       0.31237370      -0.42932379
Li      10.99212293       7.62527202       9.49499546       0.30275756       0.38280587      -0.32828964
Li       1.10438701       5.05864466       7.86097033      -0.64219662      -0.18717053       0.65936525
Li       3.64544476       2.92280120      10.17788815      -0.52351377       0.05657405      -0.01450400
Li       8.33287943       9.37141021       1.20598991      -0.47661654       0.01215952       0.16728085
Li       2.29795666       4.48830762       1.43835721       0.15498410      -0.88820702      -0.24866753
Li       2.07496512       1.05889888       7.09947272      -0.12586293      -0.48568012       1.34421590
Li       2.20203280       3.51510430       4.84159304       0.55045040       0.44091957      -0.04462255
Li       8.09060061       5.54910727       9.01566729       0.84667640       0.61595606      -1.06552024
Li      11.55335210       6.96865474       2.85591306       0.00659121       0.18736335       0.07466549
Li       2.92233533       0.55686391       0.49851294       0.46723412      -0.31417340      -0.22041919
Li      10.65804325       9.20489448       6.42579273       0.06892815      -0.07180359       0.08365103
Cl       7.31115512       9.20496436       4.55759503       0.04283641      -3.18699348      -0.85043612
Cl       8.34640148      10.75543463       6.63745184       1.14864942       2.25381455      -0.22956969
Cl      10.95633201       5.45559431       9.40492998      -0.78387164      -0.73299202      -0.65945443
Cl       6.46395962       7.02627195       8.03471879      -1.66161394      -1.31795802      -0.30631248
Cl       9.61813814       5.81136052       3.02698272       2.27724443       1.66627106       0.81366203
Cl      10.56611427       0.16185115       2.73300332       0.33544500      -0.80194729       0.90995633
Cl      11.28722043       1.73562104       7.82070700      -3.55734530      -1.83087324       0.01354823
Cl       7.06905101       9.85715582       9.61445772      -1.44564749       1.14830422       0.96521224
Cl       9.83818302       2.94008520       1.43860179       0.70302241       1.40079251      -0.79660943
Cl       4.13765440       4.84437665       5.40687533       1.10461921      -1.41683230      -1.16784337
Cl       4.85785211      10.31661438       0.33096530      -0.95781720       1.05907805      -0.51041207
Cl       1.64179361       2.39403194       0.27311282      -1.76323825       0.97197502       0.54711122
Cl       3.24765654       2.98998052       2.94398691       0.71327334       0.03468702      -0.25470419
Cl       0.60093462       5.72336819       0.66766320      -1.34930751       0.41101960      -3.13829372
Cl       1.54648703       1.34026702       5.13622467      -1.03582502       0.28161290      -0.93424419
Cl       3.06009486       0.85946552      10.05437278       0.23406117      -2.00303961      -2.40188436
Cl       1.74553255       2.96729236       8.27456340       3.30698845       2.34554448       0.61359860
Cl       2.52063374      11.54907769       2.44084083       0.00105996      -0.16936772       0.76876586
Cl       1.88432866       8.44374627       2.17260108       0.18799324       2.18433490      -1.63556038
Cl       1.77961138       5.91784812       2.82924165       1.43639367      -2.31343200       4.53218348
Cl       0.51901731       8.31727258       4.81135768      -0.81291687      -0.29217622       0.45200537
Cl       2.66854937       6.25754161       7.19970594      -0.09213874       1.28033249       0.08737256
Cl       0.97871579       9.89260898       7.43545084      -0.62278048       2.17586753      -0.91031074
Cl       1.71272323       8.08134133       9.32308722       0.25405714      -0.68546409       2.77432271
Cl       7.25684563       4.85241301       2.59591931      -2.65209923      -2.53535982      -0.69481478
Cl       5.08437267       2.30046075       0.12496658      -1.23518468       1.31257351       0.39624748
Cl       6.51121109       1.44211916       3.93893499       0.09209129       0.33815569      -0.10610131
Cl       7.55252548       1.34548483      11.47205674       2.63818686      -1.77087974      -0.58088866
Cl       7.29232209       5.31698455      10.83668340      -0.54533198      -0.14767553       1.01401249
Cl       6.44777043       8.32296792       1.54794289       3.68775447      -0.94198391      -2.04973944
Cl       4.82709265       7.47902189       3.45944377      -1.17363060      -1.33863792       2.22822593
Cl       8.91028614       8.37851198       8.44005420       4.45025711      -1.50212661       0.27967693
64
Lattice="11.6601 0.0 0.0 0.0 11.6601 0.0 0.0 0.0 11.6601" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.32539389 stress="-0.009797146785329001 0.0016673520854811365 0.0014348395864446756 0.0016673520854811365 -0.02803881328487302 -0.000835378099158442 0.0014348395864446756 -0.000835378099158442 -0.028232231760699528" free_energy=-216.32539389 pbc="T T T" config_type=density 
Li       0.56210893       2.05404322       3.01723744      -0.92452145      -0.40619352       0.23842646
Li       3.11324670       7.08978388       4.13287580      -0.38156689       0.17877327       0.26391800
Li      10.17947718       1.57083701       6.64587222      -0.25051609      -0.08496147       0.15650415
Li       3.12709890       8.89508219       7.79446203      -0.42491495      -0.71033950       0.46318094
Li       8.58521503       3.71249422       3.55017397      -0.16184038       0.18145635      -0.79863683
Li       4.76254452       1.41006755       2.80213191      -0.08323576      -0.15365512      -0.59146970
Li       9.07191926       0.83043465       1.70385543       0.01530571      -0.96176657       0.73468610
Li       7.03199643       3.36318094      11.65528846       0.38582062       0.50156279       0.28026525
Li       5.57239677       4.76942398       3.63964191       0.06739190       0.38271142      -0.21461496
Li       4.78652935       5.50738005       7.37571286      -0.40375426      -0.10314636      -0.18219354
Li       8.42765210       0.01935577       9.29677263       0.03811557      -0.43117930      -0.63307790
Li       5.28372767      11.57141794      10.79235536      -0.15144881       0.35177223      -0.13260015
Li       6.50486663       7.58596778      10.53472545       0.30761845       0.14106809      -0.03716242
Li       7.44918315       8.35561600       7.13489681       1.03836155       0.90614826       0.16162123
Li       4.79333885       9.40851137       2.16694796       0.67738544      -0.27742192       0.11548258
Li       7.32093371       7.56787130       2.99898938       0.00392220      -0.20208958       0.53040615
Li       7.49091464      11.32216698       4.66318881       0.05852669      -0.59122659      -0.29344791
Li       8.19595425       5.49513695       8.45750195       0.92919410       0.21176428       0.38149879
Li      10.54391361       4.46616810       0.48937440       0.46069302       0.34966769      -0.30704826
Li       2.09806009       7.88029202       0.15344342      -0.21189930      -0.09262791      -0.58996472
Li      10.91063541       7.57936816       9.77280787       0.78368358       0.03565359       0.17952739
Li       0.81140187       9.97308175       3.28020767      -0.02134224      -0.39004229      -0.23248015
Li       8.80800456       9.07530069       0.78120105       1.72139901       1.71370334      -0.00271674
Li       2.66911349       3.83239503       1.17792662       0.78039094       0.98752242       0.67666404
Li       0.80611635       4.67024317       7.67804759       0.25097745       0.05353766       0.44552688
Li       3.83245333       3.15802148       9.81026012      -0.36184677      -0.60152123       0.02637969
Li       0.32424989       1.80135719       9.97591516       0.24627087      -0.06323283       0.49976827
Li      11.61987265       6.25721776       2.72003315       0.00336635       0.10515629      -0.14832645
Li       1.95982961       0.64356989       0.46725519       0.29560105      -0.23184323       0.31467130
Li       2.39266418       1.08013220       6.89798690       0.17308974      -0.36595936       0.06955945
Li       2.64012648       3.81280606       5.00416512      -0.17175572       0.15670592      -0.76600958
Li       0.06168193       8.22708672       6.30128128      -0.14339944       0.20022693       0.91190826
Cl       8.72686192      11.55345673       6.47126222       0.10252165      -1.23857849       2.00119174
Cl       7.33751437       9.75511950       9.58595477      -0.82772105      -0.40028020      -0.51600252
Cl       9.32486181       2.82305013       1.40120588      -0.07066194       2.06700555      -0.15711689
Cl      10.76860373       5.43654495       9.32355588      -0.12089733      -2.79075530       0.29353590
Cl      11.31820255       0.66789053       1.06861552       1.51850139      -1.15634896       1.08816074
Cl       9.08093252       6.15410750       2.79341016       0.90751569      -0.39991449       0.66116369
Cl       0.55723618       1.80567143       7.84132397      -1.21003737       1.59342717       3.41731738
Cl       6.47059759       6.84382573       8.16274629      -1.34873392       1.22322559      -2.51391633
Cl       7.43135485       9.88208633       2.83972407       0.72159808       1.75330800       2.04375736
Cl       4.41362769       5.32977341       5.12653787       0.11212216       0.19623377       0.14495596
Cl       4.89675228      11.29561693       1.26500425       0.72864906       0.97918033      -1.05507006
Cl       1.44345042       4.23022598       3.14471731      -2.74613382       4.29860201       1.01808416
Cl       2.62615768       2.19705434       2.62769682       3.95624621      -4.35848196       0.31151233
Cl       0.15728192       1.20912905       5.46697781       0.47419958      -0.61031983      -4.89711405
Cl       3.25806514       3.43204549       6.94951288       0.32344226      -2.26281624       1.62896393
Cl       3.01983764       0.94344901       9.56490829       0.75340650      -0.76451109       0.11906822
Cl       1.46883446       2.77323818       0.01096049      -1.09347385       0.54349717      -2.15297000
Cl       2.92985665      10.00637134       2.87525240      -1.00190731       0.19424931       0.88628396
Cl       0.59784831       8.20992305       1.58849040      -1.10614037       3.77749251       1.76301491
Cl       0.55425702       6.11389181       0.24130111       0.03135600      -3.32274109      -1.10696744
Cl       0.85215042       7.49620833       4.50721165       0.01682855      -0.13527649       0.28162687
Cl       2.65446841       6.18470360       7.25141619      -0.91992444       1.55459431       0.84085982
Cl       2.38300962      10.36895381       6.51407811      -0.04104660       0.30996016      -0.37580008
Cl       1.59044930       8.25958342       9.50869495       0.14854647       0.54666997       0.39248439
Cl       6.60928282       4.19685477       2.09256819       0.28150446      -0.34371807      -0.36479277
Cl       8.86654992       0.13073188      11.37793957      -0.92565578      -0.33204319      -0.87633057
Cl       7.92365594       1.70991868       4.46339300      -0.40213687       1.74148654      -1.05535603
Cl       6.78186396       5.34531632      10.20768296       0.43057420      -2.44855875       2.24018651
Cl       5.02763690       2.55373680       0.02530242      -0.40386298      -0.02192906      -0.70313448
Cl       7.21546810       8.02486560       0.96311610      -2.06326739      -2.32235419      -2.90242805
Cl       5.00322065       7.49518224       3.12309948       0.27886544      -0.50850357      -0.11201073
Cl       9.89773419       7.45141023       7.76751554      -1.04934889       1.84797486      -1.86340354
64
Lattice="11.6709 0.0 0.0 0.0 11.6709 0.0 0.0 0.0 11.6709" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.42251686 stress="-0.007444245132003364 0.005586814190017672 -0.0004675239547722154 0.005586814190017672 -0.016709357340785883 0.0016403488703309883 -0.0004675239547722154 0.0016403488703309883 -0.03069593782703136" free_energy=-219.42251686 pbc="T T T" config_type=density 
Li      11.61327692       2.28475374       3.63668745      -0.69243575       0.79247271      -2.48520492
Li       2.82321405       8.45084034       9.06782246      -0.43856960       0.03128165      -1.02031499
Li       4.43198926       1.42452671       2.45724964      -0.35156729       0.47655150       0.38819006
Li       7.00842213       3.77900241       0.19237028       0.09814070       0.33870410       0.02304096
Li       5.15872453       5.73024851       3.20063929       0.16621497       0.37685327       0.17800584
Li       8.61394116      11.20119296       9.28381581       0.00763171      -0.48175276       0.28537768
Li       5.38320263       9.78955092       2.22248949       0.17397978       0.88289663      -0.54703519
Li       7.98643188       7.74726013       2.80217142      -0.79446321       0.60439346       0.05564298
Li       7.80443587      11.04335571       5.08550131       0.10091448       0.52465555      -0.20336266
Li       8.28239424       8.99289529       7.35378741      -0.45340814      -0.08748351       0.48514682
Li       6.47660256       7.06766362      10.27972872       0.93136598      -0.18333579       0.11808259
Li       5.68652932      11.44627019      10.76935799      -0.01321679       0.13821868      -0.33878328
Li       8.77334232       0.46325770       1.91989806       0.51194828       0.12881032       0.90984937
Li       8.76090114       3.70139092       3.26210992      -0.30949114       0.58745195       0.53812129
Li      11.09720524       4.27841189       0.22341721      -0.34318407      -0.26485256       0.32035722
Li      10.13754215       1.35618192       6.64990376       0.62887667       0.42119406      -1.05978987
Li       8.90957673       5.12876533       7.64108995      -0.38494693       0.12196748       0.55176408
Li       9.07761435       9.41305936       0.06718494       0.76841410       0.42612893       0.56451602
Li       0.12406167       6.44824228       2.63928067      -1.10107879       0.66860916      -0.07751565
Li      10.49911830       7.58420599       9.41595374      -0.11185509      -0.41819306      -0.23937500
Li       0.60998659       7.74590630       6.67420257      -0.30061266      -0.89538052      -0.65961921
Li       3.35569886       7.94426492       4.59960673      -0.22253425      -0.13216334      -0.01434949
Li       4.29434267       5.47145797       7.41079975       0.43970288       0.30841205      -0.04940061
Li       1.25393317       4.49368164       7.49638246      -0.87992762       0.35896161       0.35022397
Li      11.05117638       1.77582080      10.08777743       0.56703522       0.20368932       0.28648586
Li       1.37059548       8.00802305       0.21246173      -0.45219943      -0.42506482       0.51517562
Li       1.74149669       0.57148779       6.83969593      -0.27890545      -0.36463688       0.13491504
Li       2.81378396       4.52574160       0.77997208       0.76818944      -1.25773846       0.30988998
Li       0.97985609      10.01966606       3.36954055      -0.13121370       0.21058091       0.11271674
Li       2.39687607       3.88018911       4.60874504       0.23672570       0.30753299      -0.15210105
Li       1.66345338       0.53814053       1.06426354       0.04201848       0.35387259       0.10775024
Li       3.00391460       2.14753897       9.54000374      -0.09607495       1.37963712      -0.07562734
Cl       9.41072518       2.77133690       1.53677743       0.47532198       0.13536995      -1.58522284
Cl       9.38137286       6.23545843       2.76994806       1.99583189      -0.69768075       0.40589940
Cl      11.50441461       0.50077731       2.53114978       0.09934363      -1.77041943      -0.88397483
Cl       8.90971678       1.16109583       4.21901868      -0.24378722       1.28503424       0.80659524
Cl       1.22700840       5.48210183      11.65526321      -0.68398009       2.86456179      -2.89056329
Cl       3.08668462       3.43322865       7.36955479       0.56754202      -0.69243156       0.46627780
Cl      10.98035619       5.48095808       8.34680593       2.95779767      -2.08351555       0.71974723
Cl       2.46611952       2.30326379       2.98672336       1.71856348      -1.23144643      -0.45090080
Cl       8.74355818      11.49392247       7.07190016      -0.66590696      -0.98951168       0.95424558
Cl       9.38502586       7.20971015       7.33132092      -0.54402643       2.41608778      -1.79681574
Cl       1.49669956       4.91025107       2.57216132       0.53012674      -0.76789020       1.82412949
Cl       0.64922532       1.89887877       5.34718623       0.88256732      -0.30849847       0.86952683
Cl       6.34970487       6.95075622       8.08645150      -1.31315334      -0.07528945      -0.33199944
Cl       1.29863271       9.48712289       7.53676378       0.28287275       3.45975264      -2.15694611
Cl       2.93364411       7.21270957       6.88232973       0.18967737      -0.17499144       1.79015589
Cl       0.99753400       7.19880953       4.44319333       0.13308538       0.67984354       1.42183649
Cl       0.75479095       8.76936254       9.94510068      -0.72649477      -0.66171322       2.57243470
Cl       0.04811060       8.64893052       1.94984559      -0.44779291       0.31237155      -1.35885025
Cl       6.97637384       4.76622050       2.44155228      -1.69361327      -0.81770045      -0.60404823
Cl       3.20550605      10.05146926       3.14569269      -0.83351372       0.57254242       0.31188198
Cl       0.99973746       2.54231883      11.57429996      -0.64436361      -0.79621414      -0.62864345
Cl       4.28187815       5.39418494       5.16613556       0.38210551      -1.01981105      -1.23472506
Cl       4.55467376       3.22465800      11.07687453       0.49967240       0.70118679       0.31535063
Cl       8.33493663       5.16732599       9.94165776      -0.50369628      -0.66657121       0.95116776
Cl       7.43996533       8.27671051       0.64635545      -1.70349304      -1.39223527       1.86381161
Cl       0.13698952       1.98946830       7.91588129      -0.80216050      -0.17776862       3.09888366
Cl       4.85249179       0.00408481       0.97428440       1.08984238      -0.41216686       1.08146931
Cl       5.41108441       8.15172684       3.40296601       0.42162629      -2.39641338       0.94066978
Cl       7.86082966      10.11485392       3.20837709       0.09783340      -0.16813972      -0.47250353
Cl       3.11512660       0.33286924      10.44746289      -0.29701001      -1.76251507      -1.00029271
Cl       8.02143291       9.01370450       9.90844238       0.75231132       1.12778141      -3.42180946
Cl       8.48234009       0.05637045      11.47105918      -0.05860291       0.37611750      -0.88956077
64
Lattice="11.6738 0.0 0.0 0.0 11.6738 0.0 0.0 0.0 11.6738" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.94923419 stress="-0.010636902316980808 0.00798655444966533 -0.00464725628456755 0.00798655444966533 -0.025711836700894147 0.0003391118825143701 -0.00464725628456755 0.0003391118825143701 -0.021021073071945805" free_energy=-218.94923419 pbc="T T T" config_type=density 
Li       4.32664882       5.57411109       7.33178846       0.44127272      -0.38624127      -0.32412892
Li       5.17598781       5.91393541       3.03419573      -0.75361838      -1.34306917       0.30706876
Li       3.36140067       8.41357616       4.77250626       0.31766987      -0.52443284       0.26117592
Li       0.54492948       7.62053990       6.77688605       0.66886564       0.05494373      -0.27477342
Li       9.04458007       5.00537523       7.57859594       0.17490133       1.00670948       0.72904114
Li       2.60394615       8.51446114       9.17669246       0.60956656      -0.18231932      -0.40149014
Li      10.07014675       1.34833557       6.59413271       0.37983523      -0.21673094      -0.49934018
Li       0.02288240       6.50063725       2.77995204       1.40884480       0.24804214       0.29060456
Li       4.32528299       1.67419803       2.47855787      -0.37547723      -0.29634265      -0.18535602
Li       6.98790166       3.97058625       0.14863783       0.33895623       0.13440381       0.25623758
Li      11.52303287       2.22959074       3.57225284       0.63917556      -0.31932489      -0.08157887
Li       8.78761638       3.70875459       3.32776845       0.12198723       0.37705769      -0.65669196
Li       8.70925016       0.54041289       2.02306954       0.03665907       0.00113934      -0.00534182
Li       5.40178245       9.86148925       2.18749501      -0.21950169      -1.31270834       0.62680673
Li       5.66709291      11.45943401      10.68361661      -0.32706543      -0.14200984       0.23860777
Li      11.16367829       4.16241013       0.16135059       0.31276904       0.47475161       0.64497116
Li       1.26468112       8.06552181       0.33255271       0.75293961       1.09054919      -0.33419995
Li      10.94459608       1.74156753      10.09106620       0.16672171      -0.10473305       0.92457801
Li       1.04991239      10.11693534       3.48453591       0.91177313      -1.80586917       0.43616234
Li       8.70148709      11.29986484       9.32402749      -0.00184745      -0.73361369       0.00345084
Li       2.90194325       4.58217663       0.65736335      -0.58186022      -0.21997430      -0.18162690
Li      10.49251650       7.54009575       9.29130583       0.62150644      -0.16214129       1.74195940
Li       1.69491902       0.57523817       1.05546795       0.35142467      -0.35504900       0.36460378
Li       8.25815118       8.87605709       7.32682709      -1.34527727       0.42985824      -0.10674754
Li       2.31712089       3.71258359       4.59039498       0.17056300       0.18515545      -0.32681433
Li       1.46836559       0.36888741       6.87192246       0.61609986      -1.13233112       0.44459435
Li       8.89774701       9.43628275       0.06407037       0.37918274      -1.16995192      -0.14597084
Li       7.97893724      11.03380726       5.05044777      -0.22113747       0.24413809      -0.92898067
Li       2.85643877       1.97287220       9.54675192       0.04082863      -0.17597454       0.09042311
Li       8.44914623       7.80422715       2.74084481      -0.39129559      -0.42213337      -0.00761921
Li       1.24910827       4.37304050       7.67308368       1.44412007      -1.05294300      -0.34800703
Li       6.73114810       6.89340225      10.27373782       0.15166707       0.53861759      -0.29032729
Cl       8.91772088       1.61042406       4.21852608       0.25244688       0.02756412       0.73923059
Cl       9.52545891       7.37254169       7.61394421      -1.16490434      -0.36712183      -3.21721643
Cl       8.52874987      11.15795813       7.11961714       0.35285734       0.80037114      -0.22334262
Cl       9.82577909       5.79927534       2.32274766      -0.18374099      -0.03173267       0.11030087
Cl      11.51943734       5.69909079       8.04776596      -0.13309868      -1.11211125       0.58135439
Cl       8.22863982       5.24395268      10.24145976       0.31023683      -0.69418745      -0.30593467
Cl       9.13595090       2.85168754       1.01063005       0.26095123      -0.43624136      -0.33928634
Cl       5.95869276       7.09162337       8.07998565       0.37834630      -0.38071944       0.19839876
Cl       0.15176290       0.07206248       2.79390223      -1.58538218       1.25435916      -0.61376362
Cl       5.13412557      11.62626429       1.15957840       0.74038604       1.70385987       0.10050647
Cl       1.53376221       4.76342405       2.52465770      -1.47761248       3.16720399       1.05248618
Cl       2.18063082       2.43080035       2.40244469       2.55471164      -3.84567461       0.40498076
Cl       1.00291600       2.07797142       5.71297094      -2.03595632       0.33614600      -3.98265696
Cl       2.90557380       2.91878854       7.28303867       2.11641974       0.63392156       1.83786151
Cl       3.81673724       5.34281809       4.94728640       0.66092468      -0.99883357      -0.52711075
Cl       0.08278288       1.61657615       8.14846416      -1.88193371      -0.39240277       1.63643934
Cl       1.07219183       2.15822880      11.35475505      -1.12925043       0.66575589      -1.06448673
Cl       3.36476272      10.09168491       3.25819260      -0.30156347       0.39567224       0.27613630
Cl       0.27221784       8.57124250       1.94184324      -1.63613028       1.27261602       0.47384313
Cl       5.73878171       7.68005293       3.66577165       0.14749277       1.74938219       0.72461459
Cl       1.33452547       7.52042539       4.49496167      -0.97103328       0.13297199       0.74570826
Cl       1.78151527       9.55819225       7.50866988      -1.09344026       3.12660375      -1.36514836
Cl       0.64016201       8.35388802      10.02205069      -1.07226655       1.59523949      -0.36505980
Cl       3.40595956      11.36341701      10.48212682      -0.50579926      -0.08241854      -1.08834336
Cl       1.29561669       6.15818632      11.61879305       0.55773439      -3.30273458      -0.69848352
Cl       7.10832858       4.91805520       2.78466825      -1.41778399      -0.91314705      -0.47981376
Cl       8.50490029      11.41810876      11.47997990      -0.02133864       1.92792208       0.09657155
Cl       4.22268196       3.37120666      10.70049692       0.78056681       0.54421948       0.65900430
Cl       7.39092793       8.07988058       0.76034845      -0.54900399      -0.61075692      -0.39309549
Cl       7.38628176      10.12350769       3.09884523       1.70393936       1.10963155       0.77360098
Cl       2.98751220       7.16104746       7.13258674      -0.39494574      -0.64019381       1.09255181
Cl       8.01965545       9.09582805       9.46794210      -0.10207888       0.63736266       0.89886225
64
Lattice="11.6835 0.0 0.0 0.0 11.6835 0.0 0.0 0.0 11.6835" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.03256351 stress="-0.01811590888494383 -1.02788667530156e-05 -0.004035615372274942 -1.02788667530156e-05 -0.022375305802489965 0.0002814194665846918 -0.004035615372274942 0.0002814194665846918 -0.01519227863145711" free_energy=-220.03256351 pbc="T T T" config_type=density 
Li       1.57344031       0.55794437       0.57554907       0.98579062       0.52908320      -0.44102202
Li       7.27938131       3.99854936      11.64018927       0.03137899      -0.06799038      -0.03974398
Li       5.22406672       6.36083622       2.74167348      -0.17710547      -2.28199467      -0.58710761
Li       7.47329236       8.61493388       7.29837868       1.29896139       0.21344518      -0.25611114
Li       4.01690413       9.51276412       5.56562216      -0.35259141      -0.27477403      -0.78856920
Li       4.63227408       6.28661095       6.88846308      -0.72879442      -0.60997796      -0.60438711
Li       7.23542798       6.87499201      10.33876420      -0.09006441       0.83647267       0.10317438
Li       5.40925020      11.63236132      10.95315273      -0.08515800       0.01806475      -0.10641468
Li       8.22764922       1.13148505       1.39377145      -0.26708446      -0.44235145       0.63259631
Li       8.72132383       4.32165655       3.27037522       0.05601053      -0.11603113      -0.68985638
Li      11.42867118       2.13334868       3.18015523       0.44086240      -0.15729087      -0.15384861
Li      11.01355643       4.16215341       0.28694325       0.26800007       0.71820455       0.33603375
Li       9.71685150       1.60919182       6.48990385       0.84317822      -0.66832142      -0.28146115
Li       9.40298595       5.00531655       7.61292187      -0.41871022       0.20286452       0.61654112
Li      10.91116223       1.51557194      10.54045646      -0.92922078      -0.33782265      -0.15190185
Li       8.56233476       9.44216073       0.21667051       0.55777812      -0.51904880      -0.21918718
Li       8.79275675       7.68950721       2.90077938       0.67175965       0.05980997       0.09019621
Li       8.39020175      10.98034024       4.77772197       0.09861616       0.15338382      -1.31807685
Li      10.57621965       7.13929614       9.73607085       0.34367615       0.00614653       0.06549420
Li       8.44795329      11.57159544       9.03475708       0.54285194      -0.40332464       0.20608384
Li       4.72006390       1.96987315       2.43220093      -1.67173418       0.94968535       1.06495069
Li       2.59981242       9.09705350       8.97968106      -0.34780981      -1.08024917       1.47180405
Li       5.73845618       9.92525009       2.35007761      -1.00027111      -0.14358119       0.43620603
Li       2.91715965       1.24672292       9.56550344       0.07630333      -0.02285336       0.36790930
Li       2.55400142       4.04226901       0.56235840      -0.87336848       0.65636443       0.68486075
Li       1.43277097       3.79955598       8.13066449       0.20925840       0.62088253      -0.00051426
Li       1.22645205       0.05360168       6.91746153      -0.47063539      -0.42847259      -0.30630434
Li       0.31677707       7.29194107       6.59368838       0.13663271      -0.08818481       0.23994481
Li       0.76113212      10.24406943       3.66324459       0.29585746      -1.35214377       0.88010492
Li       0.33924561       6.30224347       3.62052971       0.45797880       1.55354481       0.45050314
Li       1.17232239       8.24904171       0.83919075      -0.32008382      -0.17324717      -0.15141511
Li       2.37057047       3.46329317       4.30567352       1.02061213      -0.64743829       0.95613504
Cl      11.48222835       5.41097936       7.87261102       0.07863664      -1.88390885       0.95776949
Cl       8.45391188       5.17433006      10.11416060       0.47843324      -0.89533997      -0.86346689
Cl      10.61277733       0.52628559       8.47872763       0.45561779       0.86667693       0.60166385
Cl       3.49347165      10.82570911      10.12965292       0.49433972       0.19085960       0.75312004
Cl       7.82758281       9.82471357       2.31100798       0.72344510       2.63313907       2.27568253
Cl      10.95071088       8.25363332       1.98603143      -0.09899686       0.85970902       0.46570851
Cl       7.85244530       7.51376400       1.04229321      -0.55232023      -0.65136079      -3.02289962
Cl       8.56353816      10.93447082       6.89757621      -1.09902989      -0.32423276      -0.75012975
Cl       9.45310817       7.02176013       6.96523536      -0.83185303       0.85298444      -2.65024410
Cl       2.24208702       2.16733598       2.42924500       2.23267126      -0.77520529      -0.09545449
Cl       1.45133605       4.65786095       3.03446199       1.34036158       1.49897798      -0.06829289
Cl       2.23127978       1.73605126       7.64703769       0.79529863       1.05355720       0.19061336
Cl       0.24243379       1.59388644       5.37247054      -0.67475765       0.10511784      -0.03538312
Cl       0.93670709       2.52301677      11.20906812      -2.03939054       0.19675159      -0.44225652
Cl      10.65961648       5.25889524       2.50640284      -3.93836325      -0.88810068      -0.31303394
Cl       1.06207688       6.12121932       0.05654814       0.42209233      -1.74360012       0.00691230
Cl       2.56659623       9.89892716       7.17172954       0.00800540       0.77328951      -1.23431674
Cl       7.04516218       5.05755348       1.83622559      -1.13383645      -1.51512262       1.10964975
Cl       5.83495020       1.07743368       1.06112468       1.24564624      -0.85225379      -0.02046594
Cl       4.53887618       4.78064285       4.51692288       0.15688487      -0.31524824       0.24732367
Cl       2.50368058       6.07809552       7.66769411       1.32974145       0.18393618      -0.09835934
Cl       8.35817728      11.55361453      11.27030134      -0.07226218      -0.18220686      -1.18443937
Cl       5.50532362       8.00297551       3.71027068       0.29208531       2.11484637       1.53240112
Cl       1.24707342       8.26771194       4.82229452      -0.77854356      -0.84617252      -0.00919320
Cl       0.62688170      11.60934483       2.23171207      -2.40302096      -0.24776343      -0.80690999
Cl       6.05600202       7.35990399       8.06931443      -1.28843410      -0.46717026       0.38027342
Cl       9.10715973       2.87319464       0.55017017       0.88698028      -0.08707491      -0.47707292
Cl       3.10691137      10.41204311       3.67134126       1.35530214       0.51186416      -0.17970599
Cl       3.60634595       2.53427967      11.19552694       2.66441222       0.07216314      -0.83866153
Cl       0.73999667       8.60426684      10.30011518      -0.19275601       1.17912250      -0.84146841
Cl       9.15351986       1.44033020       3.53892047      -0.57680147       0.09843751       0.75579504
Cl       8.65015963       8.33768442       9.22988322       0.11753687       1.78047412       2.14822463
64
Lattice="11.7071 0.0 0.0 0.0 11.7071 0.0 0.0 0.0 11.7071" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.4263035 stress="-0.007078895574157663 0.00015410881471776376 -0.0013459718685217255 0.00015410881471776376 -0.01594423697010671 0.0022420200765421133 -0.0013459718685217255 0.0022420200765421133 -0.01171319798102499" free_energy=-219.4263035 pbc="T T T" config_type=density 
Li       2.72014469       0.08140052       1.33308748       0.54939113       1.11536838      -0.20438560
Li       7.72723623       3.53824854       0.05373559      -0.42072443      -0.12879380       0.06140395
Li       5.18296731       6.28499176       2.34232145      -0.10403570      -0.41721946       0.07595800
Li       7.63201068       7.82661781       5.82039549      -0.00195938      -0.05612384       0.48112086
Li       4.98512903      11.63035996       5.79939296      -0.84150795      -0.72555037      -0.51613237
Li       4.26038930       6.59297044       6.00649155      -0.46012447      -0.22211468      -0.21657004
Li       7.00428769       7.27623191      10.55034486       0.28537409       0.13220638       0.17876858
Li       5.54908345      11.36346149      11.11851384      -0.11903901      -0.19767334      -0.20025098
Li       8.38003584       0.71349623       1.48854606       0.18915264      -0.18891574      -0.02423263
Li       5.39495948       2.19107742       1.77885872      -0.82205277       1.14528957       0.02853021
Li       7.89357071       4.08608228       4.06612168      -0.09942319      -0.00182904      -0.09338319
Li       9.95829340       5.21067802       1.45440815      -0.00249090       0.10772856       0.29145246
Li       8.97108049       1.69219106       6.11699487       0.00785158      -0.15751873       0.39951201
Li      11.15286247       1.70128748      10.21827297      -0.11962397      -0.01820590       0.14531748
Li       8.58877343       5.48798410       8.46104897       0.01133852       0.04247824       0.34605223
Li       8.57180984       8.09288409       2.28273231       0.21764534      -0.47301813       0.08786886
Li       8.80777815      10.40713191       4.64116272      -0.08720789       0.25416343      -0.06316459
Li      11.36872969       6.75766592       9.97695452      -0.43656361      -0.30156884       0.50497494
Li       8.23424732      10.87501787       8.75844443       0.43062726       0.46108967       0.52620805
Li      11.53535684       2.21155314       2.75665913       0.45531230       0.09904297      -0.11985219
Li       2.62982441       9.58484862       8.69700557       0.11881893       0.25992680       0.29270515
Li       5.82380226       9.73652581       2.43008958      -0.28989941       0.47382753       0.84145750
Li       0.99469024       0.25026619       6.76127171      -0.15694315      -1.00565949      -0.58887180
Li       2.20651909       3.77132519       1.06157173      -0.28923951      -0.18906835       0.38607986
Li       2.11397446       3.24966853       4.93828892      -0.21365221       0.18330498      -0.17644879
Li       3.28111380       1.70545521       9.29022774      -0.13962408      -0.12438885       0.11378960
Li       1.29540232       4.27213152       8.36748583       0.20977990      -0.26762935      -0.67642693
Li       0.80391719       9.55607257       3.82693392       0.03862775      -0.65113976       0.86132298
Li       1.15149865       6.10250148       3.90521930      -0.17988362       1.95210998       0.71168835
Li       1.39357806       7.90886018       0.80031375      -0.25238315       0.57047747       0.08409200
Li       9.46992002       9.55662280      11.32997919       0.55332594       0.04490499       0.85822703
Li       0.00601265       6.99828195       6.43631773      -0.09463732      -0.39775214       0.08186231
Cl       7.90005644      10.94500291      11.07472929      -1.55956812       3.44180319      -0.04741323
Cl       8.53869046       8.78773559       9.63767105       0.55278682      -2.77493819      -1.28274157
Cl       0.65143924       4.37225064       3.17489528      -3.03726557      -3.37629733       1.00423227
Cl       8.06627385      10.16872852       6.80618014       0.97387362       0.10243889      -0.34452199
Cl       9.40371637       6.49789708       6.76373020      -0.17531653       1.43036232      -2.03823800
Cl       2.57715417       2.30908499       2.85618119       1.24551049      -1.01022379       0.17259415
Cl       9.10877940      10.21465548       1.86426202       0.22715983       0.80950382       1.41395401
Cl       0.98224910       1.67179729       0.30356510      -0.99752368       0.16553189      -0.84839729
Cl      10.83804685       7.84527892       2.88779036      -0.22024742       0.73999109       1.19458800
Cl       3.13101707       5.45234768       3.56465976       3.49430167       1.02154741      -0.54690896
Cl       9.69493048       1.08984672       8.27428560      -0.34702346       0.33951081       1.68859663
Cl       0.37138082       6.00074337       1.15756527       0.52321451       0.47675267      -3.37302736
Cl       8.34516039       5.47022442      11.20027623       0.69852210       1.23274106      -1.65956593
Cl      11.06428655       5.23834190       8.47549553       0.40035613      -1.16355692       1.57502289
Cl       1.76115759       7.91654004       5.28794488      -0.20137066       1.56699168       0.03357469
Cl      10.90502316       1.01543756       5.64800845       1.03555948      -0.72839078      -1.69856116
Cl       8.32791583       1.94416298       3.96613134      -0.71374255      -0.34463867      -0.01782242
Cl       8.11867483       5.92748034       3.06380661       1.60316080       2.35881624       1.64544343
Cl       3.28468446      11.44977794      10.38751081       0.33292514      -0.63063230       1.17204202
Cl       3.22122027      11.06678017       4.23372052       0.63353787       0.35212916       0.82881042
Cl       1.88779329       1.99192794       7.21978028       0.33107181       2.80150601       1.10463967
Cl       3.39190979      11.31067418       7.48388075       0.72410909      -1.11712460      -0.50656832
Cl       9.55096827       2.89654727       1.05738059       0.25480517      -0.91901173      -0.05748902
Cl       6.52180298       4.56842651       1.61101403      -2.70260993      -2.58857436      -0.68049767
Cl       3.95036187       3.11015501      11.43150316       0.43917441      -0.01400575      -0.78909857
Cl       6.10503022       9.72299240       4.89094541      -0.10397956      -0.96362451      -1.78533490
Cl       1.38622600      10.45290667       2.10538145      -1.16787370      -1.17746703      -1.92778110
Cl       5.23624632       0.05317002       1.55953791       0.44150303      -0.04474858       0.18920404
Cl       6.42806423       6.11849338       7.11467393      -1.12204458       0.01671513      -0.05009750
Cl       6.51248412       8.46308600       0.80867027      -0.60873980      -1.03697265       0.14589603
Cl       1.70537326       5.25267139       6.32775779       0.50680237      -0.90061603       0.88712907
Cl       1.41861955       7.93240316       9.82533587       0.60270159       0.61673268       0.11966441
64
Lattice="11.6956 0.0 0.0 0.0 11.6956 0.0 0.0 0.0 11.6956" Properties=species:S:1:pos:R:3:forces:R:3 energy=-212.80730676 stress="-0.009193652808792753 -0.005411049179878284 0.003644422252950154 -0.005411049179878284 -0.03986815847937256 -0.005998247855596221 0.003644422252950154 -0.005998247855596221 -0.024953021702462233" free_energy=-212.80730676 pbc="T T T" config_type=density 
Li       2.02809891       0.56168587       1.33842107      -0.11865937      -0.16114104      -0.40197851
Li       2.68437411       9.26594436       9.41714508       0.23180062       0.09179661      -1.13954598
Li       4.79969881       2.07800403       2.29471181      -0.01075291      -0.09594869      -0.74708571
Li       8.98385818       5.25920723       7.81276606      -0.47353391      -0.21084317       0.89424044
Li       9.46100358       1.48213661       6.34476944      -0.10815318      -0.57037086      -0.28477797
Li       7.58582464       3.66275783      11.45283443      -0.38697064      -0.70231733       1.00708636
Li       5.03818379       5.94887338       2.63441051       1.37666108       0.21980440      -1.20573025
Li       5.59940885      10.11385197       2.32578702       0.40787230      -0.24082859       0.23952494
Li       8.05697019      11.13252703       8.50902852       0.39609896      -0.10145883       0.03778976
Li       7.66859440       8.29581773       6.81758746      -0.04022379      -0.09613607       0.09246382
Li       4.64955069      10.87283793       5.57031019      -0.22175009      -0.51369739       0.00075868
Li       4.21912922       6.51711580       6.23794182       0.36894534      -0.38937682       0.05153530
Li      10.60896180       5.12691830       0.80249944       0.30859020      -0.37190495       0.03734482
Li       6.91978361       7.20949532      10.41066291       0.53038055       0.03773719       0.04128910
Li       5.55693043      11.56103043      10.92284832       0.06802291       0.01869144       0.27143272
Li      11.09196669       2.13376866       2.74342520       0.24126156       0.09530184      -0.37448527
Li       8.33031975       4.07735516       3.52393106      -0.10392082       0.89407781      -0.77156170
Li       0.24951744       7.01587466       6.86955101      -0.75351168      -0.02455595       0.54509906
Li       8.48598819       0.62201294       1.52903596      -0.05078641       2.69031300      -0.77548785
Li       9.19352521       9.64077664       0.03789409      -0.26721674      -0.45065014       0.40578245
Li       1.12880083       7.94941745       1.07567591       0.36588496      -0.04067090      -0.82004952
Li      11.20602218       7.00007390      10.08082359      -0.56556010      -0.18712579       0.05203424
Li       0.75166335       6.27233858       3.53955638      -0.94292196       0.81946100      -0.00523846
Li       2.29464163       3.95786121       0.85137769      -0.71556021      -0.34152239       0.29788450
Li       0.73276911      10.09095198       3.72141127       0.21739264      -0.68694454       1.27508684
Li       8.53908621       7.79647409       2.94947828       0.11737768      -0.06362296      -0.27754604
Li       1.75001263       4.29286998       8.21512979      -0.60843340      -0.29956629       0.07602145
Li      10.66356856       1.17846035      10.79379907       0.18134323       0.51594578      -0.25941161
Li       3.32862624       1.21740670       9.36022259       0.18871846      -0.36012777       0.61359078
Li       0.75007275       0.13480582       6.72598752      -0.30580832      -0.80440417      -0.81699187
Li       3.23689765       3.46623667       4.56914344      -0.42487495      -0.98454465      -1.30917216
Li       8.72563103      10.78833722       4.12186861       0.37273066       0.53181278       0.94789658
Cl       9.80175488       0.98569698       8.54192824       0.61423834       0.48442948       0.62389779
Cl       8.01353273      11.43877632       6.32112093      -0.19039574       1.00895194       0.73670297
Cl       9.48338896       6.98098668       6.80252352       0.06591090       1.23312784      -1.58187270
Cl      11.20881743       8.64877924       2.19300687      -2.64155865      -4.46442872       0.49034033
Cl       8.03949696      10.56693951       2.16602512       0.28876298      -1.81779341      -0.51092466
Cl       7.99264439       2.04367745       3.36786498       0.09904152      -0.95318238       1.88965300
Cl      10.83448806       0.07896787       4.48458426       0.34785030       0.70156686       1.04176946
Cl      11.44558316       5.68212013       8.40294943       0.91883235      -1.94320170       0.76078059
Cl       9.72128916       5.73553394       2.76337789       0.15170154       0.65473270       0.95906822
Cl       8.11236055       5.19453057      10.14400323       0.49527671       0.61432040      -0.84264850
Cl       6.98781691       7.96324165       1.09224390      -0.64451191       0.00541730      -0.32662736
Cl       7.67976370      10.79671127      10.66155692      -1.81216937       5.21857492       2.69733044
Cl       1.29842212       4.36057581       3.26052276      -2.22298224       1.60140501       0.25803782
Cl       2.46933881       2.30916757       2.57302030       2.75151123      -2.63012439       0.58267405
Cl       0.47231862       2.49008680       0.22439763       0.47202370      -0.60057000      -0.59000276
Cl       2.61386134       4.38951072       6.21568510      -1.30656846       0.05319445       3.78341255
Cl       1.65923138       1.29587248       8.10710923      -0.56778721       2.13785485       0.49374612
Cl       1.22461119       5.79578967      11.56601275      -0.15598751      -1.91816987       1.55072960
Cl       3.06194317      10.36702662       3.87995682       1.06970657       0.10217587      -0.25876213
Cl       0.42957237      10.82028960       1.89396207       1.43771817       5.12488161      -3.02698629
Cl       9.39809294       3.24011394       1.02802804       0.42293733      -1.06623470      -0.68695512
Cl       0.74515942       7.72466311       5.09610040       0.90746871       1.17151278      -0.72641221
Cl       1.24314872       8.11866448      10.36515533      -0.03647970       2.34949719      -0.71998710
Cl       3.19916764      10.97634399      10.38434781      -0.55217816      -3.24907594      -1.42585590
Cl       6.82307269       4.84717125       1.64946555      -1.49318937      -0.07674579       0.54142283
Cl       6.40633507       1.41531964       0.85035667       1.98567895       0.42263558       0.09955297
Cl       3.90997943       1.02258607       0.14817039      -0.77691618       3.87132216       1.90603543
Cl       3.95003686       5.43238398       4.24376016       1.57263878       1.69583415      -1.11658267
Cl       6.96311581       9.56014718       4.64934017      -1.72418912      -2.19918126      -0.17031608
Cl       6.44385456       6.29847825       7.37364306      -1.12434920       0.22301247      -0.20313792
Cl       3.24819560      10.59012019       7.37712835       0.56741339      -0.91134827      -0.93848128
Cl       8.33109166       8.90911160       9.46736598       1.80610868      -5.06157369      -2.98740045
64
Lattice="11.8477 0.0 0.0 0.0 11.8477 0.0 0.0 0.0 11.8477" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.71704951 stress="-0.007760633670831805 -0.0007291757942496125 0.0023813917956778618 -0.0007291757942496125 -0.021521511250602816 0.004476230021643317 0.0023813917956778618 0.004476230021643317 -0.013667640724320326" free_energy=-219.71704951 pbc="T T T" config_type=density 
Li       5.02066429      10.97175215      10.52260584      -0.44031187      -0.35373269      -0.24432751
Li       7.04172789      11.41685839       2.12739671       0.76985130       0.32259901       1.58429310
Li       6.68309801       5.75781633       3.00499139       0.51214128       0.19358646       0.33279890
Li       7.31122752       1.94496582      11.50278976      -0.58613787      -0.36589381       0.30738015
Li       9.62828221       4.49608367       5.22751328      -1.13419127      -0.99866467       0.02220098
Li       8.88031321       5.98369273       8.51205115       0.19659405      -0.21337673       0.28831270
Li       4.04537347       5.76586092       5.74421517       0.35150112      -0.64840642      -0.53488440
Li       5.01985864      11.82398896       5.76467615       0.89084553       0.71105509       0.15866156
Li      11.65566063       1.21276612      10.64092882      -0.12636074       0.17192532       0.06514491
Li      10.64482671       2.54162784       7.93134798       0.19703305      -0.64131712      -0.55983599
Li       6.82826787       3.07085275       3.91171957      -0.26183700      -0.63953718      -0.19739932
Li      11.24823008       1.65604781       2.66313785      -0.02257436      -0.31496608      -0.38905707
Li       2.06559910      10.34735466      11.04940197      -0.22906952      -0.96885662       0.48835934
Li       2.45646657       8.42213896       7.76114393      -1.09306959       0.38050683       0.80803892
Li      10.60378628       9.92808826       1.26644804       0.50538081       0.46543210       0.18398554
Li       8.62876284      11.81363881       5.48850626      -0.12126154       0.33343407      -0.23823403
Li       5.78762515       8.83030407       5.87039318      -0.28085721      -0.13567785       0.55162481
Li       9.34150863       8.73096110       4.20018737      -0.29540074      -0.30250547       0.43109844
Li      10.03982391       9.71032753       8.11794926      -0.24090240       0.51155838       0.07440246
Li       1.10399357       5.32145369       2.95763613       0.26503018      -0.05456348       0.20075396
Li       3.67099800       1.58467727       2.36948076      -0.26402149       0.14212250       0.43797566
Li       0.91083933       3.79589645       0.17971184      -0.01069330       0.01326489       0.70218842
Li      11.36232343       7.47309080      10.85504046       0.12319716       0.04431827       0.15780896
Li       1.79551893       9.58053598       4.07425816      -0.27535651       0.21194601       0.22751787
Li       2.24147821       2.63061592       5.50151504      -0.20390202       0.29413661      -0.22569832
Li       1.48681526      11.68736034       7.00847139      -0.57439616       0.85668737       0.48487762
Li       9.44419264       4.85421595       1.03799595      -0.09847343       0.06078234      -0.18341918
Li       1.04800844       5.05197776       8.21686571       0.58024424      -2.37837030       0.25314916
Li       7.84964624       8.25367651      11.47287432       0.01765777       0.23212743      -0.35259124
Li       3.18613087       2.50296880       9.00531829      -0.10071574      -0.67903995       0.17887458
Li       3.27581796       7.34805017       0.39023480       0.09603407       0.62168974      -0.12567765
Li      11.72621368       6.96045266       5.55645282       0.09181149      -0.46757254      -0.40805671
Cl      10.90529840       5.52323187       3.90717005       0.45417115       1.11093679      -0.45413107
Cl       1.36005672       2.83593656       2.75780098       0.26318676       0.23966820      -0.20123717
Cl       8.91686336      10.48418375       3.13605065      -1.50519140       0.67539194      -1.37519609
Cl      10.20826266       4.56738313       7.34685355      -0.20323766       1.25399586       1.06722662
Cl       8.95365047       6.26936448      10.92641100       0.73786483      -1.71475116      -0.99904480
Cl      11.54228999      10.53270008       4.08330980       1.31599223      -0.32967815       0.72684133
Cl       8.17958099       9.43940617       6.37503411       0.66960527       0.30623435       0.55809156
Cl       0.46324507       6.80933525       7.63549907      -0.87020146       3.35238442       1.23354705
Cl       9.45387222       2.09146263       5.89337772       0.70847208      -0.68016281      -0.36377299
Cl      11.61388564       0.09278834       0.72890723      -0.53230617      -0.54354562       0.94071495
Cl       5.96622922      10.91598502       0.54983043      -0.40538362      -1.91571887      -1.57015467
Cl       8.35653824       4.06707846       2.80183888       0.44257149      -0.23584961      -1.57685261
Cl       1.81884706       5.86638865       0.64351375      -0.45451286      -1.38148347       0.53553531
Cl       1.43393898       2.45857547       7.57236267       0.64539992      -1.35291973      -2.47751521
Cl       2.03588507       4.84952426       5.94018798       0.66844732      -0.78716593      -0.60806596
Cl       1.26335579       3.24936205      10.01917337       0.03438685       1.81792236       1.60898438
Cl       1.73837748       0.31661793      10.19537237       2.34763269      -0.31806929      -0.28970818
Cl       1.04584269       8.76829321       0.48723903      -1.15968577       0.40556894       0.55035210
Cl       1.84501863       7.54638067       4.94018286      -0.60429851       1.18504927      -2.25137131
Cl       3.16421263      10.93489395       5.86452857      -1.31638313      -3.36288631       1.43709111
Cl      10.60998263       2.94675994       0.26299761      -0.84120438       0.62575031       0.04354161
Cl       3.25145909       8.40484131      10.27466902       0.74473095       0.57592195      -0.87570374
Cl       7.04976063       4.62573305       5.31044718      -0.74302389       0.52572162       1.49987420
Cl       6.60395537       1.22970833       4.94449542       1.19068640      -1.71761915       0.83442045
Cl       3.76262811       1.29055811       4.66329026      -0.84840431       2.60189135      -1.84359873
Cl       5.48775986       0.87127275       9.43848205       0.18766274       0.99318168      -0.30393134
Cl       9.68154947       8.97786717      10.29732183       0.44115562       1.39550468      -0.46455260
Cl       7.30545769       7.16486103       1.29735869      -0.82243211      -0.02557099       1.02659810
Cl       3.90671984       7.52792195       6.77812841       2.87163505       0.39423343       0.97444852
Cl       6.44302806       7.47677543       4.46304044      -0.12641284       0.27433154      -0.74701909
Cl       5.86943351       1.54116066       1.94872154       0.25024565       1.66985700      -0.57417863
Cl      11.33354536       0.44310398       8.45418698      -1.77895817      -1.44281608      -0.54149970
64
Lattice="11.7525 0.0 0.0 0.0 11.7525 0.0 0.0 0.0 11.7525" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.62195653 stress="-0.006513823840962641 -0.0015167973108898335 -0.0015209044860380477 -0.0015167973108898335 -0.022846243026391815 0.0047861289451166114 -0.0015209044860380477 0.0047861289451166114 -0.0071379598238611374" free_energy=-219.62195653 pbc="T T T" config_type=density 
Li       1.61514607       5.01386330       2.77430690      -0.46008482       0.30360045       0.36626867
Li       5.59229785       5.19782519       2.42025109       1.24884336       0.12181570       0.61530440
Li       7.44412752       0.94935755       3.56735385      -1.20882325       0.59042286      -0.09734625
Li       7.64329714       2.70819909       0.41042551      -0.49774568      -0.64294148       0.48863067
Li       4.11204697       2.13039918       8.44096282       0.53483302       0.41441119       1.52058944
Li       9.00530611      10.54541248       8.84117070       0.29841727      -0.34894275       0.22181525
Li       5.51375589       9.96040828       2.29701437      -0.34267946       0.26696707      -0.78492037
Li       6.32745198       8.27319588       5.72798046       0.16074086       0.28090964       0.01859703
Li       4.11413891      11.37920534       5.60181737      -0.46759444      -0.07437697       0.45454919
Li       7.72923142       7.60402028      11.48902070       0.86432232       0.78116155       0.99047858
Li      10.56539173       4.37220031       0.98102113       0.14158106       0.27771484      -0.10701911
Li      10.93318621       1.56218931       3.00416230      -0.25957314      -0.46618061      -0.60083490
Li       9.61593076       2.19246413       6.95796185      -0.34956198       0.67864130       1.85197142
Li       7.89576434       4.53041246       4.86113956      -0.19183864      -0.07289168      -0.46955980
Li       8.33658886       5.29411342       9.23757077       0.72081530      -0.28831598      -0.35031426
Li       8.99744369       7.79405821       2.77295536       0.54881730      -0.11300109       0.06376360
Li      10.99690827      10.41768631       0.72182327      -0.01607680       0.19593521       0.03301616
Li       9.19781207      11.06008971       5.16876125       0.40634390      -0.02939678      -0.39793209
Li      11.29193128       6.31102198       5.18111313      -0.05524102      -0.22765993      -0.51764538
Li      11.44010680       7.54867776      10.48018610      -0.05504975       0.82726514       0.73459494
Li       4.21833658       2.19551978       1.21775879      -0.35370018       0.18693368      -0.34484284
Li       2.55645081      11.17631018      11.51138571      -0.10462776       0.21560210       0.36434535
Li       6.23340848       0.05896899      10.56045568      -0.52538526       0.48319919       0.60188361
Li       0.47725610       4.54927522       8.29534934       0.02194799      -0.55677797       0.35366079
Li       2.92659580       9.44346282       8.19847349       0.62904465       0.04555154       1.60206785
Li       1.30044938       9.81939004       4.13049839      -0.26815805      -0.61762141      -0.00305851
Li       3.01640840       6.28879801       6.46074883      -0.29514750       0.09396850       0.04649427
Li       0.29030908       1.66347235      10.21068952       0.38845252      -2.43129364      -0.58484460
Li       2.08472896       4.65039373      10.92433658       0.20400849      -0.64650422       0.09880439
Li       2.75316415       7.86027179       0.47910947      -0.51969928      -0.22539534      -0.17147942
Li       1.94071383       2.84362315       5.60892763      -0.00150544       0.06257454       0.42190579
Li       0.47580701       0.37115923       7.11499876       0.12034920      -0.25854125      -0.12872282
Cl       7.93567583       4.33904650       7.24583934       0.21824739      -0.21704509      -0.23962543
Cl       2.60591708       1.75652865      11.34207920       1.22022051       0.76785309      -0.57662744
Cl      10.36013431       0.47968769       8.48208481      -3.93043458      -4.94277477       1.25292431
Cl      11.74289821       2.26869085       8.13725471       3.53453264       5.06556919      -0.98469605
Cl       1.32726859       9.23080133      10.85524363      -0.76187041      -0.70367536      -1.33773466
Cl      10.41373747       1.63925045       5.23674946       0.46121478      -0.92558849      -1.62072063
Cl       2.89730857       1.35995229       6.95067530      -0.09125411      -1.15782161      -1.56252828
Cl       0.53642993       4.42173710       6.05800241      -0.05580480       0.70406903      -0.54099893
Cl       0.96529511       0.18970298       1.23450610      -2.14841273      -0.24867672       1.41224832
Cl      10.71355549       9.53107771       4.56686872       0.09755357      -0.06337098      -0.53692977
Cl       8.30887647       9.89869591       6.86033383      -0.94469087      -0.46656239      -0.07580447
Cl       3.72784599       4.38280106       2.19501442      -0.93207944      -0.54480651       0.11465910
Cl      10.60840588       5.67806759       9.96943420      -0.81411592      -0.13337356      -1.94802397
Cl       9.71696700       6.76880536       0.83391627      -0.76832966       0.09287517      -0.29957465
Cl       9.34053442       2.71272380       1.95200798       0.58690335       2.43728851      -1.39998150
Cl      10.98100714       5.27720157       3.04897458       0.48704364      -0.26376030       1.34024068
Cl       6.47127907       3.04675336       3.03614085       0.10025770       0.53731054       1.02662323
Cl       2.27027744       9.88736650       6.35360129      -0.92971189       1.98379902      -1.32552286
Cl       5.83296554       0.77479414       1.08535983       0.47601198      -1.48016721       0.23189686
Cl       5.71620445       2.40289265      10.37464865       1.09317290       0.91924325      -0.87620496
Cl       1.36723884       7.42078705       4.97578520       1.00924428      -0.58520691      -0.32511274
Cl       7.07989404       8.39649136       1.93004256      -1.16852218       1.91010742      -2.30010298
Cl       8.84165255       0.16427762       2.33948791       1.00224277      -3.17627454       0.23193516
Cl       1.45112818       6.03700069       0.89120970       0.18874327       0.96210496      -1.28197098
Cl       2.98849622       9.68014642       1.47884058       1.60805420      -0.01156731       1.83992106
Cl       4.44593549       8.04305842       7.16800253       0.94786811      -0.87022828       0.06232574
Cl       0.27224079       3.36211994      11.02015472      -1.11322511       2.67675872       1.88375395
Cl       5.76631711      10.93587754       4.22225016       0.18002319       0.09628765       0.87504922
Cl       4.15397989      11.20359949      10.04792915       0.63280318      -1.14779375      -1.54416365
Cl       3.11082799       4.17901271       8.25797639      -0.19008596       1.40233724       0.31611704
Cl       7.29725653       6.42174229       3.61210737      -0.03102802      -1.78058568       2.43989469
Cl       9.32721884       9.41777185      10.89462626      -0.28059658       0.33684224      -0.54148648
64
Lattice="11.8206 0.0 0.0 0.0 11.8206 0.0 0.0 0.0 11.8206" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.45133368 stress="-0.004565891384900678 0.006476666632932559 0.0031092202790430337 0.006476666632932559 -0.018077314263603567 0.004393950397606501 0.0031092202790430337 0.004393950397606501 -0.00857042783656627" free_energy=-221.45133368 pbc="T T T" config_type=density 
Li       4.31097282       1.50123984       9.58244031      -0.21044553      -0.62727246      -0.41105801
Li       4.22692835       6.93125704       6.05109517      -0.23700742      -0.40624445      -0.90222270
Li      10.30620383       0.99045871      10.47195228      -0.57641957      -0.81849458      -0.52371891
Li       3.92520754       1.95919353       1.76580851      -0.08701164       0.57248227      -0.03788544
Li       9.65824582       5.77658537       8.41520335       0.46060729      -0.03871862       0.22009033
Li       6.70307218       2.85271268       3.68339352       0.31889740      -0.84272349      -0.56356905
Li       7.06446338       2.99614384       0.14744780       0.10675663      -0.11982334       0.17616504
Li       9.75946562       4.13151247       4.27040452       0.10713807       0.21460781       0.29346199
Li       4.41085689       0.44140957       5.18010608       0.00591707      -0.21646127      -0.45391396
Li       9.47499106       2.18376129       6.73657176       0.36504263       0.09861716       0.40500006
Li       6.77407852      10.64246444       2.02527068       0.16252071       0.16686997       0.51435744
Li       5.88706070       6.09435856       2.88436825       0.88173411      -0.09039361       0.52207229
Li       6.41670632       9.66066904       7.02634195      -0.21105682      -0.62112961      -0.89297625
Li      10.66179112       1.85396655       2.00621587       0.06432492      -0.39911300      -0.55353137
Li      10.70285588       5.63739781       1.01097336      -0.92965192      -0.26779144      -0.37948578
Li       7.63321155       7.23770610      11.32704267       0.95762807      -0.06387479       0.26240047
Li       0.22673566       6.72785998       6.31467091       0.95928125      -0.31830529      -1.09217011
Li       1.69127963       9.63312705       4.10702019      -0.52046427      -0.75596368      -0.08752406
Li       2.64196320       9.17174539       8.44183516      -0.51629194       0.10109261      -0.32336784
Li       4.98805679      10.59901191      10.76102506      -0.61131081       0.88885217      -0.09019855
Li       1.88053925      10.66120009       0.13797241      -0.38536065       0.17363160       0.13532904
Li      10.97405591       9.89645455       2.17848930      -1.27366156       1.03233817      -2.09969400
Li       9.11617675      10.16083409       8.36854744       0.10477141      -1.23430216      -0.07302986
Li       2.19845429       4.89595067       2.98757391      -0.29578963       0.17072623       0.89870271
Li       2.35616474       7.44795911       0.66402812      -0.69250637       0.07106858       0.26199858
Li       8.73862678      11.24949953       5.01018495       0.01324506       0.47824833      -0.91089231
Li       1.57364102       3.72976574      11.74504272      -0.01205226      -0.91911597      -0.46205454
Li       0.96456923       3.43031448       8.40725990       0.54485093      -0.15868298       0.01932921
Li       0.98935940       0.20578483       7.16584867      -0.24945235      -0.39977755       0.39603324
Li       2.76015738       3.06135809       5.19588658       0.25762713       0.94371669      -0.13448703
Li      11.15008829       7.93742651      10.47091207       0.20015175      -0.08401048      -0.10151609
Li       8.64451117       7.89600713       4.00314075       0.87729808       0.60352695      -0.29013613
Cl       8.94711853      10.62971001       2.78920060      -1.56096127       0.76351225      -1.36041952
Cl      11.08566602       9.54506358       4.04238515       1.42702748      -1.17768141       3.82700901
Cl       9.11810350       2.01698444       4.57847300       0.53640439      -1.11936532      -0.41747306
Cl       9.68678075       6.09834210      10.71179226       0.44931236      -2.34220917       0.75007413
Cl       8.64239528       9.39190406       6.03141387      -0.26304918      -0.12959133       2.14857553
Cl      10.98938723      11.48214076       0.29889215       0.16964299      -0.83516654       0.21725457
Cl       9.82420705       0.25906736       8.08737083       0.41211204       1.09090517       0.03793632
Cl       9.42501356       3.29423573       0.68632295      -2.65919212       0.90088914       1.96592606
Cl      10.75836542       3.91303232       7.59375439      -1.04287087       0.27458522       0.05968114
Cl       1.94842496       2.86786669       2.05569690      -0.25773689      -1.16330943       0.32342083
Cl       6.62665200       7.96310086       4.35370429      -2.42213195      -0.78296670       0.08532328
Cl       1.05203576       5.45858759       1.19346688       0.00450776       1.88421298      -0.75821434
Cl       3.20337078       5.06951254       6.46122270       0.98854870      -0.96819977       0.81121321
Cl       1.37758454       2.11816878       6.47895360      -0.14677890      -0.24721521       0.30598025
Cl       0.75685529       4.85206078       4.86512255      -2.00873347      -0.65222838      -1.04259532
Cl       2.91816334       2.96567033       9.79388721      -0.93228763       1.21365369       0.37871150
Cl      11.48665978       2.40678055      11.24328190       3.28298810       1.22726619      -1.42820319
Cl       4.33948411      11.77816405       1.33209888       0.04430486      -1.82332148      -0.86443527
Cl       0.92408723       9.06955630       1.61598241       1.99274202      -0.83337230      -0.71379841
Cl       2.24167040       7.38431700       4.72826364       0.54235311       1.16728398      -0.82240909
Cl       2.04303704      10.53315935       6.08697069       0.47864395       0.03623557      -0.20138814
Cl       2.44568214       8.74842606      10.66564464       0.24773714      -0.52609933       0.13629745
Cl       3.25018036      11.22934541       8.98209568       0.67366978       1.03309108       0.64215672
Cl       5.33105514       3.79999192       1.59022532       0.99957443       1.45555802      -1.52473671
Cl       4.63501093       2.41305728       3.83539462      -1.33022304      -1.02253035       2.47388143
Cl       7.39136208       4.46883693       4.68781355       0.38878529       1.92602027       0.43543843
Cl       6.15625122       1.09104138      10.50892712       1.02198987      -0.30709372       0.23910153
Cl       9.08375284       8.59024279      10.11079749      -1.74412240       3.00731202      -0.73958072
Cl       8.19686504       7.32861833       1.74526431      -0.06366886      -0.51498593      -0.63318965
Cl       4.38012333       8.45031053       7.47048917       1.59163119       0.51754024       0.58336748
Cl       6.29767288      11.33613271       4.10606272      -0.68813482       0.43588995       1.28954129
Cl      11.37021150       7.36184604       8.21590803       0.28860614       0.37780083       0.07404482
64
Lattice="11.7594 0.0 0.0 0.0 11.7594 0.0 0.0 0.0 11.7594" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.32149527 stress="-0.013804880194142452 -0.005097357141512972 -0.0053676606738312475 -0.005097357141512972 -0.022956680532284047 0.004376280048637195 -0.0053676606738312475 0.004376280048637195 -0.016537783073360398" free_energy=-216.32149527 pbc="T T T" config_type=density 
Li       1.51414034       5.20633324       2.91275634      -1.14316604       0.58810015       0.30689452
Li       5.91838843      11.65662284      10.25285623      -0.33530360       0.66209679       0.08860064
Li       2.85069023       9.27896624       8.35343090      -0.06257788      -0.15944975      -0.40522678
Li       2.41342870      11.46195774      11.58485523      -0.29376808      -0.18988344      -0.36708884
Li       8.25220599       4.62051521       4.86801530       0.50506620      -0.60030990       0.25679203
Li       4.08498037       2.30043263       1.00899768       0.20978450       0.36174451       0.26820770
Li       5.72372332       5.47363616       2.68149598      -0.50122079      -0.20428436       0.05382244
Li       6.80978622       1.33545626       3.38118028       0.89428023      -0.46153175      -0.28197305
Li       7.64714958       2.81738761       0.75068482       0.12142168      -0.08287946       0.21175483
Li       7.89419105       7.48501097      11.58930028       1.99086881      -0.08206057      -1.44636913
Li       4.05398259       2.36973077       8.75365032       0.35306688      -0.02908257      -1.52614276
Li       9.10933689       2.02208763       7.23100793       0.22887361       0.35080371      -0.34583083
Li       5.39540087      10.02652306       1.95116669       0.45777663      -0.23424847       0.37421510
Li       6.74587389       8.59581566       5.82934625       0.81296569      -0.46021821       1.18494035
Li       4.12639698      11.21170594       5.60510625       0.10467280      -1.01748067      -0.25286858
Li      10.73857825       1.50768443       2.88747363       0.08671477      -0.36271330       0.13756419
Li       3.56823706       6.68714744       6.71703984      -0.63121521      -0.21751498      -0.34396231
Li       8.86485897       5.35147951       9.43591895       0.04195135      -0.15630810      -0.54041770
Li       1.20689074       9.30785909       4.02112683      -0.10875423      -0.37962774       0.49012250
Li       2.78347350       7.84257905       0.49528829       0.11211872       0.18995822       0.11083358
Li       9.12544727      10.39983697       9.05906546       0.08577489       0.67059407      -1.36070974
Li      11.35707565       7.71053275      10.55736589       2.11794802      -0.33426738      -0.94377999
Li       2.01222149       2.78931792       6.04272056      -0.50464752       0.57710199       0.09942542
Li       0.62627977       0.18663226       7.07258530      -0.18946176      -0.06493540      -0.21060304
Li       0.12278695       4.38295181       8.38972041       0.31810666      -0.32755695      -0.39616610
Li      11.10192019       6.46269577       4.89774306       0.59445288      -0.16372189       0.29050994
Li       0.34283825       1.63709663      10.29157993       0.20461704       0.94127572      -0.39542372
Li      10.48815006       4.55879012       0.62495684       0.26478029       0.19512497       0.84110804
Li       2.53122261       4.63161608      10.98825383       0.29284576      -0.50148759      -0.44896373
Li       9.08125545      10.73128742       5.06709018      -0.44789121       0.06089045       0.09528553
Li      10.94516738      10.07839377       0.90683789      -0.28126153       0.45925004      -0.10836552
Li       8.82609999       7.73024150       3.04968280       0.97878636       0.96938609      -0.52568580
Cl      10.33425480       6.88789216       0.24468960      -2.14253513      -1.55922491       2.88360210
Cl      10.88408906       9.82714243       4.66222580       0.91452368      -2.21946377      -0.38234305
Cl       9.60073870      11.37099878       2.54376989      -0.67976031      -1.12077611      -1.91480764
Cl       8.59868495       9.42437122       6.85749411      -1.10726690      -0.87295401       0.09904957
Cl      10.77084604       5.50075333       2.91336783       0.55996044       0.78911884       0.26129717
Cl      10.15775796       0.16523015       7.69067112      -0.92423035      -1.63045364       1.37780675
Cl       9.29941584       2.94490654       2.22323216       0.20346040       0.47356142      -1.20054490
Cl       9.80047211       8.87065635      10.21843646      -2.13124015       2.15481795      -0.23167241
Cl       8.58391514       4.62829993       7.34296918      -0.52400967      -0.57132974      -0.61259274
Cl       9.47855854       1.06713027       5.02742573      -0.91375328       2.11460872       0.14112517
Cl       6.32392309       2.19065863       9.79427491       0.62351979       0.17587588      -1.01953032
Cl       4.75072704       8.64836841       6.94853538      -0.88990323      -1.01520887       1.37578919
Cl       3.14625099       3.95010005       2.63973835       1.23751493      -1.00757626      -0.06080434
Cl       0.05197631       1.01495381       0.43270594       0.46950479      -1.47659175       1.11885101
Cl       0.24141343       4.42180487       5.51843947      -0.64056267      -1.85312925       0.39048578
Cl       3.05616223       0.89022068       6.67042557       1.93511811       3.47384029       2.11347617
Cl       3.30901284       2.34491844      10.62562921      -0.94054769      -0.29034885       2.02368877
Cl       2.35795961       4.15189136       7.87277719       1.93065828       1.23108524       0.41024884
Cl       0.52678349       4.10849917      11.21972586      -1.91798719      -2.60314516      -1.37450174
Cl       0.25582575       2.07433464       8.23275594       0.55841547       0.96428139      -0.03221496
Cl       5.69935784       9.67358818       4.49013874      -0.34269828       1.81983358      -2.58346100
Cl       3.26857227       9.86338490       1.30509349       0.90423463       0.73574143       1.12435685
Cl       1.63956610       6.85195543       5.34090781       1.13651003       1.67125324      -0.40859761
Cl       1.85085900      10.79989176       5.50355207      -0.62479428      -2.46431063      -1.45792445
Cl       1.35328351       8.97235164      11.11623138      -0.87838465       0.73519795      -1.20186584
Cl       3.87308774      10.77359774       9.45266434       0.47721104       0.60880699       0.88961806
Cl       6.45554606       3.37204323       2.85713438      -1.23226781       0.14683134       0.36784814
Cl       6.43981198       1.02515039       0.79170748      -1.00447378      -1.69007301       0.70726481
Cl       6.99279777       8.09605291       1.42275805      -1.69046911       1.47651570       0.83428100
Cl       7.75742923       6.01328678       3.27812090      -0.58935465      -0.33464723       1.22692703
Cl       1.74216687       6.02303533       0.64905773       1.57868617       2.07404445       1.49371902
Cl      10.82235221       6.07447094       9.21775856       0.36731544       0.06705453      -1.26907357
64
Lattice="12.0252 0.0 0.0 0.0 12.0252 0.0 0.0 0.0 12.0252" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.90156705 stress="-0.021446435407878345 0.0012610074718174293 0.006069597860655539 0.0012610074718174293 -0.01455858251654748 -0.0023520662897442276 0.006069597860655539 -0.0023520662897442276 -0.008760261595248963" free_energy=-218.90156705 pbc="T T T" config_type=density 
Li      10.56378947       7.09615470       8.03101779       0.34390198       0.70596618      -0.64439655
Li       1.01356442       6.20240576       5.35525447       0.17328993      -0.13476670       0.02574661
Li       1.38117840      11.31988594       8.27101674      -0.26215716       0.01637729      -0.45361805
Li       0.71626420       6.92592597      11.54131798       1.25224991       0.85038345      -1.03728175
Li       3.79660817       9.03569920      10.69571794       0.47031109      -0.14532747      -0.05010169
Li      11.61967418       0.64662988      10.95282874      -0.42653408      -0.12138588      -0.05469379
Li       5.55986325       1.44812268       2.87545380       0.00406230       1.20624631       1.25234834
Li       8.41147107       0.55399615       4.82917602       0.48611597       0.27724658      -0.30512069
Li       4.72079289       4.57801769       5.59103256      -0.57491515      -1.56604599      -0.18830935
Li      11.30534748       2.19655911       7.33028534       0.56300187       0.46348762      -0.78414680
Li       9.55643847       4.50234311       5.15219694       0.21537343       0.21750315      -0.22476554
Li       6.79700380       0.14942995      11.45692512      -0.00420577      -0.68303688       0.34931892
Li       5.83995420       9.95688965       2.22990499       0.30749545       2.22009796      -0.52285271
Li       6.65573175       6.62545229       3.19588930      -0.71551608      -0.32434796      -0.07756930
Li       6.98605197       6.71223816       7.58424554      -0.29317557       0.70109418       0.21958964
Li       4.48800907      11.72564024       6.16974531       0.06154349       0.80060019      -0.22230344
Li      10.01374480       4.76772725       0.62363168       0.33859896       0.35769222       0.90983525
Li       3.54945423       8.33847811       6.84785837      -0.12796894      -0.35715198       0.46035343
Li      10.91944678       2.12997558       2.57442697       2.47681047       1.76748986       0.28832778
Li       9.88401694      11.29668933       1.47289460       0.63748959      -0.23825948       0.02010390
Li      10.11462420       7.16918374       3.06309502       1.63042183       1.08902112       0.72202450
Li      11.05960049       9.09222967       5.53487488       0.43929977      -0.27629142      -0.00465449
Li       3.39968037       7.12143167       1.47171613       0.27495471      -1.10053813       0.27459013
Li       0.55873529       9.24953131       2.10621378      -0.41539862       0.21322931      -0.00922870
Li       9.35368157       9.02372211      11.52396561      -0.17995413      -0.08565432      -0.57170291
Li       3.50063192       2.66305269       8.59287121       0.13259119      -1.00763450      -1.65571397
Li       1.53290034       5.33764957       8.69674489       0.15778639       0.13244225      -1.27692431
Li      10.08637700      10.36901730       8.80476726      -1.45563644       0.25568612       1.56841457
Li       2.62272017       0.46776825       1.30995314      -0.58404629      -0.16543389       0.34412675
Li       2.03571003       1.96691386       5.32820979      -0.36996826       0.43825186      -0.68094026
Li       0.70172453       4.51867333       2.18164786       0.22464860       0.56783638       0.42269016
Li       3.34358281       3.89913502       0.08973024       1.79141950      -0.84197501       0.19308231
Cl      10.93284286       5.02850573       3.40097909       1.60443002      -1.80495440       1.31193621
Cl       0.20899798       2.89034100       0.93431355      -1.12487054      -0.85260497      -0.93213575
Cl       8.90149797       8.24962391       9.07503363      -0.56694609      -0.60565208      -0.00960763
Cl      10.05184063       2.14170015       5.25779022      -0.04154245       0.42348753       1.13357833
Cl      11.23328045       9.63728388      10.69615085       1.20375877      -1.36463367       0.07625067
Cl      10.63838178       9.73640761       3.33658414      -1.40808807       0.46630992      -0.47338871
Cl       9.75854600       7.06871319       5.73504636      -0.15570939      -0.19310673       0.52155240
Cl      11.59327887       6.56326998       1.02246067      -2.70566291       0.68311863       0.45953536
Cl       9.42974096       1.01255671       2.62104867      -3.45750377      -1.69423801      -0.25146189
Cl      10.99815172       0.58029406       8.62215258      -0.55072760       1.11174832       1.42269568
Cl       2.70366179       1.94958555       3.09052450      -0.26380773       0.03255466       0.26069729
Cl       5.24901183       7.96216150       9.07700577      -0.24694929      -0.45281841      -0.32197119
Cl       1.99440347       5.24194101       0.50385708       0.09959044       2.16227547       0.25144374
Cl       1.88487795       1.32425110       7.35276044      -3.00510244      -1.83987556       2.38877486
Cl       0.67060572       4.11408547       6.60567084      -0.39719207       0.27724961       0.25968552
Cl       2.65700402       3.86892772       9.94781062      -0.21612863       0.33391740       0.40517249
Cl       0.06699347      11.53031492       0.80171407       1.45840024       0.52819138       0.86877579
Cl       2.46801597       8.99527048       1.12574030      -0.30762792       0.51102577      -1.42712560
Cl       3.65645446       6.26063178       6.04031809      -2.34392367       0.56547148       0.09354956
Cl       1.05704514       7.42221799       7.25406962      -0.42847038      -0.43647521       1.56154093
Cl       8.61521404       6.01961069       2.46436031      -2.68541646      -0.35862747      -1.61484209
Cl       0.87961452       7.91432525       3.85096207       0.63666408      -0.60835252       0.62481145
Cl      11.57591207      10.08726687       7.62003253       1.65054446      -1.32916043      -2.89279425
Cl       4.90093039       0.67178539       1.19426109       0.14321734      -0.18479796      -1.80877453
Cl       5.19981673       5.10384361       1.52519219      -0.24637523      -0.77882381      -0.13068299
Cl       6.16985354       0.53081999       4.75620710       0.42783049      -0.76264645       0.06341998
Cl       3.94236562       2.21749498       6.28860239       3.95203356       2.02620738      -0.93435810
Cl       9.36555044      11.82341714      11.31725243      -2.23702506       0.34182171       0.20753498
Cl       5.22716204       8.16347537       2.15297978       0.35519674      -2.02051938       1.40215802
Cl       5.39557496      10.05627793      11.85982945       1.06627207       0.68593672      -0.71478150
Cl       3.54373024      10.50574383       7.64099246      -0.15421824      -0.31108458       0.25812163
Cl       6.27876578       5.88103229       5.57808142       3.37345983       0.21625325      -0.34553862
64
Lattice="11.7773 0.0 0.0 0.0 11.7773 0.0 0.0 0.0 11.7773" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.04018716 stress="-0.00751484299152245 0.006188025721564692 -0.004211694536293162 0.006188025721564692 -0.019473869987205846 0.001525900214908441 -0.004211694536293162 0.001525900214908441 -0.00400993029519558" free_energy=-223.04018716 pbc="T T T" config_type=density 
Li       1.83271276       5.56009866       2.55570943      -0.74665640       0.20949163       0.44973648
Li       5.52650980       5.77873246       3.25577570      -0.08108786      -0.59014975      -0.84094860
Li       6.51411885       1.38834346       3.75586341       0.14142759       0.00500568      -0.00857939
Li       7.70341416       3.20160012       0.35584288      -0.34867635      -0.25546295       0.22457584
Li       8.05408326       8.09822458      10.94579907      -0.03761333       0.20848056       0.59776699
Li       6.19707393       8.51719026       6.24008463       0.37472318       0.51755834      -0.13493389
Li       5.53155049      11.75985782      10.57296508      -0.13835383       0.26929855      -0.94954898
Li      11.03859241       5.18548630       1.05093441      -0.47748161       0.09872619      -0.32875349
Li      10.42792763       1.15278450       2.58903919      -0.02048331       0.11296636      -0.15094709
Li       4.07330876       2.40551352       1.66787767       0.65391568       0.36517997       0.21055783
Li       8.68487545       1.62372457       7.66514971       0.14697509       0.05998997      -0.04915757
Li       9.40387962       5.35042739       8.52616456       0.09817277       0.07752815       0.41488036
Li      11.38715338       1.54832630      10.48337516       0.18211028       0.25737250       0.05745100
Li       8.77293432       7.22666905       3.32928961      -0.02401299       0.05124107      -0.04039304
Li      10.62300683       9.85332494       1.03538366      -0.15591901       0.29465927       0.01026323
Li       9.72112475      10.22930347       5.16873898      -0.32725987       0.02656820       0.04655035
Li      11.32799600       6.08037267       6.01732878      -0.36429473      -0.21387378      -0.02763528
Li      11.62146277       7.81773641      10.00098873      -0.10728923      -0.41593127       0.47539947
Li       9.41566869      10.22734843       8.63554034      -0.17062711      -0.01940549      -0.71156581
Li       9.21683254       3.62252082       4.20679267       0.08843627       0.20488311       0.47692348
Li       2.44330688      11.62130966      11.59320902      -0.10042289      -0.80999937      -0.08396190
Li       5.77869713      10.16018249       1.78436695       0.07884236      -0.20963356      -1.10580651
Li       3.61836343       2.19782084       8.85998035       0.38850599      -0.12129833      -0.15795159
Li       3.86713534      11.25079580       5.37214473       0.13740357      -0.25956289      -0.05018761
Li       0.71650502       3.95075417       8.51644829       0.08792687      -0.33568805      -0.42182264
Li       0.92396216       8.73992255       4.36894254       0.36892048      -0.26205342       0.60692683
Li       3.56772104       6.50627517       6.40607390      -0.55236946       0.03050569       0.39897215
Li       2.98183570       9.53671578       8.64462064       0.13125910       0.49819074      -0.28841150
Li       0.64892923       0.11892129       6.75085436       0.18215132       0.46283920       0.20180992
Li       2.15452748       4.99295100      11.07281725      -0.19085589      -0.52686938       0.25146493
Li       2.81466870       8.58403821       0.32066526      -0.62659760      -0.17831451       0.15079393
Li       2.23169235       3.49042662       5.67298408      -0.29247022      -0.40164080       0.35751418
Cl      10.03834632       0.33836418       9.22322761      -0.09607639       1.43155529      -0.87332718
Cl      11.70662442       3.79627133      10.63041475       0.37901960      -1.53518454       1.54664748
Cl      11.51791674       5.84090483       8.91569876       0.25085876       2.26509941      -1.98416970
Cl       3.34712044      11.69423470       9.44457019      -0.63306338       0.63664981      -1.26706176
Cl       0.30539246       2.31399213       6.98726010       0.41414195      -0.59563259      -0.06432708
Cl       2.91794385       4.41028086       7.76529209       0.39641563       0.14968019       0.50370486
Cl       1.00629020       4.91739962       4.51453352       1.50981130      -2.69221048      -0.47572137
Cl      10.84686975       8.40287978       5.49976355      -3.02831960      -0.32748052       1.54976692
Cl       8.05933594      10.22838484       7.00082755      -0.59617466      -0.29990921      -0.63883690
Cl       2.71463232       1.87101254       0.20200072      -1.35677155       0.93336741      -0.61696173
Cl       3.36485705       4.77584825       1.41606722       1.34801348      -0.27772430      -0.03889693
Cl      10.00365040       9.25662804      10.31428846      -0.25609663       0.92541714       0.35806302
Cl      11.38677651      10.02879493       3.37059260      -0.73283260       2.13414325      -1.74040162
Cl       3.40875105       1.54027063       5.87182024       0.64710112       0.26463501      -0.42276475
Cl      10.58907643       5.84421425       3.28977676      -1.76808950       0.82454333      -0.69698104
Cl       8.50235086       1.44698263       5.16671329      -0.11398561      -0.33206951      -0.82846120
Cl       6.10632984       3.51990521       2.43534543       0.17708274      -0.24292263       0.44135227
Cl       2.10558103      10.28465678       6.50341328      -0.13801085      -0.16054435      -0.18850450
Cl       5.30613296       0.42905999       0.81044666       1.43147044       1.31677688       2.40324240
Cl       6.07625061       2.06041508       9.70098556       0.39507701       0.34773084      -0.16123350
Cl       7.37201271       8.12593657       1.61284235      -0.05579949       0.21560933      -0.27656833
Cl       1.35347087       7.19337463       5.89128812       3.65091021       0.64356891       1.34725721
Cl       9.49872221       3.84277989       6.97926331      -0.79909231       0.70113040      -0.17156045
Cl       5.77814359      10.21860968       3.84261500      -0.46337232       0.59225832       1.66950228
Cl       4.52505065       8.20522136       7.69873857       0.27819832      -0.35430477       0.10500621
Cl       6.51132763       6.72291860       4.88073689       0.21838607      -0.06126160       0.33882105
Cl       1.24715718       6.64615416       0.53241169      -0.45469754       0.66132887      -0.26567540
Cl       4.34610636       9.94883884      11.40848207       0.07795270      -2.83005069       0.28039052
Cl       9.33805629       3.25088812       1.99169453       0.24403524      -0.50050570      -0.39479833
Cl      10.89201214       0.51107122       0.54938396      -0.56656725       0.00902403       0.77097083
Cl       0.86978540       9.85291273       0.30617093       1.71187294      -0.42184912      -0.65811691
Cl       9.66230891       6.73027941      11.23536754      -0.36969670      -2.57147007       0.86866155
64
Lattice="11.7968 0.0 0.0 0.0 11.7968 0.0 0.0 0.0 11.7968" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.88749015 stress="-0.004628224762322035 0.0027877257675685096 -0.001872056252139265 0.0027877257675685096 -0.014896960921875412 0.005090780875286631 -0.001872056252139265 0.005090780875286631 -0.00702676253906301" free_energy=-222.88749015 pbc="T T T" config_type=density 
Li       1.74370860       6.20584820       2.94300668       0.11721868      -0.01037681       0.07433781
Li       8.55662013       2.50945069       7.00501062       0.37212495      -0.35360820      -0.19875102
Li       3.41152839       9.82251115       9.01411183      -0.04889119       0.10555700      -0.31521680
Li       4.17929952       2.60931060       1.35255031       0.09981362       0.18295176      -0.47509966
Li       6.06254068       5.07720116       2.67839266      -0.18247327      -0.16404613       0.33146984
Li      10.12743483       1.67814199      10.67703595       0.07695862       0.33414241      -0.44752366
Li       7.41162272       2.91353827       0.62086440       0.24982568       0.06774265       0.65147360
Li       7.07002279       1.57732653       4.05417087       0.41073869      -0.25942850       0.60543717
Li       5.58224576      11.50793176      11.18626841      -0.16952569       0.24369835      -0.40698584
Li       7.45261660       7.56900383      11.59703299      -0.32709839       0.67611803       0.20273499
Li       6.20162495       9.96852014       2.45546853      -0.62117914       2.23174302       0.70245553
Li       6.31107566       9.34546035       6.74144652      -0.43827141      -0.17323311       0.03334286
Li       9.47279501       5.16410818       8.65506443       0.25349120       0.46391496       0.11449626
Li      10.41282302       4.06502392       4.36426155      -0.15387921      -0.02803200      -0.39875323
Li      10.26085664       5.20549136       0.78474555       0.53034414      -0.36556036       0.46837132
Li      10.08717235       1.28685393       2.44499297       0.24433935      -1.30310608       0.03745231
Li       1.41365773       9.29333029       4.51520161      -0.70138450      -0.20716900       0.63213755
Li       3.99526944       6.12646753       6.79881435      -0.32971086       0.38013932      -0.23648946
Li       3.85508807      10.78964820       4.62136101       0.47758610       0.90218738       0.20958317
Li       8.20404917       7.48318211       4.04546483      -0.18734971      -0.10260494      -0.04417501
Li       9.26766045      10.37858870       8.06062368       0.21242802       0.66276211      -0.76089185
Li       2.66016660       3.04246550       4.74847153      -0.11610299       0.11201434       0.32685077
Li      11.15944249       7.71616891       9.63507179      -0.17843270       0.29611789       0.56952038
Li       0.78173383       0.35865575       6.70188005       0.08182586      -1.39035551      -0.18247316
Li       0.76628238       3.46969841       8.38895221       0.41799908       0.16658885       0.61138479
Li       2.01103589       4.40984439      11.52096722       0.13133328       0.32215106      -0.08774458
Li       3.87603919       1.58014597       8.22148484      -0.56311382       0.35276352      -0.04384862
Li       0.41748875       5.67722180       6.25250455       0.53229854      -0.14354299      -0.39655269
Li       2.88104989       8.25564837       0.61475366      -0.35090205       0.12253407       0.05997133
Li       9.39933634      11.08680959       4.96651178       1.28348875       1.08082440      -1.38488617
Li      10.66252588       9.60271317       1.18776081       0.41913866      -0.04491966      -0.43715156
Li       2.10550466      11.64304287       0.27427560       0.56480166       0.12923076      -0.36201649
Cl      11.73990403       3.83642553      10.75780864      -1.04114701      -0.49536874      -0.17361123
Cl       9.08878558       0.83787362       8.55135876       0.15704181       0.70426200       0.09795846
Cl       9.94857175      10.66532172       2.81301774      -0.74022410       0.50727709       0.70401983
Cl      11.03370040       9.66146123       5.56672117       1.74076002       0.11980443       0.48260723
Cl       8.22654567      10.07164776       6.11924789      -0.36503525      -2.86207735       3.70069438
Cl      11.37347183       6.31298674       8.13739725      -0.05580057      -0.20721482       0.23735737
Cl       9.37285252       4.56197592       6.38291817      -0.33394544       0.26082947       0.62348320
Cl       9.34252295       1.87362676       4.86925896      -0.03805010      -0.73707542      -0.10311830
Cl       9.33555104       8.94753069       9.50264091      -0.18153682      -0.43820834       1.05904030
Cl       9.54115747       6.40123860       2.61021895       0.54430319      -0.19810061       0.71216395
Cl       7.07096653       8.30763687       1.96131237       0.36982584      -1.40927335      -0.87012797
Cl       9.27436104       3.12612841       1.88485731       0.12221920       0.89727614      -0.74279208
Cl       3.88091126       5.03472088       1.82517730      -0.23427109      -0.09537320      -0.25577926
Cl       0.94010823       4.36561818       3.90495314      -0.71058706      -0.73305967      -0.24791237
Cl       3.78092159       1.19927448       5.35028528       1.43127937       0.71879384      -0.82526067
Cl       1.41180563       2.31144140       6.56967331      -2.01648285      -1.38785291       0.12336429
Cl       2.31061562       4.64881216       7.30421286       1.42694479       2.18938208       0.14008232
Cl       3.11403669       3.21678681       9.98659284       0.24548019       0.28622780       0.42336939
Cl       0.97663938       6.73561890       0.70170787       0.24824110       0.12276271      -0.14307529
Cl       1.64053379      10.08245363       1.79423430      -0.07283506      -0.59889372       0.60223543
Cl      10.51342613       0.01358720       0.10322754       0.54831095      -0.06574768      -0.23550334
Cl       1.94461990       7.00934005       5.26946540       0.38786479       1.26004825      -0.99555874
Cl       3.08106463       0.13790459       9.74407422      -0.59196437      -0.02621522      -0.52358967
Cl       6.03626920       2.38409789       2.48006486       0.34286011       1.61735887       0.29124724
Cl       4.39774087       0.40376435       1.02090687      -1.68142608      -0.87721474       1.59666631
Cl       6.13159914       1.92935484      11.15520744       0.74198838       0.28076881      -1.87124380
Cl       4.41019829       8.39795317       7.56783595       1.17929925      -1.11175407       0.30311585
Cl       6.13243672       6.16371003       4.65238659       0.15166024       0.18186721       0.29198171
Cl       6.73044010      11.25618805       4.49681040      -2.72156906       0.60451241      -2.56656439
Cl       4.20754106       9.62083305      11.16247427       0.59657566      -1.75427730       0.25579800
Cl       2.78542503      10.53154601       6.53647712      -1.50369619      -0.21724044      -0.31015245
Cl       8.98210711       6.21418854      11.20212331      -0.05352379      -0.82342215      -1.23335557
64
Lattice="11.8074 0.0 0.0 0.0 11.8074 0.0 0.0 0.0 11.8074" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.04191523 stress="-0.0066584346891001645 0.0030952417015820684 0.0008426681943004919 0.0030952417015820684 -0.010830482697554041 -0.0016333067940370737 0.0008426681943004919 -0.0016333067940370737 -0.008688428709594612" free_energy=-223.04191523 pbc="T T T" config_type=density 
Li       6.37030483      10.03377502       2.29633857       0.38609407       0.97057850       0.48838179
Li       1.17609143       9.51762634       4.52352121       0.21088393       0.35185272      -0.22375345
Li       3.01961267       9.37544163       8.92513101       0.27238148       0.52370706       0.27678456
Li       4.07035319       2.12684335       1.28496392       0.07153582       0.27061789       0.62819792
Li       5.78507105       5.59683748       2.99946924       0.48992622      -0.13992881      -0.07179588
Li       9.69389901       1.43036024      10.55446956       0.34366560      -0.32930242      -0.15038164
Li       7.34186493       2.74281179       0.61077437       1.48908066       0.13886899      -0.52947317
Li      10.50987301       5.45304696       1.24853809      -0.23279911      -0.21726716      -0.15435609
Li       6.95747503       2.30095527       3.86818689       0.06895703      -0.76960524       0.30379234
Li      10.43728111       4.37367349       4.09911602      -0.27562318      -0.30056250       0.05206838
Li       6.28335514       9.29624940       6.41969519      -1.03818635      -0.58109909       0.25672553
Li       8.93491934       2.34140742       6.76775372      -0.06769394       0.57634850       0.37807214
Li       4.17089321       6.60625211       6.51162760      -0.25285587      -0.12666673      -0.22547639
Li       7.70957099       7.21772193      11.65555684      -0.14004750       0.39935377       0.20539214
Li       5.32292942      10.79204625      11.21326344      -0.21952244       0.56551995       0.19690315
Li       9.38515912       5.35702919       8.66902850       0.77735058      -0.00039263      -0.48878393
Li       2.10411410      11.45834964       0.27656355       0.10195351      -0.69273080       0.10862916
Li       4.52844489      11.22769208       4.66759510      -0.69254531       0.54523432       0.02783549
Li      10.54551955       1.25473698       2.02676382      -0.35681821      -0.66014754      -0.02835661
Li      10.44819115       9.52991784       1.67887059       0.25033007       0.69839394       0.10030004
Li       9.17034709      11.36322923       4.51977826      -0.32813215       0.48583305       1.02459279
Li       2.88702737       7.84608814       0.77675217      -0.91768906      -0.18615402       0.46004568
Li       0.76480899       6.08782460       6.20842538       0.27480534      -0.31490121      -0.35453189
Li       2.73968283       3.01895145       4.90931619      -0.83326460      -0.34179804      -0.57936115
Li       1.67192784       4.06576012      11.70236137      -0.55516392       0.05243199      -0.81599266
Li       1.04728096       3.41945846       8.61747739      -0.51681576      -0.03443345      -0.42420681
Li       3.95159437       1.58605262       8.21191682      -0.90481960       0.14036829       0.19764579
Li       2.23757314       6.01533897       3.05061890      -0.50880602      -0.20080176       0.13821297
Li       7.96675977       7.59871131       4.19267786      -0.01447678       0.50788940       0.06925726
Li       0.76860743       0.29220954       6.99660475       0.23166293      -0.36233931      -0.61261191
Li      10.94322820       8.13286628       9.86235519       0.19916325      -0.76175395      -0.09115784
Li       9.44105535      10.60912601       8.24522549      -0.66074411      -0.44175160      -0.39271821
Cl       9.02093625       9.02236495       9.95838477      -0.50003616       0.58044247       0.03023676
Cl      10.70983133      11.51480318       0.08630466       0.52019404       0.37613206      -0.18922243
Cl       8.68434270       5.94895776       2.96527501       0.92368224      -0.23404389       0.09612292
Cl      10.31395282       3.98832719       6.34371457       0.25933258       2.17376151       1.94091228
Cl      11.02295177      10.28737436       4.98275822       0.71166021       0.09682873       0.56998482
Cl      11.39654971       2.83396492      10.30186204      -0.26293776       0.35847421       0.19026771
Cl       8.09435054      10.11151495       6.15563449       1.29491040      -0.14603507       0.86382445
Cl       8.77720790      10.92073510       2.55931299       0.63650626      -1.03781253      -2.04451123
Cl       9.48718686       1.89697688       4.89369500      -0.54362424      -1.97290496      -2.46548215
Cl       8.88234099       0.95328225       8.30393189      -0.00973453      -0.35435578       1.29090400
Cl       3.04297951       4.26627338       1.46392868       1.27046513      -0.39725519       0.97283451
Cl       3.94697767       9.00927054      11.27307973       0.23286761      -1.90404857      -0.88741539
Cl       0.95742546       4.52027417       4.11373358      -0.86413855      -0.03547917      -0.31685051
Cl       4.37155997       1.76204192       4.52065201      -0.23351967       0.15945828      -0.05680820
Cl       1.77501825       2.18819460       6.84610763      -0.97573459      -1.12644065       0.55849112
Cl       3.22255826       4.45046882       6.25532437       1.59194050       2.90579787       1.12552100
Cl       2.75592981       3.30426547       9.82973134       1.18043911       0.07458642       0.45084746
Cl       3.37991548      11.52575927      10.17054014      -0.67040718       1.29536619      -1.30618495
Cl       0.92165022       6.18287417       0.79934917      -0.72442566       0.67278275      -0.27620641
Cl       1.03714785       9.38938617       1.95395940       0.16454718       0.18376480      -0.17117753
Cl       9.33975967       3.08105838       1.90140466       0.55137390       0.10117894      -0.84139646
Cl       2.20023815       7.66747760       5.00016233       0.28880085      -0.80385293      -0.13239940
Cl       6.06962939       3.12015268       2.06653115      -0.64929822       3.13466756       3.37273933
Cl       4.54211786      11.01329567       1.57343051      -0.94077030       0.40459363       0.76918942
Cl       5.72053180       1.59463660       0.05112604       0.21372607      -2.13164630      -3.67233465
Cl       6.49749415       7.92288347       1.94549349      -0.17740130      -0.76317444      -0.55753678
Cl       9.31575522       5.89849294      10.85629032      -0.10828669      -0.37572463       0.46470248
Cl       4.57560365       8.53014986       7.70463549       0.21035691      -0.24894769       0.53643581
Cl       6.14062729       7.21916243       5.39428153       0.09516413      -0.73072666      -0.68235105
Cl       6.54009525      11.71171283       4.08545486      -0.00897170      -0.30772690       0.33631415
Cl       2.75334399      10.86559455       6.39724932      -0.29478145      -0.06503126      -0.07668771
Cl      11.31576348       6.73060764       8.03958782       0.16631429       0.35200909       0.33735713
64
Lattice="11.8316 0.0 0.0 0.0 11.8316 0.0 0.0 0.0 11.8316" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.61654218 stress="-0.009218893022309167 0.0027622014904887574 0.0007292297833035512 0.0027622014904887574 -0.020626657168108395 0.005287744777957005 0.0007292297833035512 0.005287744777957005 -0.011233440643400008" free_energy=-221.61654218 pbc="T T T" config_type=density 
Li       6.93767163       2.60010058       3.47540235      -0.45254775      -0.43366391       0.47347633
Li       4.62750440       0.08750604       5.67643490      -0.01100281      -0.19356021       0.17605440
Li      11.25618197       0.73719623      10.48502194      -0.21670067       0.79264065      -1.13267328
Li       4.20784938       1.90733674       9.78760828      -0.05074241      -0.16437016      -0.05972898
Li       7.26472072       2.67210770      11.58553821       0.03286614       0.09527171       0.51447042
Li       6.59971381       6.22550396       2.93226092      -0.16612090      -0.28799379       0.38349681
Li       6.91992423      11.32779864       2.11711101       0.01811340      -0.14703481       0.77134376
Li      10.75320882      10.21606601       1.98373338       0.79464685      -0.87073996       0.00768297
Li       9.23128645       5.80451197       8.43803682       0.20873022       0.58247795      -1.48270379
Li       9.56520969       4.34837330       4.52477062      -0.93933843      -0.38344170       0.23736411
Li       3.99633587       6.83871213       5.83252920       0.09395086      -0.08966830       0.30937080
Li       5.09213133      10.55870915      10.35895624      -0.36506090       0.86497659      -0.22200506
Li       7.76047659       7.35468820      11.06912437       0.81971070      -0.19242423       0.34473778
Li       9.93769212       5.10241299       1.07014456      -0.01825232       0.13689057      -0.19651481
Li      10.46916760       2.27580826       2.15527975       0.22648164       0.07664244       0.16001963
Li       6.07506517       9.32010627       6.44816284       0.86393258      -0.04397433      -1.05675196
Li       2.07975865       9.14486844       7.90411221       0.09032603      -0.46594824      -0.33836579
Li       9.85094283       2.22292101       7.24244181       0.19880615      -0.58289677       0.36129803
Li       0.37852956       6.69373953       5.60910126      -0.23275153      -0.98793932       1.50843317
Li       1.60374972       4.81864390       3.34209572       0.13183600      -0.03593948      -0.49758995
Li       3.84274987       2.17548812       1.97907173      -0.48059919      -0.93673475       0.46221832
Li       9.41359957       9.68222422       8.32789646       0.41226704      -0.01137218      -1.00911018
Li       2.56440465       2.99397455       5.72434105       0.40108150      -0.43333178      -0.55774395
Li      11.50304830       7.81046510      10.68936550      -0.95097436      -0.26318139      -0.01166948
Li       9.22845869       8.44020201       4.16834367      -0.17089544       0.18625320       0.24817568
Li       1.07772151       4.11007304       7.98446061      -0.20144505       0.70105876       0.15064307
Li       0.78845309       0.04602492       7.57682649       0.17382460      -0.01739848      -0.34080421
Li       2.41779929       7.14595512       0.40218211      -0.22184943       0.53220089       0.04288981
Li       1.57387493       3.36351091      11.66103565       0.56398233       0.04275399       0.11862541
Li       8.93279884      11.74850667       5.25084042      -0.16285993      -0.04342454      -0.20202492
Li       2.19096386       9.41350492       3.98955636      -0.31152308       0.53668146      -0.07591211
Li       1.67967309      10.51107512      11.61687184      -0.20467156       0.04277085      -0.25098500
Cl      11.35943634       8.11133085       4.51471376      -2.41509011       2.75344475      -1.97379115
Cl      10.16607750       0.03360849       8.23059338       0.71168403       0.54499152       0.58833271
Cl       8.43255879       9.82517361       6.15929433      -0.03345610      -1.37371919       1.06990229
Cl      11.44496698       5.23782566       4.16342172       0.01187338      -1.10771704      -0.51797831
Cl       9.03711806      10.60707673       3.07963533      -0.70155086       0.25887911      -0.31126689
Cl      10.40041417       4.19503576       7.70948239       0.41356809       0.32976702      -0.11773325
Cl       9.63888507       2.01285095       5.15500446       0.12570878      -0.00317596      -1.01515321
Cl      11.16724383      11.58351501       0.41767441       0.09893858       0.57300461       0.04991991
Cl       8.18443831       7.03883181       1.52485661      -0.10504229       0.31992148      -0.06913846
Cl       9.45222975       8.55895578      10.11347421      -1.05379556       1.71302871       0.98330664
Cl       1.74794143       2.70335496       2.53745226      -0.30869564      -0.44840613      -0.00784426
Cl       4.95632823       0.04306702       1.22180201      -0.25767543      -0.60096913      -0.16187188
Cl       8.49222555       3.67090771       2.21682773       1.34520328      -1.32519441      -2.19365505
Cl       1.46908245       5.34958695       0.78302120       0.82474338       1.15399589       0.50139701
Cl       1.20743844       2.14789683       7.22283685      -1.10574329      -1.42347437      -2.00813806
Cl       2.59108491       5.10699182       6.49040165       0.10824713      -0.59459271       0.32083614
Cl       2.25455871       2.91873740       9.55374487       0.63305181       1.74432567       2.28820278
Cl       0.77710659       8.98252706       1.12898784       0.29780534      -0.26961372       1.32253727
Cl       2.11575038       7.69621917       5.16412662       2.18401999      -0.06319323      -0.24399640
Cl       2.77307858      10.71144327       5.79688059      -0.94011382       0.23379733       0.37803906
Cl       1.68465420       8.05261062      10.33383776       1.84206545       0.52280621      -1.45969102
Cl       2.84538148       0.12778128       9.34593465       0.05412041      -2.18230376       0.58249470
Cl       5.20073359       3.62024480       2.45609818       0.05902531       0.97773583      -1.79861402
Cl       3.97895525       1.58938615       4.43571417      -0.51780876       0.90173473       0.24151236
Cl       7.07407815       4.54721516       4.33791416       0.63034335       1.25768335       3.01521358
Cl       6.30800571       0.99665967      10.35440108       0.24680650       0.28544184      -0.48694443
Cl      11.24316721       8.01487965       7.67756073       0.54487763      -0.09092225       0.21427528
Cl       4.43986706       8.79350542       7.63087324      -0.05837442      -0.31871736       1.53564151
Cl       5.78193728       7.50899593       4.75073052       0.34763088       0.59303167      -0.39487479
Cl       6.67923399       0.03336511       4.85835075      -0.20133967       0.41414096      -0.55332307
Cl      11.39383080       3.36312047       0.43931796      -2.24184980      -1.14543844      -0.79318234
Cl       9.38673001       5.79320096      10.40291064      -0.41239785      -1.63587373       2.17986827
64
Lattice="11.8707 0.0 0.0 0.0 11.8707 0.0 0.0 0.0 11.8707" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.80729724 stress="-0.00523247020407402 0.002535546185895263 0.001057180199742433 0.002535546185895263 -0.011853880354662083 -0.002224498787293751 0.001057180199742433 -0.002224498787293751 -0.008297846396835902" free_energy=-221.80729724 pbc="T T T" config_type=density 
Li       6.89136870       2.26619972       4.14395453      -0.46865383      -0.60323495      -0.26639572
Li       7.51173148       8.68515017      11.67294601      -0.19175343       0.30841975      -0.23952250
Li       1.78855837      10.50264931      11.75621897      -0.24138303       0.01243626       0.39285372
Li      11.04988858       2.20212169       7.81641673       0.64211406      -0.07340084      -0.42615955
Li       0.16950173       7.78002117      11.27735493      -0.47989712       0.21827419      -0.68355188
Li       2.92109437       8.16041775       7.90566066      -0.17625973       0.26597409      -0.52456994
Li       9.53929452       4.34096067       4.62613050       0.89406947       0.03084628       0.13969517
Li       4.00069893       0.43534368       5.68599408      -0.11098180      -0.11782031       0.26117747
Li       4.31187746       5.20293968       5.44097096      -0.35615439       0.12462766      -0.04524821
Li      10.24593355       9.72289864       8.72207992       0.25401202      -0.09405223       0.12999413
Li       6.77663838       1.78970983      11.86972660       0.01633797      -0.56984180      -1.26436947
Li      11.44707033       1.55478867       2.55978588      -0.64249749       0.86812910       0.29117187
Li       6.90827257      11.02824829       2.70849014      -0.34046555       0.77224863      -0.10229120
Li       9.78602702       4.63500978       1.41365792       0.52166177      -0.33793206       0.47032654
Li       6.58280172       6.76382989       2.69768780       0.17384242       0.14458920       0.72717282
Li       6.00769005       8.37274896       5.79880134      -0.05692380       0.27559205      -0.48566070
Li       0.98414513      11.07592102       6.65892852       0.50446821       0.15164480       0.11136518
Li      11.63511409       1.11750295      10.74030072       0.32183505      -0.26874627       0.21372370
Li       4.66866322      10.80414135       9.85684762      -0.23441323       0.13892860      -0.01753201
Li       1.58356325       9.05388973       3.30648852       0.07558996       0.65840988      -0.12022265
Li       1.17464969       3.94680595       0.41265877      -0.49800727       0.08874445      -0.18503814
Li      11.05360411      10.22061335       1.85958077       0.33410328       0.58258535      -0.44509462
Li       3.71048405       7.22472169       0.04633075      -0.38642633       0.32731225      -0.31951761
Li       3.06033768       2.23855286       9.75918737      -0.07276252      -0.58305631      -0.56035949
Li       1.07176633       6.36892732       3.04725617       0.36030507       0.77767085       0.41617003
Li       3.56098446       1.68836966       1.95548415      -0.00831972      -0.15040614      -1.19858999
Li       1.04376691       5.32887594       7.84712624      -0.13376119      -0.25703328      -0.42465086
Li       9.44933836       8.85088889       4.14047642      -0.86022879       0.76112132       0.39825908
Li       8.96002810       5.46052200       8.85592206      -0.00651819       0.54947760       0.37340723
Li       9.30667628       0.05721677       5.93305895       0.06065953      -0.12746468      -0.01798997
Li      11.41663385       7.49369988       6.05377210       0.09458946       0.06349975      -0.23538084
Li       1.04002052       2.97660177       4.54006792       0.48067577       0.20131179       0.20119642
Cl       9.74249716       7.33325550      10.02136365      -0.75467032       0.14987490       0.52596588
Cl      10.76854112       2.62213079       0.49797705      -1.36565230       0.13273847      -0.13559399
Cl      10.39866198       9.65977025       6.27941037      -0.04170514      -0.50299764       0.03872972
Cl      10.91735221       1.84799496       5.36994856      -0.54433736       0.48846341      -0.63040090
Cl      10.48104463       5.07620809       7.45593919      -0.24001675      -0.99974585      -0.86366199
Cl      11.26542488       8.47634456       3.13744975      -2.12157693      -0.88060912       0.67566334
Cl       8.83850775      11.28878642       3.83301342       1.53374098       0.96185070      -1.09441334
Cl      11.76005321       4.69532481       3.02675547      -3.33389985      -0.15055336       0.05026642
Cl       9.87730083       0.16323281       8.17333307      -0.00231851       0.62593910       0.89753653
Cl       1.57532498       2.68420268       2.15529177       0.78536864       1.61407460      -1.48262888
Cl       4.37736811       7.11580802       6.45319742      -1.45751379       0.21236574       1.78067909
Cl       0.78466395       0.11380215       1.82238986       0.10767082      -2.66682438      -0.13233795
Cl       1.63376444       1.51655315       7.36357327      -0.19378934      -0.35667665      -0.41320488
Cl       1.56897416       5.17741768       5.32066141       1.09678590      -1.52951789       1.19482000
Cl       3.31971248       1.70458504       3.91608458       0.97783754      -0.60100327       3.39411925
Cl       0.93505979       3.17249206       9.97138800       0.07993570       0.53511566       0.08423830
Cl       2.58534349      11.79937632      10.29161200       0.23155141       0.58682865      -0.06168830
Cl       1.08264227       8.79580884       1.11357494       2.84069082       1.76779955       0.46624147
Cl       1.23048115       6.28223560       0.61731083       1.00017715      -3.08762145      -0.87258702
Cl       1.49479416       7.98005433       5.12267001       0.77081013       0.91432897      -0.40086709
Cl       3.42755779      10.21292113       6.59857788      -0.42069981       0.56727314       0.21882621
Cl       0.48941709       7.50281658       8.00085180       0.91840073       0.44022034       1.46374533
Cl       3.80673169       8.56009235       9.94515375      -0.04107278      -0.29241856       0.42496438
Cl       8.02810693       4.75161567       3.04789719       0.66206810      -0.91593985      -1.07094954
Cl       5.86517042       1.94051520       1.82877630       0.13373174       0.11457000       0.79039921
Cl       6.48146155       6.23285348       4.97845287       0.87868528      -0.73290775      -0.29019719
Cl       6.20435193       0.05445209       5.31269617       0.26952204       0.96738014      -0.04473094
Cl       5.21750503       1.99101316       9.10071964       0.32159824       0.17431164       0.58467754
Cl       5.88157573       7.43015603       0.71446420      -0.02588266      -0.54685295      -0.10362952
Cl       6.22993329      10.75280057      11.65435887       0.63466980       0.17425528       0.15349977
Cl       6.96741240       9.14161420       3.61173170      -0.43152837      -2.07341876       0.05236750
Cl      11.41365431      10.27374660      11.27758047      -1.73743771       0.77084220      -1.76421638
64
Lattice="11.9049 0.0 0.0 0.0 11.9049 0.0 0.0 0.0 11.9049" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.57126624 stress="-0.011578623704256216 -0.005067593787472647 0.0017953000391203813 -0.005067593787472647 -0.010997153835138525 0.0026583397015700607 0.0017953000391203813 0.0026583397015700607 -0.015528608024237125" free_energy=-219.57126624 pbc="T T T" config_type=density 
Li       5.77342411       2.29238373      11.39037022      -0.62063512      -0.49002692      -0.05026071
Li       6.25908451       2.44371882       3.53786247       0.46631264       0.41553719       0.57233252
Li       4.28159729       5.64179163       5.52163548       0.10327871       0.46538018       0.76096169
Li       5.12878568       0.17790206       6.13397592       0.15345712       0.21804291      -0.17188506
Li       6.08311818      11.16722478       2.38814675       0.12636941       0.42381422       0.49659257
Li       6.68842282       6.34991890       2.09488144      -0.25653548       0.07128783       0.08849310
Li       6.70289918       7.75622092       5.27868028      -1.17697301      -0.74311394       1.82295544
Li       5.11597601      11.00308002       9.77085144      -0.44910700       0.44213046       0.39616834
Li       6.45377724       8.35073972      11.00409193      -0.09264739       0.32401785       0.04828302
Li      10.03515212       4.50221889       1.71719849      -0.08165901      -0.56206818      -0.63635583
Li      11.36886997       2.04715470       3.18537028       0.07293689       0.32666078       0.42879596
Li       9.47243131       4.61756547       5.15180976       0.46828561      -0.27414658       0.55902336
Li      11.10198592       2.69413839       7.65661263       0.70693189      -0.19086422      -0.14891781
Li      10.28952412      11.28184515       1.91864130      -0.07836651       0.74337799      -0.32184157
Li       9.40751389       8.35362071       3.59364883       0.47679122       0.37327341      -0.26233813
Li       9.22084506      11.48088318       5.51551636       0.10572192       0.56878761       0.35976917
Li      11.90384046       7.85626970       5.90847330      -0.34877976       0.25544526       0.16855650
Li       9.78694686       9.69175528       9.29925073       0.17349767      -0.11290686       0.21473939
Li       3.68069746       7.06553434      11.63317066      -0.14897013      -0.30734921       1.10012780
Li       3.43095647       8.75956590       8.05956968       0.44692921      -0.04311633      -0.22132897
Li      10.37994183       6.16563104       9.71899369      -0.19991156       0.62284644      -0.02189354
Li       2.20040648       2.55758919       5.37702666       0.02478667      -0.95401486      -0.64410666
Li       0.44237061       8.22805973       0.17119246      -0.70076578       0.00360229       0.48317417
Li       2.52949363       1.52254147       2.02891639       0.90682652       0.77253557      -0.01344287
Li       0.99300438      11.08278332       6.96968799      -0.01117726      -0.08156052      -0.33217437
Li       2.39703971      10.70423131       0.49145570       0.83974755       0.47952540      -0.13447349
Li       1.65240012       9.92750801       3.13110775       1.26427508       0.52423252      -0.34534847
Li       0.89534967       5.57769565       2.85442597       0.55940624       0.84333551      -0.39545623
Li       1.06305043       3.87772355      11.76161262       0.22987572       0.41465136       0.53440871
Li       1.53420827       5.15866698       8.00200949      -0.09033176      -0.64202515       0.00782493
Li       2.54523191       1.17556721       9.00418778       0.57193313       0.14138971       1.39722082
Li      11.80932842       0.39093668      10.86967371       0.31843230       0.86077575       0.59668856
Cl       0.92473573       2.91461714       9.94485345      -0.46470716       1.03696899      -1.65954263
Cl      10.34578668       1.82290210       5.45233706       0.28080847       0.13296666       0.41644113
Cl      11.20036802       5.38916966       7.71395853      -0.31068531      -1.49748755      -0.87943421
Cl       3.88794986       0.57707336       4.38677708      -1.09030365       0.54469257      -0.77409403
Cl       3.46770689      10.69850505       6.92488985      -0.08144609      -0.90374049       0.78174648
Cl       2.66786428       4.46205176       6.11386854      -0.44995991       0.81742251       0.91491365
Cl       9.12579633      10.54784854       3.67107830      -0.66163604       1.45482331       0.26091243
Cl       1.63278084       1.35352761       7.20264307       0.47835832       2.64354459      -4.14837752
Cl      10.47807393       9.59902801       6.33595445      -0.42008589       0.63732978       0.63086970
Cl       0.28453901       6.00381964       0.50618206      -0.66730501      -0.67746268      -0.82677211
Cl       8.13332054       7.56879018       9.94234152       1.00284595       0.27444457      -0.54789638
Cl       9.87417406      11.48207367      11.06914031      -0.87299856      -0.28969768       0.12274998
Cl      10.40725168       9.27913145       1.73110341       0.80968550      -2.57768128      -3.34762669
Cl       8.43200257       3.83097301       3.53225526      -2.45800515      -0.74453897      -1.17513352
Cl       5.86128228       6.47687275      11.80887508      -0.20964716      -1.31629280       1.16244308
Cl      10.88505484       5.00671284       3.52195752       0.54498113       2.14159731       1.55117701
Cl       0.53507406      11.86813767       8.93811559      -1.32580155      -2.80139919       2.10303917
Cl       0.24362783       8.78754241       3.86152098      -0.24686360      -1.80586395       2.08297120
Cl       5.40576509       1.92014132       1.70813886       0.10876037       0.81164608      -0.76411620
Cl       6.99865261       0.63980147       4.58049361       0.03213313      -0.26303633       0.86070654
Cl       5.06965405       1.42970706       9.04981926       0.43869600      -0.38987082       0.09084975
Cl      11.30380969       8.05723632       8.78676859       1.08212761       0.48562074       1.21405430
Cl      11.64321839       2.69393601       1.02989052      -2.46699642      -0.99815688      -0.92775505
Cl       4.92804526      11.14514119       0.46200774       0.51849769      -1.63141713      -0.50412723
Cl       1.14573115      11.82191094       2.08901233      -1.01104110      -0.90689021       0.17496982
Cl       7.11277298       8.27545314       3.45174242       1.00331492       0.95012818      -2.18395957
Cl       5.01296291       7.38563329       6.99512876      -0.00881420      -0.04661020      -0.03975457
Cl       5.39870548       6.01764123       3.88717604      -0.12853702      -1.02787496      -0.66316851
Cl       4.17473890       8.54284910      10.24103546      -0.36617131       1.30868013      -1.10123379
Cl       2.85216404       1.21114500      11.54706252      -0.50285840      -0.11052141       0.08243325
Cl       2.25637141       7.94142545       1.61492349       1.01960156       0.95506656      -0.61435003
Cl       1.33147973       3.49194527       3.08169051       2.66411716      -1.09584692       1.37077219
64
Lattice="11.9228 0.0 0.0 0.0 11.9228 0.0 0.0 0.0 11.9228" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.2538524 stress="-0.011310954837770155 0.00014554037112560517 0.0032489919353590408 0.00014554037112560517 -0.009425815670971 -0.004201370487255583 0.0032489919353590408 -0.004201370487255583 -0.01039556638373836" free_energy=-221.2538524 pbc="T T T" config_type=density 
Li       6.36466486       6.75610231       2.29424479      -0.01160077      -0.31148982       0.23333594
Li       4.54805937       5.36597537       5.82929538      -0.41501500       0.33199023       0.27620213
Li       5.10715523       2.63746643      11.76128183       0.60920535      -0.55568877      -0.19928451
Li       6.07060093      10.88928400       2.33571229       0.01504168       0.46104303      -0.57913112
Li       6.79656829       8.23700945       5.96514376      -0.15040377      -0.38947557       0.10068712
Li       4.80790487      11.87414305       5.82096134      -0.11092736       0.28316277      -0.06096796
Li       6.09470883      11.20432015      10.35002768       0.13112916       0.76521831      -0.74518727
Li       7.02560528       7.71764036      10.42493864      -0.56212984       0.22098369      -0.03629926
Li       9.86023906       4.77497409       1.24527685       0.03672026       0.24075651       0.64486542
Li       6.87533031       2.87068832       3.72205970       0.10592183      -0.15286123      -0.44893110
Li      11.04670073       2.02499220       3.53906857       0.15393641      -0.28301745       0.05869216
Li      10.89419620       2.37472369       7.69609586       0.28400769      -0.17829012      -0.50718903
Li      11.19589073       1.21710327      10.58502607       0.28156016       0.24700838       0.01758485
Li      10.21458468      11.28775590       1.04243902      -0.22878215      -0.08753064       0.33744310
Li       9.60460230       7.98308958       2.90501407       0.87069437       0.15353865      -0.18895261
Li      11.45002521       7.86241892       0.40006240       0.47606474      -0.12334300      -0.05141707
Li       8.79670145      11.46173340       5.35225223       0.67410134       0.49846354      -0.44037479
Li      11.49236307       7.90324259       5.97837807      -0.08337862      -0.19753262       0.11825972
Li      10.45391104      10.14618357       8.83363829       0.32776514       0.14865088       0.45244770
Li       9.20543888       5.23123581       5.57439783       0.53343936      -0.11816373      -0.42039037
Li       3.06082122       9.87150611      11.04721341       0.08202575      -0.00964463       0.25212716
Li       9.93085780       6.56520636       9.27664185       1.44024617      -0.77018937       0.30180496
Li       2.63373460       1.50753075       9.54170953       0.13435908      -0.05576277       0.67353028
Li       3.73615245       8.53230144       8.01107239      -0.72481307       0.55202229       0.23846995
Li       2.65515987       1.39027002       2.10425497       1.72607852       1.53361499      -0.29654248
Li       2.87955889       2.33674957       5.56413230      -0.61516744      -0.28452387      -0.05271882
Li       1.51790359      11.19460307       7.26534894      -0.82071668       0.11028100      -0.27030188
Li       1.18042874       3.72741304      11.89414951      -0.64822957      -0.01881290      -0.11390265
Li       3.48565443       6.60754422       0.35099889       0.68261815      -0.47701830       0.02056540
Li       1.21427757       5.14167173       3.79635067       0.02539975      -0.26137520       0.10213212
Li       1.07200518       5.01774615       7.96855569       0.14506433      -0.55431873       0.45659618
Li       1.63889617       9.98387850       3.00800321      -0.01370242       0.33206120      -0.09490605
Cl       2.53432229       4.43730848       6.50633157       0.72599724       0.70378957      -0.40271974
Cl      10.97586738       5.36056242       4.07340077      -0.32511876       0.57036727       0.30277625
Cl       9.50212584       9.02090971       0.89223082      -0.45163325       0.00595978       1.53722445
Cl       2.99932341       2.44388785      11.92052787      -0.93156510       0.37385150      -0.00309583
Cl      10.93280222       5.31252546       7.48894914      -0.92381634       0.46592880      -0.21098848
Cl      10.20632218      11.68986426       3.47851267      -0.52668935      -0.78600353      -1.21429303
Cl       1.25225168       0.18724042       2.58600763      -1.79546416      -2.79147488      -0.66419112
Cl      11.31261494       9.99204561       6.71467058      -0.60347995       0.10035672       0.43612006
Cl       0.06527340       5.61269387       0.76261448       0.32460635       1.76756604      -0.07521180
Cl       8.40459633       7.53301580       8.48269067      -2.39132462       0.66049987      -1.25430939
Cl       9.47768410      11.73017524      10.43825640      -0.43128445       0.07388206       0.24894096
Cl       2.08228125       1.39573066       7.54677472       1.61896652       1.47100738      -3.74709437
Cl       9.86140749       1.58767582       5.70355753       0.61308596       1.38413655       1.51851335
Cl       5.61460152       0.99400384       1.36697287       0.67472376       0.82287837      -0.03389741
Cl      11.05855200       3.05781667       0.88069789      -0.71017681      -2.88708612      -0.10563727
Cl       0.67784933       8.55811430       4.25934876       0.22315584      -0.73183531      -0.65580407
Cl       3.93676549       1.00050653       3.99062077       0.32453092      -0.04560674       0.95928965
Cl       3.50759238      10.54246168       7.16685469       0.83201206      -0.32203218      -0.61560101
Cl       7.02342341       0.87630911       4.76457741      -0.60328687      -0.72110038       0.33737745
Cl       4.91544852       1.00705096       9.53069287       0.37711937       0.27052458       0.12251286
Cl       5.58746522      10.06167477       0.02139260       0.90578058      -0.17079967       3.84821599
Cl      10.61128008       8.33551563      10.35034960       1.22692827      -0.22190572      -1.16292872
Cl       7.79034560       8.03631296       3.93918581      -0.24858813       1.18984392       0.77728617
Cl       2.04969624       8.02530822       0.22528608      -0.65935706       1.52226364       0.05093397
Cl       4.84595052       7.48626651       6.72441151       0.81125464      -0.62845899       0.87193416
Cl       5.00748062       6.65744114       4.15223433      -0.42854607      -0.84160609      -2.40766075
Cl       4.62899133       8.94502109       9.84917470      -0.30780278      -1.35419594      -1.72297365
Cl       5.57114291       6.06376916      11.84340607       0.61585402      -0.11596141       0.25885235
Cl       0.67309571       0.01757337       9.18352478      -1.34227128      -2.30625816       2.59174367
Cl       8.03081655       5.11472620       3.17622200      -0.52018689      -1.26814880      -0.44178022
Cl       0.47126536       2.98316802       9.36482287      -0.52320323       1.50667109       1.01072606
Cl       1.31187761       2.82142331       3.78333097       0.09926702       1.25319004       0.06749221
64
Lattice="11.9726 0.0 0.0 0.0 11.9726 0.0 0.0 0.0 11.9726" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.43647012 stress="-0.013480900950367932 0.0031606123845893536 -0.003819506994768401 0.0031606123845893536 -0.015963143281437654 0.0005620646427547722 -0.003819506994768401 0.0005620646427547722 -0.0086228633601592" free_energy=-220.43647012 pbc="T T T" config_type=density 
Li       5.51178994      11.03093106       1.78098411       0.19613608       0.10562073      -0.65404965
Li       9.06437165       4.12895464       1.19045597       0.13539557       0.69138643       0.39988377
Li       3.80869957       8.84979871      10.96963135       0.48841730      -0.13554504       0.36361612
Li       9.06699365      10.03526570       0.78055126      -1.32577914       1.17339430      -0.88462910
Li       5.95347113       2.97652006       3.34835310       0.71406175       0.50476461      -0.26825500
Li       4.85589500       5.36247965       5.83666645      -0.15982713       0.34862730      -0.56673289
Li      11.64631073       1.92586455      10.78385252      -0.12722292      -0.06059968       0.68472581
Li       4.66428551       3.61292361      11.38370372      -0.37565445      -0.00917493       0.31696213
Li       7.14713935       0.50152383      11.18449163      -0.74672471      -0.53404529      -0.03498737
Li      11.05559462       1.46927747       7.35926988       0.56529486      -0.13454189      -0.30880901
Li       7.28876324       7.75920261       3.28236013      -0.75610378      -0.86642653       0.23125238
Li       8.86924222       4.82344925       4.74634571       1.02289231      -0.30237720       1.79378976
Li       6.98549728       7.69182082       7.53319584      -0.38875826      -0.10665152      -0.60761029
Li       5.23691102      11.85850112       6.01216082      -0.26561579       0.27642481      -0.13800795
Li       8.57412960       0.15160305       3.99170076       0.05289808       0.73313774       1.50265360
Li       6.99372245       7.68333224      10.82433188      -1.23249921       0.63161581       1.24642190
Li      10.12982530       7.07621367       2.72357494       0.00369218       0.16534863      -0.14079013
Li       1.85976382      11.04315509       7.83965848      -0.30961033      -0.20408689      -0.09490725
Li       3.42218812       8.17024591       6.74888278       0.24913403      -1.13251692      -0.19583704
Li       2.13924022       2.34846141       5.69384530       0.16678953       1.43082713      -1.87741242
Li       3.12486057       1.33240671       2.02439904      -0.95861609       0.33300131       0.77968222
Li       3.68772842       6.40289859       2.47963321       0.19172215      -0.05899207      -0.45420308
Li       0.86954001       4.49945872       1.26898785      -0.13573084       0.12796481       0.31525389
Li      10.51808474      10.50762069       9.02202457       0.02021998      -0.12246858       0.46307505
Li      10.41617397       6.75300136       8.65584259      -1.15669400       0.05437728       0.15065858
Li       0.11215764       7.79625780      11.76889818       0.40020318       1.06817403      -0.15956537
Li       0.35960303       5.48419310       4.92107383       1.08269596       0.53107039       1.03580598
Li      11.46157351       1.23350106       3.05243832       0.46818086       0.33465870      -0.01932333
Li      11.65788824       8.49301523       6.09424496      -0.34124243       1.22969724      -0.92567485
Li       3.11202595       1.44696055       9.09224386       0.13245298       0.21630038       0.22058024
Li       1.23041213       5.44176221       8.23265908       0.53477984       0.32831783      -0.42186934
Li       0.86223193       9.76795346       2.64529808      -0.24338304      -0.56299312      -0.35722060
Cl      10.96539305       3.19918647       0.78923379      -0.61758967      -1.31981751      -1.35707050
Cl      11.82647442       7.83701254       3.93698598       1.65554213       1.68002433       1.03048996
Cl       8.79681996       6.76970314       5.79199667      -0.62289319       0.68210752       0.46310314
Cl       9.98984166       1.00010360       5.36463472       0.93967378       0.43170086      -0.04518538
Cl      10.57865413       9.09032825       1.55852123       0.56189125       0.41922671       0.29257639
Cl      11.30469654       6.33215250       0.98925284       0.19751106      -1.41050616      -1.15992191
Cl      11.10186872       8.43828848       9.76857604       0.57384898       0.34018657       0.84727415
Cl      10.84045897       5.26070058       3.60442307       0.85629411      -3.04387703       0.94072155
Cl      11.84697151       6.78167574       7.10416969       0.19425748      -1.45241799       0.65354099
Cl      11.77460911      10.50716573       7.18943855      -0.31276241      -0.83120529      -1.48268823
Cl       1.32261312       2.64709397       2.62681239      -0.15686355       1.32455208       0.88735621
Cl       5.22741675       7.74216560       9.38705717      -1.33947808      -0.04028113      -0.33420057
Cl       2.87913493       5.00112264       0.30799154       0.33628798      -0.28161802      -0.37990479
Cl       1.02222298      11.89298939       1.95232399      -0.06088913      -1.22504116      -0.15366718
Cl       2.48739146       1.02254265       7.09198158       1.13556967      -1.21468723       0.44750703
Cl       2.65432542       5.96065469       6.18071108       0.30229489       0.01177856       0.12277204
Cl       4.10159725       2.55160051       3.97187413      -2.36711770      -0.92715958       1.27401292
Cl       0.99131572       3.51462857       7.31682701      -1.32858034      -0.14771289       0.30641204
Cl       0.26179407       0.42392462       9.21941682      -0.16206608       1.19192928       1.49842774
Cl       2.35497450       8.68650442       0.85794694      -0.10032449      -0.09207246      -0.15398114
Cl       8.24323088       5.26095200       2.97948926      -2.27488937       0.20016322      -3.30891503
Cl       3.68398099      10.22469618       6.88381399       0.39451854       0.55371964       0.17567150
Cl       5.31023122       5.30604081       3.62009520      -0.52318892      -1.42171733       1.67844661
Cl       6.71132474       1.27562067       4.77268543       0.35860739      -0.48662169       0.62527800
Cl       5.17618599       2.09351686       9.65338765       0.09151362       0.21284681       0.22018067
Cl       5.76544145       6.89834872       1.55730003       0.92005978       2.06387915      -2.05184899
Cl       8.09801522       7.01148979       9.29136018       1.94433676      -1.09440523      -0.68926152
Cl       7.78837983      11.26007466       2.41895608      -0.63883250      -1.29962108      -1.82993139
Cl       5.28820164       7.76970258       5.52133211       0.93919789       0.36895993       0.27614475
Cl       5.75951501      10.25679472      11.41610158      -0.02710239       0.32708874       0.54073667
Cl       5.03941101       1.37818993       1.13522637       1.08565814      -0.00039373      -0.71853613
Cl       8.94569924      11.19521908      10.64374915       0.14400987       0.42670229      -0.01001636
64
Lattice="11.9493 0.0 0.0 0.0 11.9493 0.0 0.0 0.0 11.9493" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.00380614 stress="-0.012758657569096893 0.002964288224121364 0.0030959998639370984 0.002964288224121364 -0.01742915067382314 -0.0021565065019328485 0.0030959998639370984 -0.0021565065019328485 -0.014578647726326879" free_energy=-221.00380614 pbc="T T T" config_type=density 
Li       6.25145553       6.76461822       2.74351148      -0.53055319       0.09949072      -0.40797639
Li      10.40361025       7.67681584       2.91247458      -0.01388388      -0.21838433       0.74189486
Li       6.39738039       2.69521241       3.15848677      -0.18760614      -0.17671244      -0.16153606
Li       9.80890554      10.55035960       0.24743774      -0.03550619      -0.86787531       0.68567423
Li       4.89053781       5.00189333       5.93569528      -0.44807912       0.61656489      -0.01787781
Li       5.49032097       3.06421875      11.77002465       0.05414556       0.94281977      -0.85459041
Li      11.51212291       1.31647828      10.97498993      -0.23182500       0.20557023      -0.02968544
Li       3.58108572       9.55515020      11.49905038      -0.79835232      -0.78108199      -0.22946174
Li       5.03285397      11.64584753       1.58548092       0.72969560      -0.22478204      -0.47638080
Li       7.37504821       8.60705689       6.67865496      -0.54489449      -0.64438598       0.71694197
Li      11.70432740       1.73765526       7.21606278       0.19677349      -0.18078906       0.29236094
Li       4.77459375       0.12403373       5.86279260      -0.31952896      -0.19300589      -0.10717264
Li       6.84213333       0.19393714      10.94866562       0.14576797      -0.13833665       0.23025190
Li       6.21296684       7.62734573      10.36177575      -0.48437097       0.41787464      -0.14668369
Li      10.06276841       4.89034662       1.60961851      -0.05153629      -0.40311743      -0.31391374
Li       0.15593836       7.68066351      11.68471860       0.11760477       0.17459933      -0.08931033
Li      11.51643661       1.19988896       2.93648073       0.26216925       0.14050037      -0.19322037
Li       3.36222234       8.19944237       7.45074703      -0.05938053      -0.29245418       0.43228554
Li       0.80696371       5.42922420       4.64395205      -0.00779900      -0.07949574       0.03951937
Li       2.93612225       1.63369635       2.44020240      -0.83776110       0.09242229       0.54375612
Li       0.98895872       4.08366133       1.17335793      -0.08708119      -0.44932912       0.07128758
Li       3.76468671       5.46946944       1.78859512       0.32980560       1.46597522       0.14904842
Li      10.69813659      10.36939940       9.26453128      -0.23290116       0.16635976       0.91163213
Li       2.57765520       2.37390768       5.54262306      -0.27805383      -0.15151551      -0.49011838
Li      10.06667584       6.74745903       8.70182679       0.58552298       0.22901891       0.19592152
Li       8.67882439       5.12348941       5.01065217       0.63539610       0.44529318      -0.17061031
Li       2.78085305       1.74493238       9.48953659      -0.21578688       0.21598762       0.50369338
Li       1.40437733       5.05138734       8.22458370       0.57046539      -0.53386440       0.12665339
Li       1.21091816       9.96294396       2.70790257      -0.44516799      -0.18362305      -0.11456200
Li       8.44022076      11.87717403       4.23023144       0.21124558      -0.13553815      -0.54931245
Li       1.59928236      11.21500357       7.16991458      -0.10714743      -0.79793802      -0.05351943
Li      10.77636866       8.28939670       6.12443448       0.05388410      -0.33651952       0.13682599
Cl      11.19004148       8.90566990       1.44710803      -3.41205723       1.83554420      -0.01819526
Cl       0.17983696       0.27929935       9.03541540      -0.51444736      -0.73088141       1.31037559
Cl       8.66030297       7.40893643       5.35196003       0.21812802       0.41748650       0.16076861
Cl       0.00788654       6.03954665       1.16402314       1.21749169      -0.29227069      -2.24169131
Cl       9.40955993       0.24292927      10.90073698      -0.12176991       0.10804883      -1.12036067
Cl      10.43216907       8.28858415      10.39311876       0.67131525       0.37508662       0.07751440
Cl       0.14852980       6.46277891       7.43882163      -1.19124951       0.86002244      -0.42651364
Cl      10.40701580       0.57343854       4.89512634       0.32453798       0.30832761       0.17693040
Cl       7.51203499      11.54362126       1.25542931       0.15672043       0.09228620       1.55352740
Cl      10.92175579       5.53713833       3.49556458      -1.09478110      -0.70068891       3.09523786
Cl       1.00303978       2.94422387       3.25798859      -0.06288504       0.42079111       0.90227577
Cl       7.87897409       5.43100465       3.01564484       0.58622738      -0.66157297      -1.23921477
Cl       3.34066580       3.59591480       1.33054261      -5.42142827       4.65480336      -1.61589269
Cl       1.40615778       0.11636348       1.80160791      -0.45037961      -0.12523851      -0.81955435
Cl       2.24793816       1.30837665       7.49460096       1.59557598       0.29184875      -1.74913434
Cl       2.33796419       4.51334620       6.02478926       0.84042063       0.34477097       0.34963162
Cl       2.90951116       0.41162710       4.48050953       0.89870612      -0.03724871      -0.03422478
Cl       0.60052761       3.19092912       9.02043098      -0.37089137       1.10367585       0.75253644
Cl       1.65122597       9.01536447       0.66617586       3.56013379       0.26628111      -0.87997860
Cl       4.07441257      10.06506268       6.71863732      -0.05862525       1.24164494      -0.25765397
Cl      10.75864785       2.79858581       0.63752383       0.02299307       0.13773194       0.25881872
Cl      11.84207355       8.80234430       4.35873421       0.82224802       0.02266422       0.07774052
Cl       4.81201896       1.95521616       1.32551195       5.22926711      -6.56207446       1.66798490
Cl       5.13473370       4.51581971       3.69621722      -0.58690070       0.25206814       0.70822162
Cl       6.76758165       1.14086659       4.86822847      -0.58849767       0.23734568       0.25607939
Cl       4.98591712       1.86048211      10.04614694       0.30889438      -0.04685107      -0.53683699
Cl       5.02748874       7.05024234       0.55458733       0.50707472      -0.51435256       0.95935694
Cl       5.25631783       7.19499616       6.82619297       0.50906346      -1.23957156      -0.77943860
Cl       3.80178929       8.11614380       9.66256246      -0.34056149      -0.43032510      -0.10624837
Cl       5.53015994      10.31200691      11.26643335       0.19660601       0.42236225      -0.05295586
Cl      11.45174907       9.91814604       7.40217312       0.18443119      -0.41549027      -1.12311322
Cl       8.10247380       7.66405398       8.87078989      -1.61062143      -0.05995265      -0.67780813
64
Lattice="11.9566 0.0 0.0 0.0 11.9566 0.0 0.0 0.0 11.9566" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.56874049 stress="-0.02091775550517383 0.004263119266207683 0.0001818749045623323 0.004263119266207683 -0.017377776169332556 -0.006525268215922279 0.0001818749045623323 -0.006525268215922279 -0.01764614468402559" free_energy=-217.56874049 pbc="T T T" config_type=density 
Li       0.29590313       7.73715173      11.85012648      -0.25245200       0.52686771       0.08455987
Li      10.12120212       4.72814182       1.29183889      -0.28782019      -0.31827072       0.36309365
Li       6.09786600       2.92263543       3.34904366      -0.18307325      -0.31122490      -0.32025540
Li       4.88477328       5.08609851       5.96932059       0.47746852       0.48392816      -0.04113032
Li       4.73957233       0.09073266       5.80225102       0.10473676      -0.03170771       0.52284566
Li      11.55605390       1.43377569      10.88240710       0.24689631      -0.71824988      -0.76656089
Li       5.23586688       3.38878740      11.51333297      -0.36013699      -0.48793619      -0.10732060
Li       6.94898461       0.41226476      11.04050922      -0.17201240      -0.01084618       0.32576993
Li      10.64699360      10.65330669       9.29577824       0.13942397      -0.31411524      -0.04229781
Li       4.95376286      11.28306081       1.60816270       0.14041189       0.96408232       0.51171938
Li       6.27143996       7.14201196       2.57047769       1.10701645      -0.66365961       1.02234457
Li      11.50912424       1.71554492       7.29482927       0.02856112      -0.54742271      -0.08139162
Li       7.22940275       8.40755829       6.99947734      -0.46884758      -0.14862916      -0.00546242
Li       8.70213305       4.83673166       5.25247460       0.59205518       0.03330397      -0.92598848
Li       6.11570525       7.71883422      10.73549636       0.31989439       0.29352515      -0.12630406
Li       8.43211715       0.03886134       3.92916594      -0.36320037       0.22327873      -0.52846530
Li       3.74346798       9.29216734      11.51018838       0.07603982      -0.07262464      -0.02713417
Li       3.33213703       7.95584990       7.08073439       0.12349267       0.37936861       0.15429141
Li      11.66042306       1.09525326       2.92578002      -0.72677114       0.63760299       0.60665384
Li       1.80545856      11.20424290       7.24547242       0.09738793      -0.21309841      -0.14116738
Li       2.87901776       1.75918651       2.36896116       0.15641084      -0.93837116       0.10052493
Li      10.16866982       6.60072473       8.82956649      -0.18038466       0.73119803      -0.06322076
Li       3.84024470       5.54578195       2.07952774      -0.24718543       0.07525387      -0.23915501
Li       0.99704413       3.94205515       1.24736034       0.37826003       0.41587133       0.54736201
Li       2.42460717       2.41420493       5.57116581       0.09534645       0.22851184      -0.40139866
Li       0.78812168       5.21701132       4.77449756      -0.14129799       0.21217740       0.00277213
Li       9.48362838      10.41916059       0.39651792      -0.04523744       0.36791987       0.11385372
Li       2.77904862       1.77255399       9.50964594       0.55497938      -0.24996119       0.41674109
Li      10.92931284       8.49278494       5.93080838       0.60696127       0.03985124      -0.03991692
Li       1.14550804       9.90477570       2.42439196      -0.77095852      -0.65458500       0.98537364
Li      10.34843730       7.44672592       3.00185987      -0.03460225      -0.35182268      -0.49718322
Li       1.62835740       5.12605747       8.23378107      -0.76973084      -0.28311209       0.15956656
Cl      11.74498014      10.19364716       7.23840607      -1.53749107      -2.94515024      -3.12768433
Cl       9.55579842       0.49888913      10.77353030      -0.43103285      -0.67502049      -0.39502246
Cl       0.01590228       8.50097521       3.82296741       1.43296377      -0.69943441       3.55670269
Cl       8.01809596       6.75779858       5.79279335       1.57413546       0.19197513      -0.73599480
Cl      11.47838383       3.29545418      11.80805120      -0.63624215       0.32514208       0.21594621
Cl      11.77083031       6.69048292       7.16409580       0.08345714      -1.00420731       0.01575206
Cl      10.21728535       1.06568817       4.66368379       0.26422090       0.20508074       0.47295314
Cl      10.97881317       9.30639570       1.60695508      -2.38198089       1.04367798      -2.56351356
Cl      11.73739965       6.14024019       1.33704680       1.22250128       0.54131165      -1.91645668
Cl      10.76691830       5.23907125       3.62054218      -0.17979967      -1.23905859       2.70589524
Cl       1.27227789       2.71534386       3.42582895      -1.46145347       1.62940203       1.00715383
Cl       4.89717227       7.47200217       1.10620789      -0.14083028      -0.69790116      -0.49937585
Cl       5.87799608      10.38427123      11.94074555      -2.35675861      -2.01687646      -2.48678009
Cl       3.29461722       3.48402172       1.22745260      -3.39410571       4.80993957      -1.63482217
Cl       2.67307728       1.32994457       7.44065196       2.95269175      -1.55068369      -2.44210246
Cl       2.78940304       5.28786613       6.42993665      -0.84875113      -0.21383565      -0.02694859
Cl       3.71613519       1.16594665       4.32435548      -0.60067016      -0.39949259      -0.71712976
Cl       1.00454092       2.71013078       8.67077088      -2.30478214       4.79755581       1.57486206
Cl       0.32261298       0.06641855       8.75285294       0.14738499       1.83484092       3.68330923
Cl       2.00253919       8.77866724       0.98401144       1.42060836      -0.58603851      -1.33454191
Cl       1.17730662      11.89759418       2.15620542       1.12569444       0.59391596      -1.17841683
Cl       3.67203925      10.22851260       6.46621298      -0.04013658      -0.57848386      -0.05012591
Cl       4.98030651       1.83985769       1.07427899       3.78672314      -3.90541973       0.61175591
Cl       4.45904658       4.41736587       3.88950589       0.66309310       0.36041341       0.23691756
Cl       6.54849830       1.12624596       4.74021798       1.48497524      -0.10711033       0.27314246
Cl       5.19196224       1.71731450       9.83728069       0.12165977       0.44623524      -0.11674354
Cl       7.65608598      11.58600518       1.27756271       2.61846724       1.34035010       2.68714862
Cl       5.33393491       7.29603689       6.46351078      -0.95756016      -0.09513043      -0.28441598
Cl       7.74793658       7.41844856       8.83411000       0.56613186      -0.24539091       1.56546601
Cl       4.43983232       8.39041253       9.57589746      -0.89265518      -0.23124458      -0.37554864
Cl       7.97252936       5.25891920       2.83287724      -1.27183943      -0.07788724      -0.86528173
Cl      11.23830726       8.41330942       9.90827898      -0.27025089      -0.14857817       0.58078095
64
Lattice="11.9945 0.0 0.0 0.0 11.9945 0.0 0.0 0.0 11.9945" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.27155325 stress="-0.014638686132050193 -0.0003827276980822613 0.0027547651380633604 -0.0003827276980822613 -0.005421612309922929 -0.0014962840606193423 0.0027547651380633604 -0.0014962840606193423 -0.011627691490528584" free_energy=-218.27155325 pbc="T T T" config_type=density 
Li       0.21086331       8.21877533      11.59360783      -0.09722178      -0.38791290      -0.83787941
Li       1.67376051      10.73189896       8.33430636      -0.26042012       0.33561097      -0.09389783
Li      11.59888541       1.57516572      11.66370368       0.60058790      -0.14197075      -0.47603683
Li       5.66373093       2.61706796       3.20927241      -0.16626245      -0.26176896       0.11389150
Li       8.53917242       0.12542529       4.70833302       0.51917582       0.57502128       0.11112857
Li       4.50876853       4.79672049       5.41440126      -1.49393862      -1.02078919       0.24310338
Li      11.92285685       1.11234234       7.27779481       0.00831819       0.24328023       0.41995042
Li       5.02972565       0.30964042       5.98072158       0.13018347      -0.81388727       0.72818667
Li       4.11237430       3.62067176       0.45747023      -0.51862319       0.06526475      -0.18641543
Li       6.69295499       0.04629445      10.87935934       0.21813568       0.01125094       0.53871801
Li       8.63693959       4.78754470       4.71033611       0.17987965       0.32008083      -0.46378582
Li       5.28500460      11.03077791       1.67549971       0.64336566       0.07015074      -0.13191972
Li       6.61591432       7.38618911       3.78103823       0.73135826      -0.54453049       0.48108122
Li       7.01343603       7.21115337       7.55074166      -0.44214613      -0.08882421       0.05462303
Li       7.87462914       7.95202965      11.30446841       0.11708361       0.27053415       0.49580468
Li      11.28976315       1.76890088       2.86305117       0.20060232       0.35176794       0.14698217
Li       4.40940610       8.63039059      10.78782931      -0.14812101       0.42873694       0.26113482
Li       3.89871627       8.22604400       6.80743050       0.49871171      -0.36942993       0.51306016
Li       8.84787486       4.22887688       0.78509640       0.81965234       0.08646620       0.22564439
Li      10.56756231       6.86024228       2.70074159      -0.45238334      -0.68136336      -0.31240357
Li       2.73694099       0.64217234       1.61520336       0.29835028       0.74046912      -0.16110994
Li       0.67447233       4.95172542       1.72073097      -0.07795019      -0.22522576      -0.26927087
Li       9.63355060      10.46493737       9.32332485       0.39551725      -0.40302281       0.36383468
Li       2.12800422       2.44266793       4.87593217      -0.60361385      -0.12047211       0.08352445
Li       9.48516664      10.13252180       1.44380195      -0.20974744       0.44069187      -0.66294755
Li       0.68848310       5.78343604       5.20527715       0.35473006      -0.81059430       0.44236470
Li      10.29569498       6.91665241       7.67728363      -0.44760028       0.30400003       0.53693296
Li       1.88530750       5.27245835       8.38314796      -0.07549478       0.26256999      -0.07809792
Li       1.49314733       9.44511700       2.66992772      -0.86241241       0.23799699       0.02544840
Li      11.48905177       9.37125487       5.69261369      -0.12001810      -0.12038758       0.51834384
Li       3.94343177       7.64234365       1.68180882      -0.08514442      -0.02618775       0.17728620
Li       3.48327477       1.79773566       8.37502769      -0.52011716       0.31761692       0.18046889
Cl       8.95394223       7.04415395       5.23998924       0.04200364       0.46010155       0.94986547
Cl      10.70485136       1.19638780       5.41233821      -0.63293404       0.11351983      -1.28336460
Cl      10.72491816       8.32158019       9.71153884       1.32158582       0.46767402       0.40719475
Cl      10.03778924       2.15370843       0.85097859      -0.62894102       0.18367116       0.26355290
Cl      11.03610347      10.96249322       7.60152637       0.00147865      -1.96736764      -1.79298090
Cl      11.00316657       4.16371076       3.06647789       0.19461458       0.23534138       2.21733333
Cl       8.36519220       5.61492531       2.53825210      -0.89968403       0.26473789      -0.36361422
Cl       8.06378241       7.15993686       9.44373764       0.25048713      -1.64246807      -1.10605666
Cl      10.70471942       5.69302150       0.51350853       0.58493197       0.37622835      -1.20672033
Cl      11.38143712       8.70040249       1.46390474      -1.05747743       1.17016730       0.69502391
Cl       1.59211395       2.79247553       2.25707703       0.95446815       0.44401035      -0.18391169
Cl       5.33528554      10.50770976      11.55385805      -2.03748296      -0.15881137      -0.24164996
Cl       2.77573121       5.95205472       1.15436747      -0.16296543      -0.83707203      -0.39831502
Cl       3.98459689       1.29780490       4.49863318      -0.59306231       0.77906718      -1.33928781
Cl       2.10761357       0.53285686       7.05238218      -0.19060415      -0.37047467      -0.12179542
Cl       1.52824323       3.47515449       7.24777258      -0.43385667      -0.72209183      -0.39758044
Cl      11.62095649       0.63952515       9.69333119       0.45145056       0.71807036       1.15179915
Cl       2.57180072       9.28932044       0.81047196       0.29813690      -0.05695970      -0.60790441
Cl       0.99520406      11.91963033       2.53207493      -0.92217545      -1.60811667       0.57498211
Cl       0.05372816       7.56452334       4.28047722       0.57995078       1.39141286      -0.71165528
Cl       5.16392012       7.99890415       8.92814206      -0.79043477      -0.48988842      -0.19844080
Cl       2.94676078       6.00997616       6.56780438       0.81438609       0.33676749      -0.96117993
Cl       0.40622733       6.76374653       7.15934913      -1.53365717       0.57848158       1.31078447
Cl       4.77355912       1.39184178       0.83692943       0.13444728       0.23511879       1.17807713
Cl       5.49507627       5.53744084       3.76375416      -1.22412757      -2.67066968      -5.62570765
Cl       6.87975733       1.39464849       5.39104797       0.72511637       0.26078356      -0.06410957
Cl       4.18381354       2.90567962      10.20071053      -0.09448159       0.32136695      -0.50411965
Cl       7.95152588      10.11165137      10.86898410       1.97985139       0.06936224      -0.83108460
Cl       7.82908602      11.97943491       1.25229777      -0.01309602      -0.38946420       1.47170736
Cl       5.75374966       6.13474295       6.04616357       3.21042444       2.90005524       5.06430698
Cl       4.37508983      10.58079225       7.41466405       0.20623646      -0.19028240      -0.44102513
Cl       5.73227950       8.68638092       2.31261157       0.33097347       0.75258607       0.10812829
64
Lattice="12.0434 0.0 0.0 0.0 12.0434 0.0 0.0 0.0 12.0434" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.77964677 stress="-0.011778219807362702 -0.0016201079246206413 0.0035353574546429936 -0.0016201079246206413 -0.01925657544833899 -0.0008760190055071361 0.0035353574546429936 -0.0008760190055071361 -0.015809980024144916" free_energy=-216.77964677 pbc="T T T" config_type=density 
Li       5.69020541       9.65822872       2.02448350      -0.08239318       1.08428205      -0.09388657
Li      11.19468956       2.18245677       2.66442160      -0.02007685      -0.80855288      -0.06853812
Li       0.64883817       7.41425426      11.52758118       0.18664344       0.22641168       0.46390755
Li       5.46394606       2.12386563       2.78937187       0.33520149       0.06652309      -0.11511612
Li       6.28045245       5.56355702       2.59945950       0.73999843       0.72389280       0.58398315
Li       4.68446108       4.48703362       5.46059799       0.23048902      -0.00337917       0.28636752
Li      11.35082020       0.77717746      11.31500312       0.02590415      -0.46532835      -0.36817029
Li       1.49223748       6.01405244       5.29252030      -0.17646107      -0.29018622      -0.27510634
Li       6.62347257       0.58272232      11.57701933      -0.26487544      -0.44719507       0.34347965
Li      11.26351759       2.43510322       7.11098940       0.52942026      -0.28167265       0.10215456
Li       6.48305857       6.88921019       7.48517784      -0.63317862       0.08778129      -0.26870957
Li       4.97374355      12.03193468       6.37129582      -0.27905276      -0.29549320      -0.37089864
Li       9.80202691       4.75041074       5.43790823       0.51528738       0.10353931      -0.67686820
Li       4.57368589       9.16470223      10.29469832      -0.88777302      -0.25795187       0.12767318
Li       9.85796851       5.06862145       0.91847665      -0.62948010      -2.81166702       0.76079517
Li       8.35720430       0.49383600       5.10363162      -0.00369880       0.35540295       0.13086493
Li       9.52024748      11.16546023       1.73262374       0.39879160       0.46170898       0.18430791
Li       0.89899886      11.22512323       7.90169883      -0.19759591       0.60650419       0.19821454
Li      10.00752345       7.36757404       3.16375301      -0.50944676       0.24860732      -0.92224398
Li       2.40693371       0.49813188       1.42955158      -0.37419181       0.43658243      -0.37570278
Li       3.33870748       6.79721066       2.09269731       0.39887807      -0.01513271      -0.81698419
Li       9.45995822      10.62271236       8.88945032       0.76411706       0.08235783       0.40673381
Li       1.03540482       9.61150032       1.66356689      -0.44494129      -0.38157214      -0.32896670
Li       1.29548445       4.75097678       2.72674619      -0.52722119      -0.19802075       0.25321512
Li       3.25423507       1.90960150       8.67241621      -0.04132700      -1.00818871      -0.87081672
Li       1.82612870       5.36885137       8.58310236      -0.14504571       0.09465739      -0.94369050
Li      11.24601853       9.21792201       5.20115907       0.17573368       1.51793225       0.35291759
Li       3.07558328       8.52622138       7.23933591      -0.75083969      -0.07881912      -0.11237499
Li       2.23065446       2.13671594       4.66853971      -0.19867421      -0.20145647       0.17641301
Li      10.91677606       7.32975776       7.90617897      -0.64009995       0.57047566       0.19063166
Li       9.83159346       8.57818865      11.58255930       0.31353432       0.25801088      -0.36050391
Li       3.37602997       3.52416379       0.14044531       0.41896708      -0.48696942      -0.34709756
Cl       8.45297342       0.90039228       3.01375246       0.52231489       0.19560222      -1.94018309
Cl      11.79723290       0.07039873       1.46330923       0.34468438       0.07097187      -0.35497821
Cl      11.19718254       9.78553950       7.59156923      -0.32067227      -0.09157261      -0.87813607
Cl      11.04912098       0.65432635       8.88792081      -0.32020177       0.36088469       0.20941538
Cl      11.04480945       7.29396478       4.86567812      -0.98068799      -2.40023281       0.67597497
Cl       9.20524031       0.02819818      11.30546475      -1.55295296      -0.39488373       0.49597159
Cl      10.84585248       9.44716813       2.90463926      -0.58520440       1.34251323      -0.54198397
Cl      10.11187951       6.89798983       0.94336434       1.15202768       2.90308745      -1.29277845
Cl       9.81685234       2.48368630       5.35960204      -2.03605232      -1.55679298       1.49085028
Cl      11.78287717       3.65933892       4.03042016      -0.36074091       2.47052719      -1.05886297
Cl       3.55893309       1.29490637       2.98823249       1.47908498      -2.19254205       2.49381058
Cl       4.84337374       8.39416550       8.38032763       1.80997790      -1.05772539      -0.30811479
Cl       2.01975044       4.95565436       0.77961625      -1.30399521       1.89210100      -1.71079976
Cl       1.39729935       2.53868850       2.37167063      -0.46174346      -0.59001551      -2.12828098
Cl       1.59110175       1.36941888       7.28080134      -0.87796936       0.11254137      -0.76318286
Cl      11.99755294       4.52075514       6.47537488      -0.31231713      -1.10050850       2.60850589
Cl       3.70834351       5.41844609       7.27233483      -0.13061686       0.73385314      -1.17061795
Cl       2.88550229       3.71974861       9.44412115      -0.16352557       0.14104887       2.30309385
Cl       2.52889722       8.41064087       0.17657672       0.67900260       0.05399876      -0.63581749
Cl       1.53972460       7.64752287       2.88196153      -0.15484636      -0.60178300       1.58707097
Cl       8.59455563       5.72318024       3.20035290      -0.54106955      -1.43893973      -0.08344834
Cl       0.67172425       7.01407616       6.91747605       3.11803072       2.47050012       2.73400636
Cl       4.46073084       1.51785379       0.38350521       1.14586959       0.07500402      -1.76888856
Cl       4.46893239       4.50667641       2.28627088       0.53131965      -0.80487104       0.81150422
Cl       4.24193839       2.03462404       5.97169580       0.91374957       0.92103630       0.26357073
Cl       5.47990356       7.65948197       2.23535139       0.09686779      -0.67064382       0.04068177
Cl      11.87732151       9.53331457      11.13437621      -0.56995583      -0.01410711       0.02049486
Cl       6.20911939       6.27610478       5.28726938       0.15749075      -0.23132914       0.41232878
Cl       6.34476420      11.51636877       4.58198379      -0.40879624      -0.60621200       0.84006005
Cl       5.16103046      10.28184801      11.89709678       1.22783799       1.23243673       0.81789503
Cl       3.05736161      10.76505331       8.19023460       0.22243530       0.06856349      -0.14709474
Cl       9.26141073       7.89358158       9.48764600      -0.54593822      -0.18559538      -0.26805124
64
Lattice="12.0715 0.0 0.0 0.0 12.0715 0.0 0.0 0.0 12.0715" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.15837183 stress="-0.017963386468359082 -0.0011857806657117338 0.0017989314739600025 -0.0011857806657117338 -0.018324204372262426 0.0014806489367042948 0.0017989314739600025 0.0014806489367042948 -0.008390278166265952" free_energy=-220.15837183 pbc="T T T" config_type=density 
Li       5.42487174      10.46688379       2.49979036      -0.31886384      -0.43922244       0.30626098
Li       9.65610149      11.15703559       1.65010162       0.40721105       0.10629589       0.10556385
Li       0.87729143       6.94952634      11.95628960       0.87710390       0.75682863      -0.00471299
Li       6.89365943       5.97331620       3.13483576      -0.36147226       0.24482039       0.07904626
Li       4.52174247       1.78888766       3.04924883      -0.08147285       0.75488545       0.28018052
Li       4.51859181       3.83413776       6.05586112      -0.31036188       0.20841495      -0.44925725
Li       6.19584223       0.98327438      11.83079429      -0.18469055      -0.17917016       0.18502647
Li      11.11070517       0.03597367      11.18443789      -0.31847791      -0.53759811      -0.07298873
Li       8.24250470       1.34364245       4.37147644      -0.36614967      -0.13157124       0.09482090
Li       6.14024090       6.83377272       7.10913571      -0.13582802      -0.34463145      -0.00235372
Li       4.99997909      11.76489597       5.53248917       0.31467148      -0.15586347      -0.97614544
Li      11.00006987       2.62260580       8.36354563       0.67245916       0.48570173      -0.72618691
Li      10.38097093       4.61563460       4.86760302       0.58201812       0.95221097      -0.34551417
Li       5.11440483       9.65493056      10.47322133       0.03439900      -0.16391789       0.43384306
Li      10.34523929       4.68732724       1.05387937      -0.14767479      -1.27868916       1.28602517
Li      11.31646389       1.80339760       3.57569901       1.56692155       0.80738675       0.61786163
Li       1.08262644       6.48634288       5.53108887       0.05550324       0.12391880      -0.36484525
Li      10.51637694       7.77423914       2.60533149       0.47893510      -0.54213814       0.39220806
Li       0.19046171      11.56322949       8.10635025      -0.10945989      -0.20640644      -0.09302211
Li       2.46047349       0.32691916       1.02444181      -0.06434378      -0.26774063       0.68999622
Li       3.42713506       7.19066662       1.96202918       0.32569564       1.05475878       1.07963217
Li       0.88974198       9.87862752       1.56661513      -1.13293279       0.27396872       0.84557739
Li       0.29659676       9.71447927       5.00684777      -0.06658842      -0.50291263      -0.45427806
Li       3.55557582       0.64684167       8.91444060      -0.34111044       0.38290818      -0.60561616
Li       1.67417219       4.16918224       2.28727161       2.38534197      -0.07899321      -0.85102134
Li       3.07337976       3.70388627      11.65927638       0.48091271       0.21707795      -0.04891329
Li       2.07822944       4.33749517       8.32241803       0.23344529      -0.13836555      -0.46808719
Li       3.33199957       8.91811034       7.29248972       0.14681061      -0.31376893       0.28872727
Li       2.04208737       1.63216337       5.13276559      -0.02796627       0.33622140       0.04516247
Li      10.78179301       8.02723364       7.52432288       0.30060664       0.05793190      -0.61521718
Li       9.45205693       8.27064337      10.98477528       0.07171277      -0.59188236      -0.60653815
Li       8.83021775      11.23372583       9.17201020       0.12160453      -0.23856538      -0.15683720
Cl      11.03455815       6.30839690       0.19545207      -0.12345000       0.78943629      -1.30750473
Cl      11.19338288       9.38168008      11.54012464      -0.20056961       0.39608775      -0.25495812
Cl       9.85675397       2.62954692       5.14435423      -0.14249133      -0.05346079       2.11476485
Cl       0.63942736       4.57111490       6.56504906      -0.27918920      -0.82863484       0.83584593
Cl      10.54956149       0.66003944       9.03798034      -0.46136846       1.37566226       0.88678407
Cl      11.13626054       9.96969492       3.14458954      -3.32495626       1.90424847      -0.12753802
Cl      10.95231502       6.75516311       5.07380838      -1.08713631       1.22162881       0.71558024
Cl       0.26665944      11.82557095       0.90579828       0.48399152       1.64083009      -0.31027928
Cl      10.28408507      10.25559633       7.82586895      -0.05163564      -0.67551658      -1.01815361
Cl       9.66761770       1.14890139       2.79591633      -1.77101152      -1.53872738      -2.95959004
Cl       3.57790810      11.98396364       3.27884876      -1.43732562      -1.86715978      -0.24805040
Cl       8.88718316       5.71754526       2.27335317      -0.54652980       0.05126908       0.48138042
Cl       2.86201986       5.97119162       0.44415998      -0.16747908      -3.38286506      -1.32175275
Cl       1.33945364       2.34521481       3.28489658      -2.56693552      -4.39353841      -1.31108905
Cl       3.27876426       3.67169158       4.04639094       3.02087217       2.50952360       0.40023921
Cl       1.32242075       1.75909519       8.47486900      -0.26347762      -0.44255585      -0.31655172
Cl       3.44957598       6.08291335       7.52729247       0.31846543      -0.00038633      -0.11032487
Cl       3.95912607       2.62805005       9.80301165       0.63785298       0.59655013      -0.16390290
Cl       2.15687526       8.63665125       0.71003959       1.85924562       0.79060257      -2.24217546
Cl       1.01872354       8.34472616       3.25325718       2.49591942      -2.21931118       1.74597261
Cl       0.09814130       4.73184693       3.15593675      -3.24999151       2.06590622       0.10833354
Cl       1.00395406       8.98783533       6.99724498       0.60414047       0.08634901       0.23284195
Cl       3.98190499       1.47187800       5.94413939       0.75345387       1.80258105       1.04202520
Cl       6.20187798       5.16205104       5.15672751       0.39983303       0.32828099       0.60627368
Cl       3.89392790       1.94922132       0.75929735       0.57369984       0.65574895       0.13899887
Cl       5.72867518       7.74746456       2.11224693      -0.14290784       0.30234063       0.25680233
Cl       9.17274656       7.36034362       8.71078233      -0.69944817      -0.59236025       0.90743186
Cl       6.44921095       0.01448580       3.73710704       1.29534859       0.29402887       0.44098882
Cl       5.31174972      11.07212466       0.42696895      -0.08662081      -0.24807422      -1.42632599
Cl       5.61866760       8.51189229       8.63422488       0.03527567       0.00567304       0.10611237
Cl       4.15286157      11.12299396       7.34560432      -0.49273197      -1.50026066       1.58238729
Cl       8.56272538      11.60590225      11.34160882      -0.47080173       0.27421019       0.62703645
64
Lattice="12.0857 0.0 0.0 0.0 12.0857 0.0 0.0 0.0 12.0857" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.61451103 stress="-0.014942881271133327 -0.002698498588651981 0.0024732263338241816 -0.002698498588651981 -0.012656451034639889 0.000962107498005004 0.0024732263338241816 0.000962107498005004 -0.004821067590003371" free_energy=-219.61451103 pbc="T T T" config_type=density 
Li       4.56729480       3.67486254       6.00612156       0.64245703       0.16398422       0.07156363
Li       3.42007181       8.65954908       7.42747239       0.33793542       0.24601507       0.18105649
Li      11.34053200      11.82151143      11.39623499      -0.74571629      -0.37423286      -0.30494315
Li       1.33660591       6.56582241       5.40963183       0.17757343      -0.00475135       0.49073474
Li       7.96236130       1.67859496       4.14231325       0.21585997       0.12450508       0.29493662
Li      11.98179283      10.04257616       4.95418223      -0.00523226      -0.44559908       0.41333959
Li       1.29649347       6.73966312      11.18489235       0.32510387       0.52582442       0.75968436
Li      11.99782826      12.02299939       8.38522786       0.60458469      -1.15292481      -1.10602630
Li       6.94451573       6.66056221       3.37533055      -0.24442159      -0.00216588       0.29286502
Li       4.50455793       1.86237011       2.74619735      -0.17230422      -0.19752260       1.03870031
Li      10.42095525       4.87747429       5.66401165       0.15051399       0.02703070      -0.53248771
Li       6.14414025       1.18291085      11.86066427      -0.69465110      -0.27677663      -0.05049539
Li       5.22739156      10.36804406       2.44850239      -0.36321364       2.05219619      -0.33181995
Li      11.50691583       1.56546072       3.60327894      -0.30942542      -0.27642342      -0.27965838
Li       6.06496683       6.87792353       7.31066410       0.03444359       0.00748110       0.13313606
Li       4.98358674      11.56999110       5.13841664      -0.11869414      -0.42343001      -0.51263205
Li      10.30052125       4.37347643       1.03895929       0.14654861       0.18772711       1.00442000
Li      11.19886342       2.89063355       8.44234488      -1.00656973      -1.39315058       0.61180398
Li       5.00970394       9.51623184      10.93277256      -0.25288758       0.13272527       0.11429668
Li       9.01257238      11.21326957       1.61503626       0.46472018       0.33717512      -0.02699429
Li       2.46609917       0.35638916       1.00383703       0.43490785       0.03756528       0.44694454
Li       2.23650713       3.89848425       2.54006365      -0.67668852      -0.12122486      -0.47069430
Li       8.53212954      11.43500591       8.94054160       0.16201285      -0.63211617       0.22329225
Li       9.84027363       7.67999101      11.16758563      -0.27576910       0.63437188      -0.28404402
Li      10.58266192       8.12020054       7.29125447      -0.14254250       0.27463289       0.16003640
Li       2.16905684       4.18869816       7.83444625      -0.21497801       0.09780904      -0.46771280
Li       1.92522784       1.60232211       5.69878221       0.58376813       0.08111086      -0.67599898
Li       3.54231867       3.86046264      11.23930217       0.19723063      -0.09138232       0.43544736
Li      11.13045836       7.38577673       2.98185642      -0.82297458      -0.13316301      -0.63268652
Li       0.75401232       9.72187002       1.42299449      -0.03432919      -0.21760943       0.09002889
Li       3.63525770       7.42418508       2.03929268      -0.88142981       0.18869006      -0.06660749
Li       3.55292991       0.53693381       8.75960659      -0.41747922      -1.02093976      -1.49763313
Cl      11.26763105       7.81898864       5.10410534      -4.64942714      -1.13255570       2.91688226
Cl      11.33811486       6.21852774      12.00902506       0.04977795      -0.63064117      -0.30520045
Cl      11.12514065      10.49732479       3.00863833      -1.02375751      -0.44605663       1.73594582
Cl       9.73251752       2.82361835       5.72787249      -1.13655297      -0.91181823       0.25608644
Cl      10.33459084      10.33995689       7.41112044       0.64688302       0.74403461      -0.58034819
Cl       9.35324409       1.57360648       2.49278440      -0.28975941      -0.83771414      -0.95474851
Cl       8.78821344       6.38422268       2.26484809       0.44418982      -0.13083952      -0.19369697
Cl      10.74114170       9.59697640       0.19917234      -0.76622062      -0.53718390      -1.20598564
Cl      10.32949068       0.72980587       9.16059803      -0.77347412       1.51471704       1.59185035
Cl      11.39720547       3.66747818       3.12895147       0.41320257       2.24134184      -0.70278059
Cl       3.78423813      10.95706482       6.95070361      -0.62904342      -2.07463046       1.20395054
Cl       2.85628600       5.81313710       0.66866311       0.06618204      -2.04773546      -0.49731678
Cl       1.66155412       1.63156950       3.36938439      -1.40078930      -0.50786650       0.62142008
Cl       3.59480687       2.60903674       0.98299162       0.00700252       0.20086402      -0.46989295
Cl       4.33601076       1.25878608       5.94804977       0.28917794       3.42302679       0.61301926
Cl      12.06894148       4.09416382       7.15158003       0.64138272       3.32271076      -1.04411800
Cl       3.22891230       3.76745109       4.40378737       0.38258848       1.29074256       0.04395936
Cl       4.35264068       1.85874440      10.02872595       0.56581618       1.80353643       0.40230595
Cl       1.14057223       1.73586909       7.89319484       1.39414264      -1.39334772       0.65653905
Cl       2.53782780       8.58089534       0.24076286      -0.38122957       1.41689462      -0.61721064
Cl       1.06569165       7.74927833       3.61205316       4.51905424       0.07536037      -3.57459678
Cl       3.74182941      11.84532751       3.05250942      -2.86465865      -2.23164579       0.09787388
Cl       0.30203856      11.93772269       1.11138647       1.41910263       1.69201031      -1.36372839
Cl       1.35091537       8.34410022       6.94067248      -0.36068915       0.67177764       0.86810725
Cl       3.24468414       5.94958465       6.87840696       0.35013090      -0.79164989       0.70876335
Cl       6.17811315       0.40479360       3.29487605       3.77359416       0.67430044       0.42164421
Cl       8.64971132       8.26156698       8.93562272       0.49562282      -0.84099897       0.52778488
Cl       6.27157187       5.45646392       5.56292685       0.47372015       0.17235636      -0.28864465
Cl       5.55702903       8.45215847       2.19077484       0.94113655      -1.98316576       0.12586430
Cl       4.51747755      11.55719234       0.06962572       0.13495035      -0.75900827      -0.53756652
Cl       5.40974061       8.48000392       8.79255221      -0.54850566      -0.05011451       0.24891200
Cl       7.73004998      11.87011528      11.38653017       0.71809648      -0.29213265      -0.22692640
64
Lattice="12.1025 0.0 0.0 0.0 12.1025 0.0 0.0 0.0 12.1025" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.61541665 stress="-0.004213601086395281 0.0007248178102986835 0.00053254719169099 0.0007248178102986835 -0.007964858988909796 -0.0013953304217382324 0.00053254719169099 -0.0013953304217382324 -0.0035641193959931243" free_energy=-222.61541665 pbc="T T T" config_type=density 
Li       5.94926223       1.29176034      11.58727237       0.38304452      -0.08287842      -0.44996230
Li       4.79953683       1.62900860       2.80661816      -0.28763979      -0.46186799      -0.12190143
Li       5.54771338       4.06113910       5.68466527      -1.20055586      -0.92632115       0.41776302
Li       8.04114305       2.05207569       4.36314489       0.56704592      -0.52814351      -0.15437892
Li       4.11131607       3.88222785      11.06926117      -0.09057259      -0.12600701       0.25464550
Li       5.21620170      10.28209036       2.04756146      -0.21032196      -0.14331458       0.18119077
Li       7.23670198       6.91331107       3.91956406      -0.03857496       0.48452203      -0.89121749
Li       6.40840688       7.05025086       7.75762988      -0.34315272      -0.07781215      -0.10707136
Li       4.67624867      11.70345637       5.28070803      -0.08248673       0.28747192      -0.06404551
Li       4.86543495       9.13616515      11.14217873      -0.21010193       0.39118357       0.75191812
Li      10.05878713       4.23121554       1.39245314       0.22461893       0.04940880       0.60988575
Li      11.69005890       1.48492834       3.01680228      -0.01789254      -0.42922320      -0.56891720
Li      10.34485392       5.00596918       5.79725483       0.18494090       0.08221307      -0.03867714
Li      10.87562117       3.16734527       8.25273106       0.36623573      -0.44100988      -0.43875832
Li       8.84221963      11.18452537       1.76292276       0.25079065       0.12001938      -0.23866479
Li      11.12619132       6.73592473       3.13975157      -0.13704055       0.25495696       0.13377906
Li      10.25115637       8.31669277       7.56760853       0.66486294      -1.01850173      -0.59837179
Li      11.44817834      10.31634043       4.91791139       0.17906529      -0.75314768       1.18118197
Li       9.76440592       7.40071506      11.39714209       0.26418373       0.34047114       0.07160828
Li       8.57972851      11.17911556       8.92099480       0.84912684       0.03006287       0.62108542
Li       1.75832381       6.53407924      10.98503987      -0.11224000       0.22373401       0.64724201
Li       0.01815024      11.90179214       8.02216633       0.68870836      -0.01120023      -0.37326288
Li      10.68482525      11.84028723      11.61289336       0.00272821      -0.21747639      -0.36932524
Li       2.40136595       4.19886555       7.32513494      -0.24137648       0.06057553      -0.24165668
Li       3.51841459       0.49611899       8.49531357      -0.37757361      -0.57367252      -0.26797897
Li       1.76982119       6.79721179       5.17652971      -0.04772993       0.25793404       0.44023583
Li       2.41547746       0.52003474       1.13382029       0.39436746      -0.36201061       0.00920163
Li       0.52095937       9.60200247       1.61864886       0.03826353       0.05534820      -0.47882762
Li       3.18068223       8.70558240       7.66810769      -0.41436985       0.47240745      -0.08925438
Li       1.94406088       4.10035120       2.62654506       0.06894674      -0.48903120       0.37702758
Li       3.25110668       7.29578638       1.84866898       0.27761328      -0.35207313       0.67876914
Li       1.92081198       1.64698082       5.44749258       0.50588754       0.31274371       0.15216756
Cl       0.01125496       4.89443254       7.24962745      -0.01279086       0.44054163       0.44947175
Cl      10.68605971       0.73603774       9.16887820      -0.62366641       1.01809050       0.84274815
Cl      10.85365513      10.21229524       2.94029027      -1.20358949      -0.26460893       0.47973052
Cl       3.77536277       6.75245675       7.23159472      -0.43121187      -2.10417109      -1.15229626
Cl      11.66131546       6.39991092       0.08068265       0.09850395      -0.87958447      -0.04928327
Cl       9.16159250       3.13930378       6.49468560      -0.51071562      -0.23161036      -0.44787786
Cl       1.97304637       1.51977144       3.05629273      -0.73098426       1.02259405       0.27040641
Cl      10.68270731      10.32248850       7.32431197      -0.32494743       1.29010650      -0.83488510
Cl       3.63232332       5.75878098       0.25061736      -0.48616479      -0.70545828      -0.56563652
Cl      10.26757946       9.52182341      11.82881406       0.39078552       0.27825111       0.78434186
Cl       9.23302145       8.07350513       9.36705664      -1.25293991      -0.60436332      -0.37667368
Cl       2.71858457       3.80880198       5.01532441       0.82848235       1.43455848      -0.39868571
Cl      10.60313338       7.31805498       5.48695883      -0.97470427      -0.45516463      -0.83026823
Cl       1.27795138       2.14571274       7.64778759      -0.87997791      -1.19741412       0.21039434
Cl       8.78801253       5.72713295       2.73845688       0.48046371      -0.27606690      -0.43096508
Cl       4.33359058       2.27549995       0.63592102      -0.21497257       0.85511427       0.88248852
Cl       6.43911092       0.11871705       3.53756075       2.63101238       1.09322990       1.04274035
Cl       1.06577035       8.39718650       6.66120390       0.42749498       0.41739769       0.09661568
Cl       6.41588622       5.90894880       5.58404509       0.61452057       0.39473668       0.55307187
Cl       4.08408544       1.59288264       6.76924291       1.85172363       0.86901350      -2.36893049
Cl       8.41813592      12.02217571      11.27880385      -0.77057903       0.47708854      -0.06682873
Cl       3.98886297       2.18652237       9.59636271       0.58716899       1.15739788       1.44671339
Cl       0.25535065      11.86497633       1.09847736       0.53051671       0.81374680      -1.06695484
Cl       5.34633989       8.07758368       2.52502929       0.96120339      -0.43456423       0.66285197
Cl       3.88207051      11.67870676       3.12298961      -1.70266569      -1.71623033       0.08370020
Cl       5.34792531      11.51272097       0.22647166      -0.15795639      -1.43510346      -0.76478550
Cl       1.15977168       7.78711157       2.83006070      -0.08976613      -1.20547413       1.15805289
Cl       2.96213528       8.95246130       0.70782681      -0.35982260       1.63421551      -2.00293351
Cl       5.13642202       7.90248471       9.38499255       0.64674868       0.76628560       1.07400545
Cl       3.46505467      10.86779085       7.02206414      -0.15444468      -1.00076215       0.39934418
Cl       9.37902601       1.40162683       2.36879812       0.05139845       0.55575805       0.18369227
Cl      11.98921322       3.61478680       3.45122151      -1.31692446       1.56308842      -0.29879462
64
Lattice="12.1317 0.0 0.0 0.0 12.1317 0.0 0.0 0.0 12.1317" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.6857523 stress="-0.009308567561392292 -0.0013592752894575257 0.0018292247633326594 -0.0013592752894575257 -0.013839887377040923 0.00044383549277165937 0.0018292247633326594 0.00044383549277165937 -0.01422971298171623" free_energy=-219.6857523 pbc="T T T" config_type=density 
Li       6.12534386       0.60727408      11.00066161       0.11931216       0.08635330       0.26375191
Li       5.40564289       1.74245181       2.41363811       0.16995618      -0.26941085       0.66279551
Li       4.98435747       5.13736247       5.70021269       0.77433261       0.13969306      -0.00030158
Li       8.76973903       1.61100484       4.77786381       0.05405326      -0.24856684      -0.12678947
Li       4.34380371       4.03614380      11.61936618       0.03944771      -0.21393103      -0.65691116
Li       5.11580444       9.97137179       2.51393087      -0.00975877       0.61040895      -0.26862570
Li       7.76131573       6.98123529       4.13529618      -0.05938126       0.02477423       0.33984915
Li       6.04238729       7.11034084       8.33709835      -0.23430275       0.51536896      -0.22505703
Li       4.73928500      11.44511857       5.36985437      -0.15094106       0.55494684      -0.05271261
Li       4.19445035       9.18400019      11.29167683      -0.10824414      -0.22776848       0.33643583
Li       9.29320976       4.01077642       1.20389653       0.20449656       0.28241183       0.80292111
Li      11.90122196       1.30705723       2.61106940      -0.74331565      -0.15971985       0.17954034
Li      10.70783877       4.87640961       5.44154059      -0.15766806      -0.17449280       0.81790626
Li      10.83052665       3.27922277       8.12576413       0.24708345      -0.99692450       0.40835883
Li       8.52922808      11.19138406       2.40654107       0.04027641       0.38593909       0.04508988
Li      11.27643941       6.97092335       2.58947497      -1.01413443      -0.57485512       0.29627218
Li      11.05678285       7.78487549       7.74987554      -0.57111936       0.10514228      -0.23393672
Li      11.22399407       9.46203449       5.00544237      -0.19885281       0.67747934       0.08629372
Li       9.85609637       7.91197932      11.12095955      -0.02218958       0.08921433       0.25294487
Li       8.96246322      10.46097080       9.23353392       0.54443960       0.36957147      -0.04010805
Li       1.30965341       6.63688912       0.14084904      -0.21270667      -0.90004597      -0.96227865
Li      11.95983506       0.03239164       7.77872472       0.00308670      -0.18423391      -0.30281558
Li      10.78699811       0.57564916      11.54058292      -0.12716027      -0.57806959      -0.23957555
Li       2.27989825       4.15488888       7.45105964       0.37391336      -0.50856909      -0.50311759
Li       3.64772316       0.89435378       8.25281943      -0.42536415      -0.52733583       1.44320215
Li       1.66460269       6.92785581       5.24051832      -0.15787428      -0.33132111       0.30664768
Li       2.99161656       0.37844838       0.57607499      -0.12673414       0.55724031       0.52024939
Li       0.00099953      10.05654845       0.95056843       0.51845333      -0.23283939       0.88441941
Li       2.64483192       9.28289781       8.04086650      -0.16570156      -0.28953898      -0.57180709
Li       1.48655786       4.21333941       2.53713882      -0.12212122       0.85767244       0.38996892
Li       3.75661730       6.82188541       2.18821899       0.49939828      -0.02508231       0.67669135
Li       2.24578391       1.85510677       4.93219116       0.18384707       0.31574399      -0.13075822
Cl       0.15522753       4.58111190       7.25123841      -0.49898037       2.64103108      -0.23895881
Cl      10.47184081       0.67593708       9.19871594       0.42875049       0.25175232       0.00458414
Cl      10.62417856      10.66219931       2.88091480       0.55211166      -0.80412940       1.73066024
Cl       3.71238512       6.57291866       6.60131897      -0.84294187       0.90753542       0.85278858
Cl      10.74666021       5.91997844       0.36204390      -0.16951639       0.28019310      -0.79937931
Cl      10.32781326       2.30354293       6.25601440      -0.99205003      -0.05681614      -1.09909176
Cl       1.76370655       2.15136289       2.33609228       0.65680203       1.01783241       1.23363477
Cl      10.42986512       9.98016727       7.18446553      -0.53465254       1.18722160       0.00962039
Cl       3.29023836       5.04485826       1.04092776      -0.44373398      -0.98310166       0.16848313
Cl      10.33188951      10.31177516       0.01273829      -0.41770296      -1.78656849      -1.67404650
Cl       8.93271629       7.92900009       8.95189651      -0.08429393      -0.29379065       1.02938981
Cl       3.27975657       4.04912472       5.02788601      -1.12880363       0.81608104      -1.97966210
Cl      11.20720380       7.32700087       4.84178573      -1.70555172      -0.17668368      -0.65116224
Cl       0.90839622       1.96178081       7.93206941       1.05286821      -0.68024288       0.52351648
Cl       8.43014849       5.22568125       3.01688689      -0.52971385      -0.36683194      -0.28487473
Cl       4.76652067       2.24821025       0.47460545       0.71199502      -0.49539066       1.95626573
Cl       6.88575881      11.82625534       4.04563079       1.13059336       0.01206711       0.58207343
Cl       0.69698072       8.39755061       6.67705718       2.80058650       0.63336280       1.42996452
Cl       6.89749017       6.67322356       6.35999520       0.43814164      -0.47791861      -0.39715592
Cl       3.77622213       1.87347417       6.56146634       1.64422976       0.23289671      -1.04957041
Cl       8.53073241       0.12653363      11.11741709      -2.69461670       0.40788015       0.61791582
Cl       4.65065080       2.06737513       9.94401480      -0.08420473       0.09852037      -1.98831991
Cl       0.79978111      12.06842105       1.17504492      -0.19574639      -1.26671294      -1.64540644
Cl       6.21451185       8.13413501       2.95493030      -0.58408678      -0.02689526      -0.28548358
Cl       4.22538619      12.07138119       3.01310180      -1.49956065      -0.42118648       0.38599192
Cl       4.56131296      11.13011898      12.10538634       0.68752701      -0.30465448      -0.27387394
Cl       1.13637149       7.19762842       2.05324170      -1.36721381       0.37759757       3.32097507
Cl       3.02918844       7.85212151       0.52275010       2.46900304       2.92454813      -2.95686338
Cl       4.53803223       8.87883941       9.22922717       0.48112803      -0.43624309      -0.48017532
Cl       2.85132558      11.27582070       7.04882099      -0.06564564      -1.16004617      -0.15436367
Cl       9.39080928       1.47937589       2.54024453       0.21317999       0.73750661      -0.55069144
Cl      11.47849773       4.84069388       3.55582553       1.40757267      -1.91806867      -1.73532809
64
Lattice="12.134 0.0 0.0 0.0 12.134 0.0 0.0 0.0 12.134" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.69232374 stress="-0.00759964112690665 -0.00016542459586488058 0.0011359354869947182 -0.00016542459586488058 -0.014285816914848842 -0.0014440218637348378 0.0011359354869947182 -0.0014440218637348378 -0.013162619055987665" free_energy=-219.69232374 pbc="T T T" config_type=density 
Li      10.74949847       0.65301912      11.52251920      -0.16629513      -0.70349835      -0.33557022
Li       7.76595414       6.92129427       4.16970349      -0.47173605       0.59845043       0.44535420
Li       8.78722439       1.59041551       4.80861926       0.00597800      -0.22901548       0.37300693
Li       5.12979411      10.00610896       2.49868182       0.08363027       0.36320051      -0.39798356
Li      11.95594568      12.11759811       7.74879667       0.74946197      -0.01913832      -0.86232480
Li       4.31839353       3.98592193      11.62679880       0.58558719      -0.99713286      -1.34477439
Li      10.82776277       3.30231664       8.17260089       0.55609393      -0.94799366      -0.24514045
Li       6.14373542       0.58377645      10.93830351      -0.09011675       0.01443080       0.36127405
Li       4.86324653       5.21279067       5.73298738       0.91302616       0.24455975       0.06399524
Li       5.38745960       1.69127332       2.45189311       0.60255137      -0.33828916       1.25430353
Li       4.10769875       9.14218029      11.26630979       0.47852678       0.71865269      -0.02108094
Li      11.90597787       1.28958939       2.62959554      -0.66702882      -0.14336414       0.29078051
Li       1.67894518       6.83966885       5.20856804      -0.33738173      -0.32966837       0.17547240
Li       2.63649979       9.31470150       8.04686838       0.46861854      -0.07457590      -0.38776454
Li      10.70450559       4.76780049       5.42222351      -0.11046423      -0.29756127       0.87609433
Li       1.31811642       6.57444388       0.23426264       0.25613986      -0.28435903      -0.27922381
Li      11.25230716       6.98692708       2.53785037      -0.71568240      -0.38126912       0.37074948
Li       3.01787141       0.47486288       0.52414876       0.41296624      -0.01484309       0.39709924
Li       9.00720167      10.37659638       9.23557569       0.35791858       0.29028171       0.04656444
Li       1.40599085       4.15212133       2.54340774      -0.00900148       0.43873932       0.48294093
Li       9.82724166       7.97746190      11.04594422       0.02005365       0.05100883       0.60972286
Li       2.32494720       1.91623768       4.91733990      -0.16979370       0.39397236      -0.41909324
Li      11.24238155       9.51202461       4.97138474      -0.25232623      -0.17811568       0.18539201
Li       2.28239327       4.15579793       7.45442583       0.37485566      -0.46087372      -0.47807480
Li       9.27604258       4.00089528       1.14431992       0.12811661       0.41114807       1.08358067
Li      11.09068228       7.76957008       7.78112164      -0.21071568       0.04589886      -0.51795437
Li       3.64324563       0.87570471       8.31162012      -0.29549009       0.30728451       0.68196868
Li       0.04215740      10.08854735       0.99013683      -0.33857672      -0.15004809       0.39672926
Li       3.79054026       6.77317453       2.14847031       0.36933619       0.30836756       0.37735784
Li       5.98212267       7.14651344       8.34908992      -0.19725287       0.53169361      -0.03683681
Li       8.51765544      11.21426707       2.36875094      -0.27180289       0.37499247      -0.02996642
Li       4.77010595      11.55643373       5.34814544      -0.13705790       0.44058425      -0.05137529
Cl      10.75302946       5.98532605       0.46873885      -0.13054501       0.16436507      -1.03542208
Cl      11.48143348       4.97746387       3.55750679       1.79582860      -3.54074992      -2.81810879
Cl       1.85463336       2.01140464       2.46372376       0.53679882       1.86367312       1.55553264
Cl      10.66804292       0.67196029       9.14924228      -0.88283660       0.35257246       1.27391542
Cl       8.44284933       0.14869125      11.20812726      -2.11354785       1.24213537      -0.22128545
Cl      10.54275937      10.69956706       2.92376010       0.91599133      -0.74338787       1.28514721
Cl      11.29478829       7.13897823       4.84789702      -1.14950477       2.80406207       1.26009538
Cl      10.29516510       9.90190216       7.24496872       0.06736135       0.70900560      -0.21130856
Cl      10.56534075       2.22396806       6.08231311      -0.94907438       0.08405970      -0.51751225
Cl       9.35723117       1.65874207       2.74793844       0.38730652       0.43400419      -1.36607290
Cl       4.33017564      12.03628490       3.02999327      -2.62808540      -0.24589400       0.17520957
Cl       4.77745915      10.97519087       0.02924294       0.27722655       0.59746307      -0.10943019
Cl       3.43883627       4.97005000       0.97370618      -1.40925806       0.62354393       0.94521979
Cl       3.11914177       4.28318066       4.98539951      -1.12531079      -0.40075123      -1.70470640
Cl       0.20793065       4.65429905       7.24811143      -1.33744342       2.86826717      -0.20281312
Cl       0.94289674       2.14888286       7.91432870       1.20870799      -1.58234147       0.81141210
Cl       3.77451125       1.82598499       6.46936344       1.97977213       1.22301571      -0.73659247
Cl       3.17071127       8.07378159       0.50869004       0.17937737       0.20433233      -0.69370451
Cl       1.17630515       7.35316760       2.17694881      -0.45430830       0.37936002       1.76322415
Cl       0.85810435      12.09991559       1.15736519      -0.65061017      -1.51982768      -1.87692619
Cl       8.45177996       5.23270256       3.16776271      -0.35204717      -0.82453278      -0.63879517
Cl       0.98468502       8.30658451       6.85237315       0.20955353       0.82546729       0.87010565
Cl       2.97349737      11.42593256       7.07203495      -0.64981509      -2.67197834       0.04556332
Cl       4.71340376       2.21756130       0.64834874       0.41030272      -0.24798369      -0.19330890
Cl       4.61014342       2.09761671       9.89056901       0.16280041       0.21397275      -0.64623141
Cl       6.20415060       8.15224003       2.89293974      -0.31903643      -0.36663124      -0.07626509
Cl       6.83208510      11.70439573       3.95693380       2.09011189      -0.01562333       0.92208896
Cl      10.20701159      10.43221863      12.05715538       1.07005464      -2.27813752      -0.65529229
Cl       6.83163614       6.72654357       6.40396118       0.31276355      -0.54540762      -0.52411060
Cl       4.75158946       8.93208008       9.36449944       0.29029948      -0.44817878      -1.51156163
Cl       3.53867482       6.64916505       6.56143623       0.19463904       0.89702086       1.20929855
Cl       8.84928980       7.72063365       9.07353825       0.14038922      -0.03841474       0.55741229
64
Lattice="12.1757 0.0 0.0 0.0 12.1757 0.0 0.0 0.0 12.1757" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.0948922 stress="-0.006224725364560757 -0.001233635021470412 -0.002397489015962553 -0.001233635021470412 -0.0058845000717164374 -0.0011704625854942448 -0.002397489015962553 -0.0011704625854942448 -0.01322725806560465" free_energy=-219.0948922 pbc="T T T" config_type=density 
Li       4.19707337       6.95756025       1.87009011       0.13754772      -0.04437427      -0.14634447
Li      11.62791526       0.97596271       3.35177540      -0.49028870       0.40869101      -0.32862474
Li       5.25500777       1.65728323       2.31116702      -0.01663659      -0.06843896      -0.13944902
Li       4.80377633       4.76335300       6.32163562       0.09571059       1.01702218       0.54476207
Li      11.14372420       0.58224197      11.21220033      -0.67235508       0.16832634       0.31369151
Li       6.23711191       0.97335346      11.79636607      -0.06371639       0.45988096       0.31785596
Li       4.43594843       4.47821028      10.84275307      -0.00541016      -0.36554071       1.08814691
Li      12.17266253      11.72771947       7.87275892      -0.12561277       0.73452938      -0.09973781
Li      10.67248808       2.77995582       8.60982709       0.62466517       0.09675666      -0.14396416
Li       8.69130688       0.76597816       5.60281881       0.55262714       0.37440907       0.16473142
Li      10.53829969       4.20862811       5.56959133       0.40236648       0.01407394      -0.32471452
Li       5.24289295      11.59177778       5.33563525       0.14141246      -0.00212722       0.36344094
Li       7.38400197       7.07684558       4.70669947      -0.31848743      -0.05749496      -0.29485296
Li       6.76798460       7.43235167       8.80539319      -0.46952242      -0.21063954      -0.34945899
Li       9.05814854       3.30176980       2.33383818       0.41898297       0.15132488      -0.04102044
Li       5.28454602      10.15957454       1.82041326      -0.34825345      -0.13554959      -0.01210741
Li       8.61736385      11.45450894       1.57799507       1.28871685       0.29354568      -0.10452404
Li       3.79836790       9.82345217      10.54916041       0.66443079       0.05683271       0.48247603
Li      10.65561256       6.59505313       2.67466037       0.07574244      -0.63610532       0.37247906
Li       3.71805698       8.82754078       6.70318553      -0.39483193       0.18888303       0.23721230
Li       2.63920473       1.68029530       0.34413520       0.64705917       0.22405260       0.19528251
Li       1.28877349       6.83739827       0.30890725       1.37864386      -0.75020737      -0.20565534
Li      12.09915722      10.20453940       0.60737262      -0.20475898       0.06068886       0.90342204
Li       8.99125525      10.56262674       9.01108946       0.51791929       0.16833402       0.05362849
Li      10.85741261       7.28119036       7.41955501       0.38642901       0.06380898      -0.01849184
Li       3.57310527       1.27642733       8.52577824      -0.28961816       0.52803777      -0.25653882
Li       2.03003011       4.48607579       8.05141296      -0.12286600      -0.57999657       0.03901415
Li       1.56143612       6.45489865       4.48280052      -0.48913257      -0.18910617       0.54814226
Li       1.40982430       3.91628955       2.36582374       0.30417341      -0.04315332       0.22181910
Li       2.55941737       2.03028580       4.80233959       0.97814975      -1.54338453       0.39988859
Li       9.32426064       8.45760649      11.60820280      -0.94644499      -2.85156565       0.00601823
Li      11.56585571       9.67979108       4.81951951       0.11950179      -0.34452485       0.24793304
Cl      11.34273601       4.12474971       3.24679651       0.27911590      -0.05783307      -0.82307908
Cl       9.79499755       1.37413733       0.70588743      -0.18877507       0.42321028      -0.91939704
Cl      10.66762997      10.16425001       7.25073893      -0.24467296      -0.35367346      -0.53462812
Cl      11.53049748       5.04737556       7.90649778      -0.25261805       0.13306946       0.27748487
Cl      10.03619817       0.49721541       9.10535373       0.09321247      -0.14366881       1.23607162
Cl      11.30435821       6.97822241       5.21680042      -1.18667803      -0.18574345      -1.13903010
Cl      10.73863866      11.16206080       2.61273476       0.16382127      -1.71361842       0.96574262
Cl      11.47003296       7.36790569       0.38796529      -1.12908522       0.25615562       0.34408284
Cl      10.37274670       2.00684758       6.58123372      -0.25522020       0.35934516      -0.51929827
Cl       9.34327908       1.66013234       3.77734047      -0.86663522      -0.41976979       0.00953590
Cl       3.23475475       2.31958043       2.77328354       0.38023117       0.71048203      -0.75879571
Cl       4.72609536      11.63738795      11.70301497      -0.98247746      -0.66597712      -0.93168085
Cl       2.74790938       4.83635850       0.02869131      -0.86992216       0.39200500      -0.63466197
Cl       1.03929218       0.70806444       1.83036081      -0.30834937      -0.62666632      -1.32905640
Cl       1.91752664       3.86755023       4.77052449      -1.63431167       3.33363772       0.99548826
Cl       1.12240473       2.10838074       8.15581959      -0.05120742      -0.79059776       0.22504578
Cl       3.77457658       2.35338017      10.50191870      -2.40721174      -2.27938511      -3.27564357
Cl       3.93511319       8.66538481       0.43287536      -0.55985352      -0.24176764       0.23944039
Cl       2.02421013       6.26236431       2.33331462      -0.15037792       1.03293542       1.52346722
Cl       1.24783879       8.61645067       6.15626526       1.43865489       0.42122166       0.13115577
Cl       8.63422720       5.43658398       3.58821532      -0.65454777       0.18919696       0.20650075
Cl       3.64584291      11.14227529       6.61152686      -0.29645959       0.11198327       1.14294019
Cl       4.18117191       2.82045220       6.38787142       0.66039744      -1.96715829       0.17031788
Cl       4.21150158       4.77568699       8.85017541       0.04503489       1.46806386      -1.89935875
Cl       6.56596539       8.11831843       2.87429315      -0.41198812       0.25670493      -0.12907756
Cl       6.62815886      11.94115949       1.76419805       1.58943900       0.51273640      -0.60855012
Cl      10.14916432      10.12589655      11.67845659       1.27098440       3.58601049      -0.13712635
Cl       4.50998886      11.87737100       3.48747358      -1.11490744      -0.64001738       0.16957442
Cl       5.49338362       7.40765935       6.70411088       0.97303178      -1.09556075      -1.71115482
Cl       4.99389988       8.44549167       9.32429717      -0.83441206       0.81604755       0.78291565
Cl       5.06298480       2.85738110       0.32585948       3.61157667       0.57687963       3.23088481
Cl       8.59964821       8.41518635       9.48395712       0.11806786      -0.58523710      -0.33457028
64
Lattice="12.1949 0.0 0.0 0.0 12.1949 0.0 0.0 0.0 12.1949" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.12161416 stress="-0.002172939740102841 -0.001138449804047971 -0.002739659156808987 -0.001138449804047971 -0.0087034606291017 -0.0019452791530834952 -0.002739659156808987 -0.0019452791530834952 -0.0031204075475172485" free_energy=-221.12161416 pbc="T T T" config_type=density 
Li       0.07391500       0.13646093       7.80318725      -0.68738919      -0.75752463       0.04500660
Li       4.35270127       6.95809287       1.63026301      -0.03451078       0.31013704       0.75250272
Li      10.29287364       3.10244353       8.54200307       0.41134156       0.20816599       0.25584491
Li       4.96772666      10.37676236       1.79767460       0.17582182       0.61595188       0.23125770
Li       7.18452778       7.53791159       4.44617518      -0.25128882      -0.35264819      -0.16277099
Li       4.22477677       4.94356856      10.52939373      -0.16747297       0.05020977      -0.50712588
Li       6.19203364       1.46590015      11.34691543      -0.42093840      -0.06458004       0.51200102
Li       5.43093774       3.97278135       6.75164541      -0.43546398       0.73624449      -0.30700535
Li       5.27446498       1.97940300       2.66717097      -0.25781699      -0.67023732       1.04326014
Li      11.24145394       1.12549903      11.47509603      -0.11279856      -0.08059038       0.65428267
Li       3.65275059       9.80368742      10.67364720       0.78304654      -0.01994373       0.24205904
Li       6.87699679       7.24094138       8.43766350      -0.44647732       0.19752208      -0.06492332
Li       1.68273767       6.65326915       4.93106879      -0.37550992      -0.85638100      -0.41654077
Li       8.70915856      11.51042465       2.18500901       0.69972131       0.31558865      -0.48458520
Li       5.64378753      11.50258333       5.22978287      -0.60730744       0.13933849      -0.46856751
Li       3.98314702       8.48805283       6.67401268      -0.07028696      -0.25808466      -0.00516784
Li       1.31181759       6.82964399      12.12009709      -0.25267060       0.08682212       0.45749922
Li       2.78674196       1.60365374       0.24502359       0.79790861       0.33446172      -0.01007141
Li       9.29337964      10.67335452       9.16332103       0.47469268      -0.71160888       0.17572309
Li       1.48197303       4.17438744       2.49301560      -0.13047902       0.39549947       0.42095641
Li       8.92375222       8.27305674      11.69678711      -0.09800354      -1.17398043      -0.33204794
Li      12.00187912       9.27039225       4.73042610       0.10159406      -0.38146297       0.31220282
Li       2.66823193       1.33386597       4.82349758      -0.38064325       1.34013389       0.65297057
Li      10.10969405       5.98274477       2.62324494       0.89724480      -0.13496405       0.16868120
Li      11.74198141       0.88974112       2.88126463       0.05622582       0.64426507      -0.57668471
Li       4.20605759       0.85714050       8.65670830      -0.38124849       1.00549592       0.61428231
Li      10.85474146       7.54760653       7.56008192      -0.09500375      -0.17740007      -0.06693392
Li       8.67447627       3.27359896       2.75551082       0.46368996       0.26680620      -0.01829470
Li      11.87741797       9.85268653       0.93700246       0.03724996      -0.07271062       0.23303291
Li      11.13662658       4.25099580       5.36557308       0.42289784       0.18054550       0.09852269
Li       1.53824030       3.73032235       7.87700298       1.18486571       0.83849640      -0.75109216
Li       8.60839210       0.82322892       5.80915037       0.19306834       0.67527077      -0.44359262
Cl       9.88071041       2.44421161       6.58206313      -1.10559578      -0.49901679      -1.16288889
Cl       2.80224168       2.36527402       2.75336452      -0.40042245       0.99921841      -0.62372467
Cl      10.40509111       0.34816561       9.57506963      -0.46998789       0.35798626       0.15668798
Cl       9.85927178       1.45183943       1.66506726      -0.28891379      -0.87000940      -1.10117009
Cl      11.88602757      10.87491183       3.11776033      -0.37530310      -0.37611363       0.06023273
Cl      11.45020624       7.66503123       0.24671258       0.18187848      -1.42898217       0.21159897
Cl      11.48637631       6.84303399       5.36736573      -0.61104088       0.72029594      -0.55924830
Cl      10.74967021      10.26271565       7.17235727       0.06512751       0.04957056      -0.25242710
Cl      10.82187621       5.24592891       8.00380555       0.06151273      -0.06329555       0.53902889
Cl      11.36051275       3.71227390       2.93223932      -0.44079126       0.78007266       0.20195401
Cl       3.99792724       0.10755902       3.95283050       1.32797329      -2.04082775      -0.38493155
Cl       8.12510822       5.71701790       3.51875303       0.70552174      -0.40220107      -0.82119865
Cl       3.28195246       5.94834296       0.09006141       1.07553722      -1.51531680      -1.88466371
Cl       0.74678519       0.98877469       0.72219417      -0.17720573      -0.44767797      -0.57078897
Cl       1.39735262       4.22597187       5.28340384      -0.44750030       0.50080338       0.19689465
Cl       3.62483647       2.71404816       6.61237965       0.37283705      -1.00993703       0.36284181
Cl       3.63355582       2.82753390      10.26119129      -0.30609022      -0.40163909      -0.41880843
Cl       0.19158310       2.20405745       8.09804773       0.79287728      -0.30332006       0.66748627
Cl       4.29805592       5.61500756       7.96456236      -0.04556068       0.01040544       1.63947326
Cl       1.52103329       6.58822156       2.17086293      -0.42356556      -0.23107020       1.86265646
Cl       7.73276170       1.68889609       3.83043028       0.90774533       2.38446478       4.36870448
Cl       3.61690978       8.88098470       0.78236259      -0.26576126       1.26715406      -0.85566681
Cl       4.51586903      11.64405637       7.16477204       0.42985687      -0.63318810      -0.38837320
Cl       5.43731567       2.74944996       0.76996282       0.60921190       1.01009419      -0.93755906
Cl       5.89789266       8.82841249       3.16312536       0.35240743       0.06329695       0.20471781
Cl       6.79846163       0.13048543       2.28354380      -2.38187102      -3.82704557      -3.18458752
Cl      10.03089061       9.91917313      11.81078504      -0.63264284       3.29354369       0.04597242
Cl       5.75422454       6.21582589       5.47421744       0.10669299       0.35543590       0.21505610
Cl       5.05329827       8.91098416       8.74682861       0.21174313      -0.33102526       0.36860592
Cl       4.60102602      12.06679258      11.19201581      -0.23526570      -0.71428429      -0.36077038
Cl       1.97484211       8.76799896       5.28223313       0.84384131       0.60059249       0.54506641
Cl       9.12569976       7.88525892       9.40631661      -0.93130483       0.07317754      -0.39485254
64
Lattice="12.2271 0.0 0.0 0.0 12.2271 0.0 0.0 0.0 12.2271" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.55368165 stress="-0.011157249068504196 0.003657856976513435 0.0008829881310423876 0.003657856976513435 -0.005871708766604417 0.002244747197849013 0.0008829881310423876 0.002244747197849013 -0.014010952730536812" free_energy=-218.55368165 pbc="T T T" config_type=density 
Li       4.39856473       8.67665584       6.51710544      -0.82257565       0.35457401       0.60819466
Li       6.03334022       0.94786191      11.52366271      -0.35323196       0.17687160       0.20057454
Li       4.31990779       4.06970465      10.88480896       0.26100726       0.18334540      -0.18796440
Li       4.30730165       0.39882233       8.41208585       0.21283488       0.15462365      -0.11333416
Li      10.27303824       1.52952462      11.63702015       0.40876552      -0.25239447      -0.37964903
Li       6.87719353       6.59095712       3.70616851       0.05261597       0.63050665       0.45494624
Li      10.20303809       3.65768806       8.96910362      -0.46874718       0.42359483      -0.36659445
Li       8.95386865      11.28584561       1.72563508      -0.58621671       0.67079738       0.48672916
Li       5.98688947      10.86437748       4.40222063       0.22180886      -0.73602002       0.26274190
Li      11.32978981       0.79405355       7.62409816       0.84885752       0.46607761      -1.13008696
Li       7.21128681       7.49106731       8.77218617       0.11270469      -0.13037154      -0.58367647
Li       8.37424297       1.04958649       6.15404616      -0.59789129      -0.00044103      -0.77605109
Li       4.42903466       9.19049972      10.53299861      -0.48865389       0.98794302       1.06506371
Li       8.91886246       3.27768202       2.85835362       0.30295565      -0.92994985       0.05229335
Li      12.09548750       1.36416532       2.55964557      -0.03786430       0.22337214       0.54931443
Li      10.54962747      10.23358139       9.22960198      -0.24308145       0.40039353       0.20296424
Li      11.48815521       9.91142176       1.31314163      -0.27420325      -0.55791056       0.31522442
Li       5.44835908       3.88509989       7.58236707      -0.39179554      -0.37833486       0.45476192
Li      10.87182378       4.17281578       5.75557719      -0.01113477       0.27534570      -0.16364318
Li       1.29663505       6.44207995      12.12307183      -0.60763276       0.35866589       0.42941872
Li       2.22228765       1.55856398       0.16434690       0.15114983      -0.13285462       0.14271327
Li      11.00260484       6.12989763       2.72275508       0.16902034      -0.05904077       0.29104409
Li       1.59876669       7.42861129       4.70684660      -0.60021460      -0.48373184      -0.25497688
Li       3.68878157       7.49029701       1.63113182       0.05402223      -0.18828586       0.36284847
Li       9.14903762       7.95076959      11.76399859       0.25728186       0.16626088       0.29434652
Li       2.01754486       3.90433312       2.68650173      -0.37222876       0.01944598       0.61870183
Li      11.91398842      10.25500327       5.35500517       0.49063123      -0.47558507      -1.10096361
Li       4.02931853      11.19113450       1.61000339       0.70152233       0.36475582       0.43875711
Li       5.23887217       2.05590128       2.48191789       0.37561623      -0.77029660       0.57907603
Li       1.78919154       3.96007647       7.61876715      -0.28343407      -0.06751706      -0.13190745
Li      10.65097790       7.68890179       6.88889487       0.09654770       0.15619112       0.02601194
Li       3.37527873       1.43544931       4.76362925      -0.69827879       0.88707185       1.03868606
Cl      10.68710898       5.65690450       7.59678282      -0.41476087      -0.28871336       1.04794455
Cl      11.30005351       7.51867610       0.25711757       1.25242604      -0.66282181      -0.23021456
Cl      10.28454394       0.88013478       9.29218028      -1.63101350      -1.39328334       3.56575794
Cl       9.17225688       9.11827424       1.48503020      -0.78230918       0.25783752      -0.16417447
Cl      12.02448473       2.93303675       8.29721224       2.87218981       0.16631802      -0.15603175
Cl      10.93704313      11.15658071       3.21154563       0.99122898      -0.22303278       0.72282827
Cl       9.37298918       2.60580287       7.12720104      -0.88986634       0.47586618      -1.17538892
Cl      11.18856681      10.76389517       7.22824580      -0.63593936       0.32656484       0.25955645
Cl      11.22008827       6.92361983       4.91496407       0.60029419       0.82266441      -0.85270486
Cl       2.43901300       1.62835627       2.75291934      -1.66362405       0.26266291      -0.16525949
Cl      11.71317053       3.90234010       3.24733435      -0.20412316      -0.85734772       0.01989177
Cl       3.15393154       5.52326229       0.43574083       1.77312911      -0.95210627      -2.25552886
Cl       0.10315503       1.59877891       0.42453592       1.49753137       0.22223002      -1.87455708
Cl       2.38274389       3.53888955       5.49638713      -2.60642025       2.69885864      -5.04688131
Cl       3.46722652       2.60934873       7.33704253       3.01640201      -3.25125079       4.24796107
Cl       1.64680696       6.14954658       2.52912673      -0.91272848       1.60614122       1.81236545
Cl       3.19622508       9.40775083       0.61714942      -0.59343971      -0.07027769      -0.68054606
Cl       1.36750332       8.91141616       6.37044137       0.60648661      -0.14186547      -0.27522462
Cl       4.23219058       2.24070166       0.57207422       0.95677996       0.69789343      -1.18902539
Cl       6.44302144       0.07041624       2.06542619       0.73952560      -1.31697913      -2.66266726
Cl       7.51203679       1.78388498       3.97130094       0.36799874       0.87997015       1.52003208
Cl       5.53081864       2.40461817       9.73522925       0.99966382       0.02504122       0.13970191
Cl       4.98138168       5.57309995       8.90571833      -0.08824406      -0.91482669       0.21149974
Cl       5.35960256       8.33684027       2.99049189       0.07170952      -0.47957091      -0.32407586
Cl       4.37276555      12.09320103       3.90863706      -0.79428187      -0.58724006      -0.26400870
Cl       6.31594519       8.19452906       6.03518652       2.13980959      -1.36836523      -0.80413199
Cl       4.85557704      10.84298005       6.55482604      -0.04455612       1.07757041       0.95785706
Cl       5.32183305       8.40038451       8.90861615      -0.17872836       1.04461812       0.18711361
Cl       4.66527446      11.69759321      10.61274376      -0.44107221      -0.83407789      -0.05652820
Cl       9.91144621       1.23962008       1.54603121      -2.42938212       0.25704460       0.28719740
Cl       8.85094092       5.19693322       3.76312234      -1.07023854       0.81823647      -0.24550562
Cl       9.43060328       8.33549529       9.57394157      -0.38460429      -0.03486191      -0.24281726
64
Lattice="12.2606 0.0 0.0 0.0 12.2606 0.0 0.0 0.0 12.2606" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.67987464 stress="-0.0039747240830541024 0.0025986394296036407 -0.001141638010600036 0.0025986394296036407 0.0003244879517343161 0.0019139265048499202 -0.001141638010600036 0.0019139265048499202 -0.001999858903446059" free_energy=-223.67987464 pbc="T T T" config_type=density 
Li       4.40817612       8.58824378       6.72744026       0.78380121       0.40235655       0.06165839
Li       4.28538621       3.72806838      11.65422751      -0.40362335       0.20697999      -0.51663880
Li       4.34413901       0.04594402       8.11363596       0.47700622       0.28363025      -0.11742415
Li       8.61475120      11.20680143       2.02462966      -0.15039170       0.64959192      -0.40845337
Li       6.33307806       3.52660220       8.33475588      -0.65584990      -0.33718945       0.09188569
Li      10.37582700       1.40978509      11.73767315       0.63156302       0.13213011      -0.44452218
Li       6.92634398       6.84988687       4.14007358       0.16034470       0.19328803       0.51533704
Li      10.78329578       4.15975185       5.64184996       0.15273869      -0.00794781       0.15334464
Li      10.85971610       3.71030277       8.75806536       0.09248434      -0.87601581       0.23592286
Li      10.28432615      10.95686910       9.64323163      -0.15399981      -0.81419541      -0.28403409
Li       7.22357770       8.43422613       8.32041098       0.28014807       0.31744173       0.61281692
Li      11.03034687       0.97981198       7.51948728       0.35018225      -0.23403205      -0.25929368
Li       4.01231813       9.21311752      10.73755149      -0.15426026       0.45316305       0.37088311
Li       9.09552611       3.33841425       2.27062634       0.09363414      -0.28983126       0.08110373
Li      11.88282639       1.19154273       2.75585184      -0.48580648       0.65428120      -0.06451173
Li       5.22395967      10.33380993       4.20911302      -0.19803375       0.00645357       0.33216274
Li       7.29470144       1.31893404       5.79335419      -0.07685209      -0.54168884      -0.00576204
Li       6.37445759       0.39883364      11.05653552      -0.44072060      -0.17725583      -0.23104346
Li       2.73296130       4.09853467       7.33644879       0.09327173      -0.62871775      -0.03585043
Li       1.59124197       7.51437461       4.68323042      -0.44456772      -0.37944370      -0.48507768
Li       0.14888660       9.61266596       1.34894799      -0.08204624      -0.03837265       0.37257174
Li       3.64696451       7.40931353       1.84869005      -0.63662120       0.28536371       0.52737154
Li      11.02017058       6.39644084       2.87489001       0.39337853       0.15375118       0.32737609
Li       1.72026026       1.74926884       0.37203074      -0.11425825       0.54194853      -1.22834167
Li       3.55357552      11.86389603       1.69161950       0.44897679      -0.02759940       0.21469245
Li       9.56977838       7.84018780      11.67535252       0.50854111       0.56964769      -0.08132326
Li       0.80534855       5.80686537      12.06847640      -1.80141730       0.34393104      -0.34373239
Li       2.42830991       4.17919716       2.66075863      -0.42761456       0.02072780       0.23732543
Li       5.93177636       1.93034565       2.31357522      -0.31115173      -1.08237876      -0.11722053
Li      10.89066186       7.72530598       7.51705968      -0.16381120       0.21990394      -0.42334613
Li       3.17475976       1.68064627       4.98290401      -0.03427057      -0.29516463      -0.55069881
Li      11.60275751      10.55040569       5.19144456       0.05078091      -0.23081282      -0.08654822
Cl       9.16752035       2.07000614       7.09677858      -0.40702297       0.66772620      -0.41958906
Cl      10.75729105       5.48730509       7.70928137      -0.71365218       0.93132870       0.10372723
Cl       9.93027680       9.85683581       0.54853924      -0.71624327       0.58575795       0.11467763
Cl       0.28125816       3.07287418       7.44468536       0.76124992      -0.73212678      -0.32627866
Cl      11.11476111       0.66375578       9.69923805       0.05912909       0.60245456       1.08394299
Cl      11.20396923       7.29814667       5.08189609       0.04109732      -0.11229531      -0.18530564
Cl      11.92131242      11.33497374       2.98358023      -0.56104967      -0.64928087       0.07468107
Cl      11.76448708       7.55804687       0.21065182      -0.12384982      -0.68374856      -0.53879276
Cl      10.98081405      10.76671945       7.38813948      -0.05875068       0.05402601      -0.50561321
Cl       7.33250087       0.69133355       3.49018822       2.83438129       0.85565991       1.65483098
Cl       1.77176705       1.46310644       2.36495939       0.17356584       0.01996584       1.64167317
Cl       8.86604446       5.61378544       3.29130903      -1.13155257       0.12721050      -0.45843607
Cl       2.52256941       5.12284650       0.41953689       2.98636688      -1.33308805      -0.09532237
Cl       4.19725702       1.82872979       0.65038560       0.22333760       1.23944045      -0.60640769
Cl       2.98174114       3.97222597       4.94853755      -0.64196463       1.25433261      -1.35862109
Cl       4.19935358       2.20547351       6.78090874       0.31369906      -0.53099914       1.38129998
Cl       1.39530532       6.81066522       2.48881598      -0.14636743      -0.25752978       1.24081748
Cl       2.97971814       9.63306760       2.06240457      -0.03431627       0.43939632      -0.85369140
Cl       1.28437141       9.51738883       5.23100951       1.13171441       0.42965456       0.75727268
Cl       4.80316361       0.25267258       4.06921958      -2.83796865       0.09952843      -0.41999090
Cl      11.99846837       2.97196944      12.20287158       0.18697439       0.30642084      -0.30956280
Cl       6.30230396       1.27436676       8.76959032       0.63933651       0.06248015       1.23636269
Cl       4.68418675       7.71852586       4.00898325       0.29359509      -0.24138551      -0.07704315
Cl       6.42988776      12.05410697       0.92352847       0.12028131      -1.06860025      -0.31604246
Cl       6.97265226       8.10958996       6.28207397       0.18340994      -0.77047752      -0.99706827
Cl       5.67210912      11.02736755       6.73220964      -0.48418064      -0.58774323      -0.01295244
Cl       5.08800187       8.33839728       9.17594339       0.03603368      -0.48773047      -0.49949032
Cl       4.27280684      11.32303192      11.07929119      -0.67251190       0.10217205      -0.66520427
Cl       9.09861578       1.20771324       1.11260531       0.43979312       0.74743029      -0.09640691
Cl      10.97445080       3.30695355       3.36430864       0.74842042      -0.13856901       0.65388564
Cl       4.50948546       4.73297168       9.35820946       0.14814092      -0.33590836       0.17535695
Cl       9.66582792       8.51713231       9.43222671      -0.57265107      -0.06944666       0.17266126
64
Lattice="12.2744 0.0 0.0 0.0 12.2744 0.0 0.0 0.0 12.2744" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.2642415 stress="-0.00961463387370382 -3.689368527327846e-06 -0.0010500306072123156 -3.689368527327846e-06 -0.005379566196451143 0.0008700935289543329 -0.0010500306072123156 0.0008700935289543329 -0.007368449118989916" free_energy=-220.2642415 pbc="T T T" config_type=density 
Li       8.68089756      11.24261394       2.02503051       0.50783801       0.47212329       0.20195063
Li      10.16508118      10.77997953       9.61440250       0.28690188       0.14811532       0.17712690
Li      11.38715727       3.80719975       9.22801666      -0.15593843      -0.39683024      -0.78409023
Li      10.81849659       1.22450887      11.75505786      -0.22834604       0.30710563       0.72004340
Li       6.98484552       6.82676352       4.20689103       0.34391075       0.15669682       0.81411437
Li       6.34953485       3.39799580       8.47332518       1.22911406      -0.94172084      -0.49381420
Li       4.12460346       3.65615098      11.35969944      -0.15639777      -0.15333778       0.33484298
Li       6.34699404       0.24303189      11.21554888      -0.43746783      -0.40833505      -0.00016589
Li       7.44200554       9.08509355       8.28900052      -0.68035078      -0.66625162      -0.30202410
Li       4.27318507       0.08934020       8.07856820       0.37910332      -0.42233216      -0.04393683
Li      10.83142154       4.15353422       5.54167066      -0.06596261      -0.71975142       0.30586797
Li       7.05585292       1.35643167       5.65720959       0.31895146      -0.25699190       0.35634761
Li      11.06910302       0.63480496       7.47213920      -0.08309067       0.68617256       0.00074929
Li       6.20537202       1.45898428       2.25334663      -0.65325422       0.15103496       0.94004793
Li       4.92894489      10.57289812       4.20036105       0.16044304      -0.77200679      -0.10179651
Li       3.64574229       9.04205950      10.80868935       0.49250015       0.00267789      -0.27613431
Li       1.56356217       7.27202965       4.79154525       0.80374104       0.33131864      -0.10817584
Li       1.73278932       2.33044213       0.12578682      -0.03041782      -0.44695764       0.47883416
Li       9.58364286       8.22395847      11.47841743       0.33217868       0.35813932      -0.04866954
Li       2.45500274       4.23324417       2.87898507      -0.23813160      -0.27283142       0.33666268
Li      11.77693084       9.76051696       5.13959814       0.55850616       1.43399415      -0.26147684
Li       3.15487676       1.65683534       4.95549441      -0.32410219      -0.03424182      -0.10867029
Li       2.99661064       3.89593138       7.24076676       0.06487204      -0.47862003       0.97157626
Li      11.13506564       6.78969483       2.75846274      -0.02870394       0.15605728       0.28203057
Li      11.89731816       1.73567381       2.74110673       0.02433614      -0.72801454      -0.53163503
Li      10.93558209       7.97143724       7.39188917       0.15781646      -0.51873572      -0.42070958
Li       3.46473171      12.12185376       1.82897152      -0.43637960      -0.24950627      -0.88813475
Li       8.89313421       3.77186175       2.08977797       0.60704867      -0.03935275       0.25333316
Li       3.66950553       7.62423129       2.44265470      -0.13274876       0.24296707       0.23367226
Li       0.12577578       9.68887129       1.29682718      -0.24211468       0.15132745       0.33112426
Li       0.50367755       5.50951173      12.22023307      -1.12447122       0.51488295      -0.08024907
Li       4.36644596       8.15759079       6.71478417       0.58614953       0.79566917       0.06512913
Cl      11.03296718       5.54515659       7.24221513      -0.42091034       0.83063816       0.99828284
Cl       9.33770070       2.34728261       7.07735767      -1.07588001      -0.03504646      -0.99087163
Cl       1.63391903       1.23707540       2.38220328      -0.89052756      -0.26942874       0.34986245
Cl      12.01565565       3.23731163       0.22719914      -2.03699553      -0.49595784      -0.99906637
Cl      11.40116236      10.89381231       2.99772761      -0.02612225      -0.13194783       0.60370686
Cl      10.40827387      10.29528802       0.17536681      -0.95942701       0.83053241      -1.18935429
Cl      11.57231659       7.58173731       0.14098253       0.57295436      -1.26465701       0.37838370
Cl      11.85351082       7.71126906       5.13267538      -2.23914740      -1.57053951      -0.62167875
Cl      11.14707001      10.47540256       7.54718488       0.42035008       0.94472894      -0.64868726
Cl      10.58549166       1.52864150       9.67886765       0.08923617      -0.88299454       0.30016291
Cl       8.64936462       6.08551250       2.95642426       0.50249315      -0.31661311      -0.54344909
Cl       6.84402132       7.48802227       6.59929434       0.67071804      -0.14060762       0.10076399
Cl       9.33750431       1.81211877       1.09852198      -0.55275964      -0.22860541      -0.78176885
Cl       2.07406674       4.42959775       0.61985352       3.30907570       0.95251110      -0.72250055
Cl       2.16069946       3.86353924       5.35242396       0.05451370       0.67679247      -2.53423128
Cl       0.39546030       2.99618104       7.53676391       0.52526520      -0.86931767       0.72885304
Cl       1.67527148       6.42416320       2.60844502      -0.21793831       0.82599251       0.84968952
Cl       3.54294419       9.78463616       2.03724354      -0.48222560       0.08083527      -1.03211778
Cl       1.89666484       9.51569178       5.36649042       0.06566803      -0.41601813      -0.07956577
Cl       3.85246773       2.15243878       0.95778002       2.41550288       0.02083699      -1.11350079
Cl       7.53916969      12.25130596       3.92564771       0.35062177       0.18385627       0.93649985
Cl       4.41938545       2.06373170       6.72951345       0.65340086      -0.26715923      -0.57678307
Cl       4.32434477       0.24647118       3.63130759       0.71923802       1.47686679       0.70075398
Cl       6.05924529       1.11710542       9.26410340       0.97501766       0.41506552      -0.21928752
Cl       4.52249041       3.83694062       9.17177536      -1.68203968       1.53156098       1.14712692
Cl       5.15475702       7.90660386       4.11119981      -0.79320243      -0.15785290      -0.51071432
Cl       6.88485825      12.26620070       1.06792926      -0.37909533      -1.54808390      -1.93873751
Cl       4.41367785      10.76517660       6.27882203       0.86789484       0.10890744       1.42463314
Cl       5.05592356       8.33936238       9.11460121      -0.16512330      -1.63424889      -0.33501061
Cl       4.67457022      10.83185114      10.29301725      -0.44755214       1.75185187       1.00825876
Cl      10.42763060       2.82866003       3.58249230      -0.44290948       1.65529684       1.74385311
Cl       9.65997735       8.55456943       9.15558543      -1.21562767      -0.45965928       1.21272383
64
Lattice="12.2986 0.0 0.0 0.0 12.2986 0.0 0.0 0.0 12.2986" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.97468516 stress="-0.0016228553557982364 0.0016257860376837675 0.0018344510161011083 0.0016257860376837675 -0.004993498735492222 -0.0004941390416773706 0.0018344510161011083 -0.0004941390416773706 -0.0032534818772959094" free_energy=-222.97468516 pbc="T T T" config_type=density 
Li       4.35759076       3.80293620      10.98208406       0.03228098      -0.52789426       0.28169902
Li      10.58082994       4.05585691       6.32320220      -0.03173898      -0.01358718       0.02983839
Li       6.73473796       3.20884002       8.22072860       0.59653372      -0.63668198      -0.16644242
Li       8.73896701      11.37593443       2.46167548       0.40314360      -0.15407796      -1.32422475
Li       5.13358322      10.51224065       4.16291622      -0.03729371       0.15745792       0.00000988
Li       4.83486253       8.16449940       6.59049998       0.15604163       0.68981671      -0.48959007
Li      10.84302379       0.91765389      11.86886232      -0.21647823       0.42498068       0.15315610
Li       5.95466236       0.05106883      11.38258797      -0.08873557       0.35742196       0.22621152
Li       7.34659331       7.03310199       4.52155569      -0.30895780       0.73576197       0.13348277
Li      11.70444234       3.53781528       9.23650687      -0.47032195      -0.03214503       0.37036834
Li      11.10519305       0.67501481       6.92262367      -0.43062208      -0.18267229       0.61898992
Li       4.38308576       8.78645190      11.06106567       0.17779065       0.31738113      -0.29212168
Li       4.11156956      12.13295016       8.27768342       0.63029401      -0.41217294       0.25819951
Li       8.71509542       4.59778242       1.98064034       0.54658915      -0.32208029       0.52315078
Li      11.29022549       2.09991216       3.03274867       1.07063923       0.50168325       0.27037535
Li       7.07888968       9.25895182       8.23825411       0.83707734       0.14079492      -0.12555615
Li       7.24848737       0.86458420       5.69221023       0.01298913       0.11514744       0.47952112
Li      12.20997629       5.72779008       0.16192091       0.47694954      -0.74119847       0.18932272
Li      11.14756173       7.35314846       3.24668282       0.17796247      -0.09928172       0.33705060
Li       1.96783749       2.69795618       0.26150021      -0.50261294      -0.74905040       0.27077781
Li      10.40085223      10.93552156       9.51746839       0.04448284      -0.01079268      -0.64424767
Li       2.69923524       4.32877514       2.79314734      -0.00408924      -0.65725104      -0.16738548
Li      10.05936930       7.98432491      11.48301834      -0.75708599       0.56068279      -1.15746426
Li       3.07114490       1.02014304       4.85767643       0.01796508       0.44066021      -0.35893987
Li       2.74641266       3.24264888       7.36013407      -0.11142200       0.12690215      -0.53595651
Li      11.99578387      10.34438936       4.86168577       0.39937798      -0.76392036      -0.43260362
Li       3.13475326      12.01501888       1.18252146       0.43281027       0.96977461       0.39440211
Li      10.44935791       7.81909322       7.32675567       0.23931650      -0.11298392      -0.43191178
Li       3.68560755       7.93413432       2.46305292      -0.84952725       0.11039368       0.72019337
Li       1.48252244       6.60068322       5.45048125       0.60241742      -0.01747106      -0.57281781
Li      12.12011042      10.35593774       0.91316736      -0.10371618      -0.28926543       0.59552274
Li       6.40602098       1.42564141       2.16609093      -0.14415522      -0.57462170       0.17057558
Cl      11.86190131       3.20582687      11.93679979       0.17484755       0.82905550      -0.43741126
Cl      11.48268628       7.80570005       0.68761227       0.72653277      -0.42376543       0.57843206
Cl      10.94521286      10.26422708       6.76666512      -0.10554184       1.43779268       0.62152240
Cl      10.88943871       0.98578075       9.48881265      -0.35097400      -0.54287761       0.22619844
Cl      10.94876716       5.65220289       8.39004343       0.14502344      -0.77373897       0.08400865
Cl      10.80156521      10.71717222       2.79971480       0.96644608      -0.56650407       0.45877357
Cl       8.56462205       6.72872394       2.60146137      -0.01815505       0.24397896      -0.21998858
Cl       8.73428124       2.30615968       6.96009750      -0.35851098       0.06908057      -0.23322284
Cl      11.90016226       7.49744793       5.63620241      -1.72921620      -0.47199331      -0.24945095
Cl       1.26147970       1.67153962       2.20839811      -0.34119101      -0.59790723       0.01953105
Cl       4.96527688       7.91890866       4.29949217       0.96794254      -0.76003262      -0.36892482
Cl       9.66277635       1.52501410       1.96681671      -1.10433931      -0.62135462      -1.86149664
Cl       2.87911456       4.58919799       0.35414311       0.15108337       1.60768387      -0.34674452
Cl       2.22760852       3.54213208       4.80775641       0.33267375      -0.46871329       1.03474882
Cl      12.27178143       2.57931159       7.31949949       0.82913710       0.37826823      -0.90903169
Cl       3.87922441       1.47144140       6.85634651      -0.21558562       0.31377910      -0.09627420
Cl       1.66366852       6.09323068       3.25200811      -0.60269209       0.05280398      -1.48875979
Cl       3.72245416       9.99588393       1.53443483      -0.29993193      -1.06973075      -0.55546480
Cl       2.00013362       8.66881579       4.38124097       0.03551070       1.99459334       0.25913109
Cl       4.15377836       1.78044372       0.48165130       0.40905387      -0.12997866      -0.94653581
Cl      10.04108128       3.94619029       3.74723584       0.34478126       0.55952998       0.79282500
Cl       4.63226769       0.51999588       3.31465718      -1.19438649       0.16342716       0.87881924
Cl       5.01873890       4.22990669       8.92661905      -1.22239727       2.08649198      -0.25444759
Cl       7.57278916      12.23959132       3.80489167      -0.08601902       0.69898909       2.97537602
Cl       6.54220337      11.68439562       1.33532050       0.58259485      -0.71944638      -2.65326716
Cl       7.46464757       8.80108724       6.13188518       0.61431556      -0.55213449      -0.40748209
Cl       4.67377547      10.73927280       6.42434589      -0.05584014      -0.03475120      -0.10199185
Cl       9.38887423       8.36205181       9.10844155      -0.62622781       0.84842011       1.59898398
Cl       5.19566656       8.53346970       8.69985746      -0.81940138      -1.64411114       0.99575916
Cl       4.67625978      10.84891482      10.42274374      -0.64013509       0.64021908       0.27237701
Cl       5.75754040       1.53643950       9.34403353       0.83582289      -1.59858834       0.93240988
Cl      10.64569276      10.89307910      11.71107128      -0.14312486      -0.30019621       0.07801267
64
Lattice="12.3326 0.0 0.0 0.0 12.3326 0.0 0.0 0.0 12.3326" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.78382596 stress="-0.005442009074908604 0.0026079514179364566 0.0029498549589620877 0.0026079514179364566 -0.005862936275595915 0.0011683753873934946 0.0029498549589620877 0.0011683753873934946 -0.01023541807882059" free_energy=-218.78382596 pbc="T T T" config_type=density 
Li       7.56374390       7.89360396       4.44825783       0.17095479      -0.05477439       0.37812740
Li      11.25543372       2.47441286       3.20498376       0.21052966       0.63442348      -0.27076021
Li       8.55993433       4.46371057       2.48802805      -0.00110933      -0.21037209      -0.67359767
Li       4.90213450       9.02430605      11.55684246       0.76081858       0.70245755      -1.91307896
Li      10.82454501       1.16804028       6.77619640      -0.03624395      -0.37536256       0.39698357
Li       7.43796372       9.26953981       8.63307898       0.79639530      -0.16708921      -0.49840494
Li       4.13260493      11.35866991       7.83938985       0.68343467      -0.34819905       0.48706266
Li       4.57851475       8.53999252       6.10159085       0.43868356      -0.01373807      -0.18189656
Li      11.42578392       3.49886961       9.36521612      -0.16135238      -0.58921932       0.12785399
Li       6.09995061      10.72397265       2.61484418      -0.29091419      -0.62381226       0.47023646
Li      10.10014042       1.36783333      11.84246548       0.37008703       0.40897765      -0.02763173
Li       5.33894286       3.75630031      10.86647585      -0.11136856      -0.23242716      -0.41250618
Li       5.99879863       0.80135632      11.22351695       0.07928782       0.44248323      -0.37705914
Li       8.88957240      11.85239322       1.75275844       0.47263271      -0.09229352      -0.24314468
Li       6.72337587       3.47812618       7.99730879      -0.49496544       0.46386087       0.92569025
Li       6.03289827       1.97726109       2.40695354      -0.25433823      -1.06170549      -0.43339707
Li       6.88575922       0.57230540       5.98243327      -0.29649688      -0.49836125      -0.16112237
Li      12.20308303       9.86463709       1.07321122       0.08835601       0.23441268       0.86397873
Li       1.95249723       2.29393760       0.16474257       0.49068096       0.70651759       0.50554215
Li      11.08303630      11.12190866       9.62693855      -0.14688710      -0.40205010      -0.26997852
Li       2.45394075       4.40728893       3.47210787      -0.46981049       0.00848674       0.20563615
Li       0.33363383       5.34058310       0.83878699      -0.48333457       0.11252067      -0.73420373
Li      10.30838870       8.13006923      11.38855180      -0.18345234       0.42358887      -0.04851106
Li       0.10889686       9.94473732       5.04432938      -0.51817040      -0.34708012       0.18527587
Li       2.63885575       0.58838711       3.93083126       0.68262361       0.15915027       0.77000415
Li       2.33734835       2.51982150       7.32129732       0.38630851      -0.13052397      -0.33953337
Li      11.27565918       7.13207824       2.96554633      -0.36941969      -0.85199679       1.30276855
Li       9.65772072       4.65254735       5.95803938       0.08369573       0.16851233       0.26622119
Li       2.86134819       8.06777727       2.86021359       1.04712958      -0.13660956      -0.71318386
Li       3.80402747      11.54581712       0.94092558       0.86836387       0.20125403      -0.41581825
Li       0.89619771       5.90880764       6.39123429      -0.97946608       1.51259044      -0.04585316
Li      10.83637197       7.61480087       7.88505746      -0.61462171       0.47827197      -0.25937926
Cl      11.63498182      10.92357578       6.95984115       0.06372275       0.15507932       0.05622173
Cl      12.06942232       2.99488558       0.03403798      -0.50652017      -0.53294728      -0.77079339
Cl      10.91427700      10.60911915       2.93476416       0.76671943       0.07968635       0.46691366
Cl       9.53530734       3.51829346       4.07454305       0.42321706      -0.78158834       1.82861048
Cl      10.97337482       5.50835579       8.63217870       0.20478321      -0.12840323       0.11290574
Cl      11.34199624       7.24801701       5.68101219       0.05944344      -0.02214569       0.03949907
Cl       8.51035728       2.66443356       7.16181214       0.52167598      -0.43818619      -0.57546518
Cl       8.92216746       6.36433689       3.27144414      -0.16962006       1.52203236      -0.09042235
Cl      11.49387221       7.83525843       0.99083932       0.39339948      -1.00104541      -0.97241508
Cl      10.56691699       0.92730423       9.51837468      -0.04761313       0.83754077       0.21635197
Cl       2.83009738       2.33380889       2.67411466      -0.55141634      -1.08097939       0.85054306
Cl       5.56009105       9.28675611       9.35185991      -1.14016149      -0.97147488       0.09429227
Cl       2.20822603       4.57359404       1.24766448       2.71269515       1.39937672      -2.63742043
Cl       0.12630309       4.92806996       2.85071749      -2.26109384       0.37738546       2.41735796
Cl       1.86614437       4.31178528       5.78284247       2.75470137       0.73090693      -0.71732314
Cl       0.35426380       2.30386534       6.40354223      -2.31428282      -1.92805947       0.56709879
Cl       3.59751808       0.74901059       6.70167050      -0.76212898       0.81059734      -0.63423551
Cl       4.03606534       8.77801170       0.99392986      -1.16761728       0.30751728       1.34743373
Cl       2.18358549       7.86387006       4.77894416      -0.65278182       0.42900524       0.98070502
Cl       4.67253849      11.61199385      10.81365532      -2.34923862      -1.20975477      -0.78436339
Cl       8.93733656       2.37890921       1.54185865      -0.31562531      -0.95402567      -1.63262478
Cl       4.32463584       2.00093968      12.16938914      -0.33538583       1.40368267       0.33588187
Cl       7.62337202      12.08413634       3.38058765       1.16535708       0.41800049       2.11071407
Cl       6.53818955       5.24958084       9.66218512       0.00142199      -0.18189353       0.06686585
Cl       5.40767244       1.98372338       9.09523084       0.45485268       0.27980676      -0.06708571
Cl       6.08326460      12.06168978       0.84907238       2.34379759      -0.33299304      -0.81838835
Cl       5.42720728       8.17840069       4.02274613      -0.12306329      -0.36896130      -0.96535525
Cl       7.51612774       8.26321198       6.71406476       0.57560682      -0.68166082      -0.45491495
Cl       9.55519982       9.19009320       9.49957979       0.55137709      -0.42898747      -0.06867281
Cl       5.37433743      10.61348489       5.96886741       0.11273333       0.72859515       0.67781628
Cl       4.74924726       0.04967288       3.20398481      -2.11960094      -0.14704789       1.16885290
Cl      10.89961354      10.66740302      12.03226419      -0.50738558       1.18904811      -1.01490453
64
Lattice="12.3417 0.0 0.0 0.0 12.3417 0.0 0.0 0.0 12.3417" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.25166888 stress="-0.001485387571572284 -0.0016944648391164442 0.0005600703869664156 -0.0016944648391164442 -0.0026418363150790027 0.003008778206732899 0.0005600703869664156 0.003008778206732899 -0.005045909804852397" free_energy=-221.25166888 pbc="T T T" config_type=density 
Li      12.26899505       9.85423036       1.11388656      -0.39471937       0.05743531      -0.31128943
Li       5.29344152       3.80286036      10.97838645       0.15851705       0.42109833      -1.08438718
Li      10.91984977       6.96782762       3.05500271       0.22978890      -0.32115333       0.41072571
Li       6.26811494      10.62599389       2.54152628      -0.62379021       0.32744306       0.66660911
Li       9.15524584      12.03595907       1.79336009      -0.01071815       0.31067984       0.28267162
Li      10.07234523       1.67268294      11.88481027       0.73894235      -0.03042753      -0.42793810
Li       7.67357539       7.97993341       4.30372357      -0.96944451       0.64943419       0.66647202
Li       6.24390052       0.74281854      11.24810196      -0.87374922       0.20474192      -0.36519397
Li       4.69630071       8.63141473       6.28175252       0.68166527       0.16082089      -0.16425779
Li       7.57675476       9.25099275       8.53356973      -0.45894782       0.08517542      -0.41480502
Li      11.41361650       3.61411874       9.36195698      -0.10156665      -0.41170826      -0.21520987
Li       4.78506222       9.17958368      11.44300209      -0.23058296       0.76750882      -0.42928372
Li       8.40754863       4.43946993       2.48069404       0.68281061      -0.89800765       0.28639160
Li      11.47049940       2.58700545       2.98243351      -0.16926101       0.40351774       0.23227571
Li      10.50842686       1.23909434       6.73356981      -0.06676124      -0.05241312       0.08424813
Li       4.25108622      11.46010769       7.88061975       0.32454877       0.65380664      -0.14740700
Li       6.64774563       3.75233344       8.04749188       0.12185327      -0.76132860      -0.19976352
Li       9.45732129       4.73913875       5.97071699       0.38390956      -0.62204882      -0.31803546
Li       5.73643450       2.00292215       2.43393134      -0.19824422      -1.05360318      -0.28657955
Li       2.18069200       2.21321238       0.28841812       0.08414824       0.47773856       0.32128985
Li      11.00345244       7.73018677       7.86951222      -0.38167220       0.00532567      -0.21112321
Li      11.29340834      11.20095667       9.78038997      -0.19169528       0.83262321      -0.12819883
Li       2.30350425       4.34698123       3.61857410      -0.46724172      -0.23383240      -0.32506933
Li       0.08132366       9.62308267       5.15405436      -0.13073314       0.07042559      -0.04757328
Li       3.93958172      11.61457640       0.72334333      -0.11970173       0.12022876       0.15034142
Li       0.42273778       5.03948636       0.70770270      -0.64228461      -0.04664037       0.49251139
Li       3.30867401       8.24273757       2.91488739      -0.82421900      -0.68190417       1.06773178
Li       6.64549944       0.25573854       5.74477749       0.28014389       1.31137297      -0.63174464
Li       2.23398346       2.23641477       7.17345268      -0.20597360       0.25466849      -0.62266460
Li       2.78273247       0.48010324       4.00517785      -0.07209741      -0.37036136       1.41003206
Li       0.57849374       5.78796110       6.67377427       0.90749896      -0.57039115      -0.96346698
Li      10.18555564       8.05471177      11.54446321      -0.02893651      -0.01256399       0.13709629
Cl      11.18409791       6.81574085       5.76660996      -1.09316148       1.07356554      -0.77934899
Cl      12.15884537       2.52438366       6.21853833       0.50611218       0.27523064       0.21557985
Cl      11.87118503      11.52865349       6.61927333      -0.04586492      -0.99432664       0.21194699
Cl      11.47084496       5.55067957       8.28481043      -0.11204861      -0.28317698       1.92733531
Cl      11.14741837      10.32322731       2.87049429      -0.08800600      -0.10744380       0.94314751
Cl       8.65983766       6.26847285       3.72639119       0.34161629      -0.52446016      -0.71301358
Cl      11.65066353       7.54970175       0.73559617       0.19915269      -0.15467406      -0.07821109
Cl       8.67138950       2.63047291       7.28093655      -0.55663370       0.56211816       0.07069682
Cl      10.93090793       1.44917476       9.51789436      -0.06843717      -0.50609065       0.41557784
Cl       2.60260535       1.88502189       2.54868447      -1.31576537       0.90979487      -0.22735941
Cl       6.04942001      10.77260095       6.26286972      -0.83423128       0.26081344      -0.02512471
Cl       9.41131144       2.77111893       4.12731131       0.04253291       0.72318670       0.16667105
Cl       2.37435795       4.47473017       1.19085557       1.17425669       1.46491242      -0.19383415
Cl       2.41935579       4.27189433       5.84569557       0.39488693       0.45065581       0.40259610
Cl       3.68065285       0.77479218       6.23158351      -0.51145735      -0.23770557      -0.03643321
Cl       1.66684532       7.66512133       4.93408824       0.53044453       0.99981027      -0.39082440
Cl       7.42672905       0.26837767       3.41394871       1.08535894      -0.34257068       0.71277989
Cl       6.85303747       4.78180401       9.89979592       0.70103751       1.23534206       0.62239084
Cl       5.18888264       2.19924157       8.81892218      -0.05906569      -0.23045004       0.13935695
Cl       4.47951875       2.38117057      12.13791385       0.07050852      -0.83458724       1.06996115
Cl      12.24959389       2.78723719       0.19928020      -0.65684242      -0.28899908      -0.38617604
Cl       6.05971299      11.95947755       0.81144579       2.59626312      -0.19037857      -1.84798202
Cl       4.23449898       9.27737931       1.39930195      -0.09317946       0.46079661      -2.00742975
Cl       4.54589241      12.21439536       3.03108449      -0.57841145      -1.12284026       0.97478882
Cl       7.26413949       8.30343405       6.48271242       1.16159242      -1.66909583       0.59957630
Cl       9.79602691       9.44816375       9.93848715      -0.44372381      -0.79942213      -1.35793431
Cl       5.05350653       9.61113590       8.83882934       0.29376618      -1.85908223       0.42484071
Cl       4.20739661      11.60295052      10.76498612      -0.93732441       0.15785724       0.30122430
Cl       8.78129233       2.34302238       1.19225388      -0.45037406       0.03958967      -0.87790709
Cl      11.95675004       4.85399061       3.11061441       0.13719325       0.27292695      -0.38823796
Cl       5.17192514       8.05367507       3.94434561       0.91213768      -0.26253860       0.75092083
Cl      10.69057801      11.32257178      12.12394305       0.26618104       0.47358064       0.44602021
64
Lattice="12.7017 0.0 0.0 0.0 12.7017 0.0 0.0 0.0 12.7017" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.63953625 stress="-0.012196030990792498 0.0021804996744089304 1.985634391801007e-05 0.0021804996744089304 -0.006908630868969426 -0.0002823760153072882 1.985634391801007e-05 -0.0002823760153072882 -0.01642790255974256" free_energy=-217.63953625 pbc="T T T" config_type=density 
Li       5.33125914       0.96800037      11.46926675      -0.13718679      -0.72673829      -0.08962653
Li       8.64625042       4.83020248       2.76007941       0.91498084      -0.03391055       0.43196253
Li      10.54935883       3.09831298       9.68297587       1.06009417      -0.24127999       0.42058345
Li       7.92319344      11.82521919       2.59216294      -0.63387454       0.65954750       0.03432751
Li       5.99129028       8.33021942       3.30522367       0.43155928      -0.17925880      -0.34374412
Li      12.20572402       2.12021857       6.28035557       0.50340077       0.48239750       0.19663139
Li       4.89585756      10.25133884       0.53827391       0.09913118       0.26517319      -0.48289415
Li       4.57433943      12.28056243       3.28404994       0.19549589       0.19344480      -0.26331424
Li       6.92193113       9.94715853       6.16013397      -0.24313567       0.68837782       0.74315659
Li       8.76775488      10.07611889       8.96444070      -0.10696950       0.51307545      -0.66319832
Li       9.06746419       1.04971929       7.16002450      -0.60814736      -0.42003816       0.47421202
Li       9.60068156       5.53024397       5.89413497       0.34349643      -0.01359428      -0.44830010
Li       5.10769652       8.24591824      10.96288808       0.60658360       0.63945569      -0.00719153
Li       5.29569438      11.35996862       9.12988035       0.77057338       0.61875785      -0.83742820
Li      10.08713127       1.11472787       0.46726760      -0.32416161       0.19922215       0.24395370
Li      11.62492608       2.73363447       3.02075640       0.76711044      -0.11102736       0.21470451
Li       6.89478760       3.70969661       8.34910685      -1.03687205      -0.34379235      -0.35551506
Li       7.66128439       2.16064808       4.58024572       0.57293050       0.21925965      -0.00944880
Li      12.68541642       5.61683146       0.91969072      -0.07565395      -0.24428183       0.33422286
Li       4.27211518       1.69623582       6.91295103       0.18995148       0.52182073       0.41609437
Li       2.11907542       1.64582278       0.85785377      -0.38252910       0.38542966       0.57544357
Li       2.01690294       2.67420322       4.16916790       1.18052510       1.41322337      -0.17987226
Li       1.02002653       6.15759363       6.81992378      -0.07159082      -0.10973013      -0.26375382
Li      11.82345366      12.55406814       9.98951870      -0.21789495       0.03666086       0.07085916
Li      12.62108231       8.89296824      10.17058143      -0.00863714      -0.49520500       0.09533004
Li      12.02360704       9.23253549       0.65223102       0.13626628      -1.38490970       0.73362301
Li      11.06235509       8.87452537       7.51833946      -0.19818953       0.26754470      -0.24510208
Li       3.80327003       3.52334997      10.33047043       0.11849282      -0.29912956      -0.66898354
Li       5.68196578       2.20982906       1.57478217      -0.46648107      -0.57814425       0.16905762
Li       9.55701311       8.23825911       4.07226663       0.19789396       0.23615165       0.43688167
Li      12.21892108       6.44598573       4.17861797       0.53370231       0.00643045       0.21790447
Li       0.82488777       9.92380010       4.42383699      -0.26265005      -0.68116611      -0.09392088
Cl      10.01482049       3.46648446       4.23033929      -2.86254750      -1.36946253       3.03896368
Cl       8.87390299       9.48023134       6.59502748       1.61262577      -1.68293837       1.02657624
Cl      10.96725746       7.42138738       5.75152029      -1.12191177      -0.92893724       0.02844664
Cl      11.10883061       1.80395894      11.44707688       0.34377720      -0.16658578       0.20491486
Cl      10.87880282      11.03223936       8.65666581       0.23272067      -1.09407682       0.13241407
Cl      11.95205837       8.32651052       2.64857119      -0.37575541       0.95880317       0.07033747
Cl       8.87806914       2.95790839       8.57570518      -1.28041795       1.29958793      -0.04401285
Cl      12.06506539      10.34688103      11.70490869      -0.04029493       1.91717572      -0.71463834
Cl      11.15867208       1.29836777       8.22492233       1.31483901       0.16940834      -0.77963755
Cl       3.27449826       1.21840676       2.73014150      -1.87452547       0.53706064       0.16530142
Cl       7.50995634      11.79286796       7.71738780      -0.21229618       1.05504762      -0.02127083
Cl       8.62938256       1.76495202       2.11052717       0.32686052      -0.72519858      -1.06101181
Cl       0.66200244       3.45209343       1.82129676       2.03419634      -1.49158119      -1.56607844
Cl       2.24898841       2.71003471       6.58861312       1.37034611      -0.56692632       0.91367841
Cl       0.34832126       4.51791848       5.35052762      -0.44709634       0.66462154       0.45944777
Cl       0.64508124       1.35818008       4.57472048      -2.91112553      -2.77938646      -0.61530532
Cl       3.65596842       2.27426479      12.16224610      -0.26149260       1.39657116      -0.26537984
Cl       1.09113954       7.86347005       5.25680177       1.71895946       0.83585274      -0.45733323
Cl       0.18637712       7.73651656       8.28843083       0.10772906       0.04375107       0.83725881
Cl       5.18275086       0.14363336       0.81761097       1.65608694      -0.65693500       0.12649186
Cl      11.44320286       4.99049793       2.78336163      -1.16245822       3.02147795      -2.09290515
Cl       5.93400561       1.33507569       3.62439199       0.83007077       0.07690667       0.53474273
Cl       4.94550851       1.15461501       9.35914603      -0.10064741       0.03858097      -0.89195395
Cl       4.63880056       4.35849944       8.38662767       0.45536537       0.53327077       0.45138817
Cl       5.47386112       7.97946197       0.57564867       0.06175260      -0.46502204      -0.53037680
Cl       7.80096498      10.33095310       4.17468044       0.18596988       0.00080867      -1.64650228
Cl       5.06329137      10.20267863       2.69898423      -0.89142247       0.11636028       0.97610281
Cl       8.01710981       6.46830262       4.31061403      -0.62336530      -0.04680763      -0.50005975
Cl       6.65453495       9.53315932       9.29915590      -0.59812119      -2.18032012       0.44179682
Cl       4.91299216      11.14116914      11.13006785      -1.12235348      -0.88751832       1.00461222
Cl       6.83060591       1.79828128       6.55090178      -0.26680328       0.87713320       0.03100016
Cl      12.55226450       7.10992900      11.99859740       0.05312104       0.01551129      -0.11366288
64
Lattice="12.402 0.0 0.0 0.0 12.402 0.0 0.0 0.0 12.402" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.64746271 stress="-0.0011214298515371272 0.002124430356685929 0.0032719317782720202 0.002124430356685929 -0.006667255196038373 0.0013809732218506732 0.0032719317782720202 0.0013809732218506732 -0.003859275294450733" free_energy=-220.64746271 pbc="T T T" config_type=density 
Li       5.77951803       9.10120770       6.05645469       0.10795223      -0.06066248       0.25421979
Li      11.74772009       3.15704072       2.75158213      -0.21593615      -0.08841225       0.05422017
Li       8.43483584       3.76098091       2.62463526       0.67003401       0.02347086       0.65863501
Li       5.10141388      12.23007107       8.49558083      -0.46452968      -0.02176089      -0.01492476
Li       4.44191272       8.52255518      10.87437125       0.28967253       0.20293854      -1.10527570
Li      10.52659436       1.55751757       6.89334165       0.12622971       0.21982153      -0.03424587
Li       7.28074292       9.93105032       8.65131275       0.07448495      -0.15047458      -0.37453821
Li      10.64009747       3.85980005       9.54945319      -0.30926489       0.06724569      -0.03251537
Li      10.92711695       1.79311837      12.11531537       0.31312999       0.23596619      -0.27396469
Li       6.40571981       9.70884369       1.87629858      -0.50632608       0.64407142      -0.40948483
Li       6.22145090       4.09014239       8.49852011      -0.23243481      -0.50456989       0.40333412
Li      11.33634575      10.53854989       1.62001125       0.12448060      -0.35175256      -0.53524536
Li      11.24111079       6.27723509       3.23452841      -0.29759839       0.42278844       0.73919799
Li       9.12307243       4.67015913       6.09136632       0.04956722      -0.44913996      -0.09266572
Li       6.69989525       0.50140046      11.56140484      -0.43521222       0.00521185      -0.21761391
Li       6.38464882       0.64252654       5.25759226      -0.68554761      -0.02245426       0.24953122
Li       4.65582242       3.74955867      11.52015579      -0.17904599      -1.43706687       0.68816996
Li       1.15428639       5.30468266       6.69916354      -0.18670345      -0.45773087      -0.57870749
Li       2.14521115       2.30915318      12.38790624       0.61075660       0.10065078       0.16887926
Li       3.34091277       3.58982091       3.14967393      -0.77226049      -0.51577511      -0.12980238
Li       0.37463342       6.36290811       0.08324979      -0.36718412      -0.12652477       0.15668172
Li      10.94413250      11.63968627       9.96979417       0.19506805       0.27690461      -0.30440569
Li       9.80570331       7.89873458      10.82199760       0.94116181       0.09988093       0.07998341
Li       1.49669816       2.22592336       7.11670167      -0.19100796      -0.88509700      -0.67113220
Li       8.73831278       8.20103333       4.68502913      -0.16669980      -0.36824208      -0.30770765
Li       8.54332853       0.10788897       2.76035035       0.03590798       0.79177993      -0.37219668
Li       3.52020848       7.70033979       3.29100712       0.36096224       0.16322742      -0.35755015
Li       3.88376071      11.93716064       0.76055389       0.19108276      -0.60613015      -0.03130152
Li      10.30338317       7.77008864       7.29419909      -0.31745586       0.32140068       0.97851086
Li       0.36011935       8.60708722       5.04464992      -0.23190548       0.02932819      -0.02500951
Li       3.24569021      11.89421251       4.19043737      -0.58542375       0.36780367       0.51149514
Li       5.66437786       2.02822308       2.08910450      -0.81971725      -1.11322226      -0.57494120
Cl      10.55026978       1.47758668       9.80226796      -0.40079948       0.64377661       0.06716759
Cl      10.99512952       6.92848892       5.39382823       0.68282629       0.25092659       0.78915698
Cl      12.34987439       0.26587036       6.97508323      -0.15661918      -0.22221813       0.07620818
Cl       9.90029336       2.92854627       4.84382434       0.67768588      -0.43003956      -0.10394360
Cl      11.61330721       3.42799961       7.69074064       1.60647618       1.27248460      -0.86691631
Cl       8.15918899       3.20512327       7.89183907       0.06405864       0.57404353      -0.29997327
Cl      10.34917135       9.62030581       9.31965653      -0.72530916      -0.16533419      -0.26150610
Cl      11.52626998       9.94387399       3.84145749      -0.37970145       0.39329877      -0.37625167
Cl      11.39332054       8.16676661       0.50591231       0.19317921       2.12478126      -0.78378967
Cl       2.64210968       1.21183539       2.96386717      -1.03646622       1.48070826      -0.61829210
Cl      11.02183103       5.59941619       1.34089184      -0.20386214      -2.06669095      -0.07705382
Cl       3.27933684       4.60415569       0.58311972      -0.25854346       0.58579138       1.05546204
Cl       0.36702479       3.01211095       0.69883410      -0.37099630       0.01130312      -0.41861204
Cl       2.56684194       3.82889426       5.29002349      -0.38802973       0.53233923       0.69088309
Cl       3.16747080       0.57623661       6.03021206       0.33178038       0.19672947       1.25103937
Cl       1.78351922       6.97830775       4.47355022       0.35135311       0.29022710      -0.09431224
Cl       6.95820411       2.08879445       3.76384577       0.25913335       0.54419679      -0.05502923
Cl       4.18712603       1.57442150       0.22085730       0.95506589       0.77810084      -0.12741765
Cl       4.98039516       5.08850339      10.12821732       0.49557027       1.83550370      -1.52697337
Cl       5.25099440       1.80339962       9.62335670       0.50918001       0.34692741      -0.49043731
Cl       6.84365924      12.07617466       1.33594344       2.79305794       0.45632939      -1.21211853
Cl       4.73442629      11.62207543       2.77358328      -0.53610486      -1.74535737       1.01364491
Cl       6.48157045       8.90283771       3.85769171      -0.00465806      -0.66053526       0.13279011
Cl       4.84453125       8.80136455       0.49115145      -0.24045201      -0.65954943       1.21166912
Cl       7.93672191       8.64296620       6.73858949       1.03557296      -0.49910631       0.52644196
Cl       5.91988387      11.26818436       6.39414875       0.62212429       0.75325223       0.31424104
Cl      11.03727152       6.42649316       9.41764473      -0.27153053      -0.41526987       0.04295110
Cl       5.17162160       9.13611933       8.47195502      -0.48171055      -0.66434475       0.65083136
Cl       5.16245652      11.34445666      11.03453068      -0.01378952      -0.53104603      -0.66477856
Cl       9.97092275       2.29193921       1.62008566      -1.58623166      -0.37538495       0.46714778
Cl       8.66169322       5.76732686       3.95532025      -0.81758394       0.15310711      -0.37506289
Cl      10.72330249      12.04989482      12.11928401       0.16908712      -1.60242533       1.56320396
64
Lattice="12.4397 0.0 0.0 0.0 12.4397 0.0 0.0 0.0 12.4397" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.78132454 stress="-0.010211261341356356 0.0036341574171096535 0.0014749589647738294 0.0036341574171096535 -0.006472993180253502 -0.003445592607164325 0.0014749589647738294 -0.003445592607164325 -0.011886722763742879" free_energy=-218.78132454 pbc="T T T" config_type=density 
Li       6.43454678       1.59403560       6.10739511       0.28771526      -0.13090025       0.10638672
Li       9.52026413       4.39026868       6.12264618       0.47969887      -0.13739616      -0.15353605
Li       6.36087888       4.31291863       8.16033124      -0.08128706      -0.22154504       0.83820433
Li       6.09928443       0.42316376      11.10689810       0.24127038       0.91529013      -0.15877594
Li       4.97332986       3.75329384      11.41575097       0.18263283       0.79827688      -1.06781287
Li      11.43635112      10.38945084       1.24143479       0.27412639      -0.70895391       0.04090262
Li       6.11780714      10.31596954       2.01260662      -0.11547772      -0.95550180       0.30171114
Li      11.36555678       6.59342663       3.48938561      -0.49354884       0.10294321      -0.29792182
Li      10.30754786       1.13083217      12.21939291       0.30005520       0.72264121      -0.06693836
Li       5.63489799       9.63580406       5.84709439       0.36620635       0.42508878       0.76772069
Li       7.46817390       9.60273934       8.82245915      -0.27138966       0.62656145       0.46921621
Li      10.45925000       1.37614181       7.31173223       0.38881600       0.59440903       0.16611497
Li       5.14828180       8.81928703      11.01567778      -0.41174974      -0.21632280       0.01448283
Li       8.56739555       4.17828376       2.48598697       0.25327579       0.48725267       0.52511166
Li      11.80807423       2.96516421       2.55175566      -0.39840329       0.11440654      -0.53626568
Li      11.21326998       3.98929983       9.28255390      -0.31447825      -0.13230138       0.58140199
Li       5.56562130       1.48542458       2.32266615       0.73744587       0.01709146      -0.10077835
Li       9.06728489       0.75176839       3.18476224      -0.10264475       0.83332289      -0.34137198
Li       2.12636768       2.25035417       0.28191097       0.25170599      -0.32608049       0.19504228
Li      10.12182314       8.19273666      11.53711269      -0.71913705      -0.18173138      -0.68291981
Li       3.39277890      12.29980313       4.41825801      -0.25991181       0.64921530      -0.50455605
Li       0.51753257       8.94048703       4.94902269      -0.93465621       0.18220936      -0.16710330
Li      10.86936203       8.17968742       8.03404341      -0.03647382      -1.09718033      -0.62093470
Li       3.82890234      11.80307347       0.73889952       0.59153839       0.01063587       0.30320972
Li       3.93718993       7.61757469       3.09277065       0.65661153       0.44326562      -0.18255823
Li      11.05863207      11.65530228       9.45563988       0.44621889      -0.08524576       0.30858720
Li       0.44889901       5.96238553       0.10860356       0.30533628       0.48993881      -0.30393089
Li       8.51737551       8.36874598       4.46131181       0.09930084      -0.29332373       0.43828953
Li       1.79251101       1.38482472       6.90035135      -1.44792481      -1.26594168       2.37871972
Li       4.10862144      11.94456262       8.20954270       0.62446268      -0.14228665       0.13146439
Li       0.34835514       5.26684458       5.96942640      -0.51039190      -0.82990368       0.80621731
Li       2.51915121       3.40025516       3.41733487      -0.15574715      -0.04341462       0.05797321
Cl       8.90316793       6.46532260       3.39142297      -0.15956031      -0.76388492      -0.35610672
Cl      10.42041326       9.46715905       9.62178452      -1.10284013       0.65408657      -0.25054817
Cl       8.32650076       2.81588781       7.38146919      -0.40127185       0.25200065      -0.35426203
Cl      10.89233816       1.43221998       9.56525852      -0.96367159       1.03196074       1.03645805
Cl      10.00117049       3.06170872       4.17284761       2.59597192       0.61536121       1.72905777
Cl      11.20670182       6.19733414       9.22755799      -0.15691065       0.18589516       0.70141896
Cl      11.02407458       9.07858014       3.19737609       0.38527204       0.84998847       0.03467015
Cl      11.04946401       7.09233324       5.86852799      -2.06044686       0.29091106       1.28004145
Cl      11.74802780       3.71399683       7.29516255       0.04405331      -0.44552561      -1.20704510
Cl       3.39542855       1.58565124       2.54039821      -0.45705872      -0.72998394       0.70616011
Cl       6.02376301      11.84531869       6.56775109       1.98370414      -0.30178217      -0.38446776
Cl       9.45501790       2.45565898       1.47978939       0.55001229      -1.16523059      -2.43961100
Cl       0.21791866       1.29907787       0.82743784       0.09041274       0.11326461       0.40721513
Cl       2.06812500       4.17137972       1.22622352       0.41864297       1.23481122       0.03123417
Cl       1.84106316       2.59099047       5.47185084      -0.74547468       3.46992955      -3.12419057
Cl       3.54710582       0.54931600       6.37176362       0.14713542      -0.43102647       0.64682512
Cl       1.03646834       6.88998908       4.87489452       3.50524641       0.06063370      -1.93855044
Cl       0.22503293      12.32209508       7.80020193       0.20334063      -0.65197479      -0.85821171
Cl       7.52440134       2.33071463       3.56616344      -3.71428264      -0.81400770       0.80644883
Cl       4.94761700       1.90887197      12.43320312      -0.70639999       0.70333676      -0.36118457
Cl      11.49460623       5.17704239       1.43595189      -0.70064742      -0.17139380       0.88835806
Cl       5.30357902       5.82967881       9.96227155       0.21532816      -0.30089971       0.13006850
Cl       4.84159344       8.58030795       1.14287007      -0.19342221      -0.77234594      -0.54924516
Cl       4.35219076      10.94411219       3.16927481      -0.71065380      -0.50416694       0.29543898
Cl       6.39376945      12.15216877       1.05290740       2.31957334       0.61732167       1.58720806
Cl       7.55444321       8.61518887       7.06833706       0.75509445      -0.68541811      -0.84632994
Cl      10.88095583      11.53387837      11.95147909      -0.59218919      -0.58420292       0.05382226
Cl       6.22040979       8.30026543       4.27016338      -0.70308004      -0.30006812      -0.88831572
Cl       5.12289237      11.04349295      11.37654104      -1.58103603      -0.36491803       0.33769940
Cl       5.06233592       9.99843375       8.89910015      -0.07085189      -1.44685682      -1.42234205
Cl       5.54009503       2.27069308       9.19287610      -0.16065824      -0.10623964      -0.07863848
Cl      12.03329500       8.26982548      12.08913681       1.73347289      -0.18409472       1.14157189
64
Lattice="12.4838 0.0 0.0 0.0 12.4838 0.0 0.0 0.0 12.4838" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.5864809 stress="-0.007776050291995374 0.002235583813606975 0.0011044129573657552 0.002235583813606975 -0.0023455288769121956 -0.00390745490149147 0.0011044129573657552 -0.00390745490149147 -0.010502110467445414" free_energy=-218.5864809 pbc="T T T" config_type=density 
Li       6.21348687       1.64457836       6.63201875       0.12053038      -0.20198050       0.47222377
Li       8.92632897       4.44053760       5.51940008       0.74207404      -0.71353589      -0.12872405
Li       7.25759445       4.69038837       8.70306869       0.40336367      -1.09681439      -0.45259247
Li       5.61188007       0.37610693      10.88267775      -0.10718138       0.28194726       0.10001362
Li       4.92912856       4.00881034      10.92890526       0.90121716       1.12754476      -1.33436315
Li      12.02700527       9.93062571       1.26163780       0.07335699       0.37225886       0.09187027
Li       6.85233285      10.16785536       1.88936071      -0.55534519       0.49154689       0.00856061
Li      11.50742952       6.66900825       3.06941687       0.10951725       0.57932082       0.33554093
Li      10.33282878       0.79902187      12.36877427       0.20719045       0.13468809       0.30818912
Li       6.34730072       9.42800295       6.44065458       0.09817869       0.69454064       0.34371507
Li       8.51556201      10.04653779       8.67954921      -0.94107034       0.38364131       0.46609177
Li      10.08629869       1.47860624       7.10938678       0.39952846       0.39812045       0.23298372
Li       5.22943885       8.80742077      10.99724158       0.15558822       0.13496508       0.16653916
Li       8.05887964       4.47592917       2.26717043       0.10189437      -1.61081454      -0.83785253
Li      11.31019796       2.71647488       2.15399230       0.18098135      -0.01320274      -0.00476901
Li      11.81701527       4.11059076      10.01108380      -0.46722045      -0.64336180      -0.82024261
Li       5.90410086       1.76974094       2.02299979      -0.63703029      -0.76686660      -0.66686786
Li       8.69544108       0.70387909       3.92573065       0.10147431       0.70789466      -0.49496056
Li       1.90150745       1.78678133       0.00916348       0.66966306       0.88563696       0.27373835
Li      10.51782621       8.29655871      11.33108336       0.52674865       0.17323047       0.46992766
Li       3.82584777       0.24817794       4.44318416      -0.53931679       0.81674591       0.64407586
Li       0.28787892       9.22115887       4.87293898       0.74980404      -0.72506750       0.76634847
Li      10.71875297       7.74864472       7.29165026      -0.18256412      -0.08725126       0.95062677
Li       3.08465959      11.68371326       1.15283524       0.35120404       0.49882775       0.10908692
Li       4.12396091       8.34547024       3.00314038       0.32031208       0.33571031      -0.06255557
Li      11.79858919      11.49065129       9.84879440      -0.10145021       0.56085908      -0.50160812
Li       0.67007046       5.78835106       0.40519668      -0.08093172       0.61244199       0.07013208
Li       8.74950842       8.21714925       4.61457425      -0.10671865      -0.12245569       0.15734995
Li       1.27923995       1.76007848       7.23086664      -0.26613020       0.29395044      -0.54968091
Li       3.91539406      11.70799425       8.58810537       0.43595799       0.42798184      -0.80616870
Li       0.37320570       5.26913734       6.46746978      -0.42000078      -0.47086264      -0.07185347
Li       1.30146112       3.68173478       3.04256422       0.35546105      -0.12457666       0.66816356
Cl       8.84012833       5.79884994       3.51472650      -0.58257578       1.16035035       0.61909128
Cl      10.29776178       9.01746071       9.33081657       0.78876409       0.30820751       0.25700132
Cl       8.27533625       2.77021764       7.76667133      -0.49840874       0.61817638      -0.82147621
Cl      10.99750374       1.85562948      10.58547592      -0.08178534       0.57273348      -0.26798479
Cl       9.89485962       2.67213242       4.06151694       0.60579754       0.37255243       3.37113958
Cl      11.96190226       6.17013063       8.67536713       0.34440165       0.09448849       0.16560239
Cl      11.58308135       9.25685005       3.27669789      -1.15063418       1.38604414      -0.79363714
Cl      10.73907660       7.20094297       5.23262222       0.54218198      -0.40345214       0.80174970
Cl      11.39209169       3.20781228       7.39461664      -0.13883982       1.63240012       0.56269186
Cl       2.83219971       1.75871774       2.44573871       0.55830407      -0.47472860       0.64866138
Cl       6.04295816      11.87432840       7.16682474       0.40013917      -0.36524129      -0.70224079
Cl       9.29456361       2.07167413       1.62889871      -1.54341215      -0.70213700      -2.98536975
Cl       0.07687561       1.15336080       0.84684856      -0.76693999      -1.08209135       0.60335806
Cl       1.54625595       3.93754033       0.88503650       2.69438095      -0.26574721      -2.55537354
Cl       1.04327866       3.33505965       5.40891845       1.00718227       0.24710006      -0.78185985
Cl       2.83246187       0.18126478       6.64965836       0.10276949      -0.23153748      -0.09215974
Cl       1.23089020       6.77273614       3.93521834       1.00701512       0.68455778       0.48437134
Cl      12.07313541       0.44891745       7.85368342      -0.24737466      -2.19072764       0.35626434
Cl       6.67730998       1.66744868       4.02003328      -0.33457198       0.25658921       0.93741062
Cl       4.18129900       2.48894514      11.91548374      -0.28401598      -1.64111716       0.97926312
Cl      11.93839526       4.93232441       1.96142969      -3.04818387      -0.00827525       1.15648150
Cl       6.40734780       5.86349105      10.14826828      -0.66853742       0.20852350       0.86331724
Cl       5.22569371       8.89792832       1.04277181      -0.41571937      -0.88261488      -0.88399170
Cl       4.45041228      11.59441664       2.84821642      -0.65090946      -1.10806235      -0.18595820
Cl       6.55811465      12.21231480       0.82392081       0.71542919       0.37720834      -0.83827883
Cl       8.59901621       8.85661943       6.95009349      -0.55723138      -0.41129914      -1.94990460
Cl      11.30914932      10.79808752      11.90280395      -0.48793068       0.40948537      -0.07854954
Cl       6.18521106       9.46733941       4.01989595       0.89430061      -1.05638865       0.98713564
Cl       4.22253300      10.89808276      10.62059285      -1.16672315       0.81867970       1.04428217
Cl       6.24884099       9.45867565       9.11557089       0.77276086      -0.88699016      -0.22489935
Cl       5.43357395       1.99353802       8.89650517      -0.50043439       0.28081318       0.46447412
Cl      12.05913858       7.88743961       0.60034594       0.09171522      -1.05256309      -1.04355029
64
Lattice="12.4945 0.0 0.0 0.0 12.4945 0.0 0.0 0.0 12.4945" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.93673856 stress="-0.007193336677354168 0.003512793980971814 -0.002036775688544612 0.003512793980971814 -0.0019270707048879192 -0.0008714023172444486 -0.002036775688544612 -0.0008714023172444486 -0.0069587007607395" free_energy=-220.93673856 pbc="T T T" config_type=density 
Li       8.40857360      10.16766176       8.73615440      -0.19192759      -0.12021845      -0.49431626
Li      10.33981098       0.67184426       0.01411079       0.35697881       0.00426892      -0.66889810
Li       5.53036557       0.37870330      10.85113590      -0.14629348       0.10843615       0.20404221
Li       4.73202949       4.03636072      10.80695535       0.44062843      -0.68487385      -0.12057690
Li      11.48015901       6.62500871       3.18733446      -0.33221438      -0.07222476      -0.14896434
Li       7.51749085       4.67939016       8.83719742      -0.09760583      -0.44349673      -0.01826243
Li      11.97786492      10.00695750       1.26029523       0.21668425       0.07439671      -0.41551420
Li       6.21311503       1.68390875       6.75682569      -0.08837846       0.12768037       0.25336457
Li       6.81547487      10.36240104       1.95245304      -0.97216141      -0.34252851       0.12000298
Li       6.37556852       9.47775295       6.39633437       0.01690497       0.49815088       0.23779052
Li      10.21805208       1.49976481       7.20775219       0.13063402       0.77835594       0.28414580
Li       5.40046025       8.89344766      10.77791813      -0.19356606       0.18468798       0.51257668
Li       8.46406167       0.74781082       3.70292000       0.24418181      -0.41145894      -0.60438617
Li      11.24075189       2.66074126       2.32292746      -0.31447559      -0.59687344      -0.28072825
Li       8.89777076       4.29487192       5.45784749       0.19720118       0.39671654       0.56534584
Li      11.96357121       4.02695236       9.88721021      -0.42101855      -0.13761572      -0.60610278
Li       7.92324974       4.25184087       2.23193002       0.98475923      -0.01593063       0.55763324
Li      10.65702135       7.88466672       7.41338667      -0.25682868      -0.13300125       0.57623741
Li       5.80591927       1.68970620       1.97812924      -0.77844299      -0.69140396      -0.56895591
Li       3.74787521      11.86825067       8.38478407       0.61316951      -0.00270872       0.54177637
Li       1.84696198       2.01756188       0.18842081       0.36091531      -0.74559366       0.28355775
Li       0.30645135       9.19414030       4.87560379      -0.43733175      -0.98412765      -0.43784169
Li       1.39198726       3.68653971       3.26313859       0.44336488       0.11926850      -0.26219828
Li       3.34332829      11.69116612       1.18605915       0.57036599       0.40460532      -0.30011236
Li       4.12107343       8.60288806       3.12606143       0.52267010       0.34768803      -0.66017866
Li       3.80993539       0.31413172       4.64403073       0.37214669       0.11412228      -1.07321825
Li      10.82623436       8.18339772      11.26742765       0.20597623      -0.29378305      -0.05928868
Li       8.91704977       8.30217044       4.52830667       0.73666705      -0.53383102      -0.24124084
Li       0.44064353       5.82844685       0.48853745       0.12920599      -0.62191953       0.44432477
Li      12.08930337      11.51571835       9.65998524      -0.38027438      -0.32431280       0.96921983
Li       1.24836048       1.75046696       7.03885154      -0.38352224       0.04509790      -0.15863696
Li       0.44381838       5.08227531       6.44336367      -0.46603303       0.31992712       0.18170246
Cl      11.30990895       3.68705198       7.34371734      -0.12243330      -0.97638549      -0.16456997
Cl      10.16517535       9.18560655       9.40421033      -0.13861677      -0.62001345      -1.23854535
Cl      11.42021040       8.98905557       3.06457599      -0.91896627       1.76578564       0.09255380
Cl      12.26392650       6.23667965       8.61586985       0.32071587       0.38856165       0.63073765
Cl      12.32786085       7.76303276       0.39272088       0.08801592      -0.16393396      -0.32780902
Cl      11.21456342       7.29170274       5.38824063       0.26993465      -0.23965479       1.32306101
Cl       8.44671931       8.74261406       6.58363942       0.97115562       0.06765799       1.49378621
Cl      11.91939066       0.02211527       7.80571397       0.12513720       0.15348856      -0.93801182
Cl      11.18896219       1.92489018      10.69945267       0.09491137       0.36566350      -0.55138512
Cl       9.12345891       2.66411477       4.15809463       1.94503180       0.54507681       0.44921395
Cl       3.02786715       1.51853155       2.48249472      -0.36258441       0.00149737       0.66760674
Cl      12.34099257       0.71314483       0.94426559       0.67448192      -0.41228644       0.84082939
Cl       1.35546583       3.92324801       0.90558637       1.52054399       0.16897918      -0.66101692
Cl       1.66822816       3.42428015       5.51227353       0.08426925       0.18778491      -0.21222738
Cl       3.11555355       0.57092618       6.64146397      -1.59319489       0.22728227       0.21952661
Cl       1.12279825       6.89496488       3.51427804       1.96609272      -0.11106528       0.27173003
Cl       4.11064052      10.99868345      11.02812049      -0.83001224       0.10744233      -0.59876434
Cl       6.53754721       1.46371818       4.06027519      -1.82895228      -0.07727631       0.51291027
Cl       8.14800080       2.89347631       7.38741061      -0.20831841       0.27036866       0.03312415
Cl       6.33366196       5.76742372      10.35258036      -0.23921293      -0.12612002       0.09209922
Cl       8.64987988       6.02266136       3.97075210      -0.51408186      -0.55386885      -0.54289036
Cl       5.27369105       2.08681890       9.17294963      -0.09971833       0.65315852      -0.04157451
Cl       5.07344170       8.60162612       0.91430003       0.13413082      -0.18985513       0.07673530
Cl       4.56827657      11.30837213       3.01151185      -0.84194930      -1.44820217       1.44969182
Cl       6.10824869      12.16194639       0.72454731       1.72220890      -0.03973383      -0.33569588
Cl      11.50965852      10.20253391      11.59724497       0.48011122       2.51949228       0.55232849
Cl       5.72614189      12.10222268       7.30613389       1.27495005      -0.70742021      -0.81091179
Cl       6.31924331       9.70948844       8.89687115      -0.33733275      -0.96823709       0.51232197
Cl       9.28712437       2.02477121       1.28792057      -1.22531957       0.05187483      -0.24380687
Cl      11.37990314       4.74984665       1.86906475      -1.48390293       0.72556108       0.62070120
Cl       4.45933703       1.92548991      12.24317313      -0.49217614       1.36093208      -0.26020117
Cl       6.91944161       8.98663164       4.18265882      -1.51729892       0.70594533      -1.52384666
64
Lattice="12.5399 0.0 0.0 0.0 12.5399 0.0 0.0 0.0 12.5399" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.78839824 stress="-0.004221340308051011 0.003945465623411498 0.00020807474386534255 0.003945465623411498 -0.006088432313491914 -0.002562289598228046 0.00020807474386534255 -0.002562289598228046 -0.0034407435287923537" free_energy=-219.78839824 pbc="T T T" config_type=density 
Li       8.52441084       9.63726427       9.08907000       0.17729631       0.01487591      -0.63862081
Li      10.59101144       0.73966475      12.00866971       0.27392820      -0.08303819       0.31973419
Li       5.65109340       1.08186733      11.17158373       0.44179318      -0.95606838      -0.54680507
Li       3.99153795       3.82606143      10.11552351       0.68054418      -0.23564235       0.23369200
Li      10.61222895       6.29437773       3.40717861      -0.28763376       0.39918408       0.01590637
Li       7.57609344       4.26893308       9.74900732      -0.61654036      -0.30564841      -0.50205844
Li      11.42216855       9.95708188       1.16358359       0.15241832       0.00710629       0.09700977
Li       6.28089733       2.36083681       6.79189826      -0.62032258      -0.76410790      -0.39486550
Li       6.87585289      10.84459330       2.11566923      -0.73544758      -0.68144234       0.26835487
Li       6.72082210      10.11156090       6.31643541       0.09766035      -0.10306339       0.06132345
Li       9.76211151       1.54555521       7.46358546       1.18441191      -0.35986667      -0.12798275
Li       4.94573656       8.96106270      11.10793120       0.57701214       0.25529524      -0.33838232
Li       8.11029318       1.14590108       3.23678645       0.15360068       0.48886864       0.42377260
Li      11.54033203       2.15410402       2.56300508      -0.13878163       0.13799433      -0.29122299
Li       9.36723006       4.78004686       5.81646960       0.07968544       0.08001450       0.00370260
Li      12.07445653       3.64376890       9.44669541      -0.22259458       0.31174617      -0.54241147
Li       8.31833013       4.56140116       2.40520298       0.46528353      -0.19468768       0.70634776
Li      10.91885459       8.34171704       7.23696439       0.01633678      -0.00559692       0.33564709
Li       5.12583460       2.29608077       1.59374605      -0.17863123      -1.10467116       0.65931136
Li       4.51481544      11.47493645       8.44677632       0.26820574       0.40055970      -0.40850267
Li       1.52378595       1.12119747       1.01562656      -0.13232060       0.20877044       0.14225588
Li       0.58497003       8.37089739       4.33089272      -0.76136259      -0.08246646       0.07474060
Li       2.57022806       4.33559519       3.41766197      -0.75310259      -0.75795456       0.56825703
Li       3.51459539      10.93172052       0.58424523       1.29690316       0.21077998       0.13923565
Li       4.26905848       8.52407226       3.37911431       0.85819707       0.98216566      -0.04403213
Li       4.19068410       0.26681898       4.55982114      -0.36621427       0.30022960       0.24537042
Li      12.00480993       8.12577996      10.75537191       0.01026072       0.20927790      -0.16676501
Li       8.90969927       9.02927976       4.33608424       0.58945647      -0.72678011       0.34571104
Li       0.18081407       5.23559635       1.39959078      -0.75543588       0.64563706      -0.15113772
Li      11.67788219      11.69785825       9.40749568       0.49889741       1.28540478       0.03931860
Li       1.16840267       1.37888740       6.48766774      -0.65473717       0.61718428       0.00202431
Li       0.77340335       5.62503548       6.60738617      -0.50561848       0.06949781       0.21210059
Cl      10.73127022       3.63081519       7.64227904       0.78259552       1.22505331      -0.64469861
Cl      11.10277730       9.80565004       8.91618240      -0.86508964      -1.53788034      -0.34879526
Cl      11.16900051       9.23118469       3.36298800      -0.12661464       1.00244579      -0.79302507
Cl       0.03837209       6.77168394       8.60702370       0.12712839      -0.25111893       0.46758121
Cl      11.99551786       7.43519513       0.66993413       0.35587238       0.06726287      -0.71347358
Cl      11.05320708       7.23856950       5.41627123       0.65514633      -1.26430644       0.60834652
Cl       8.73509370       8.89709667       6.74313059      -0.37052000       0.33820705       0.27514730
Cl      11.85849437       0.23562472       7.31328222      -0.31813339      -0.08794005      -0.46029673
Cl      11.34264051       1.70568974      10.05447928      -0.19184413      -0.45724103       1.30362761
Cl       8.21906428       3.37768476       4.49048803      -0.06533316      -0.83856491       0.52694306
Cl       2.62066354       1.78059056       2.84455092       2.69178451      -2.02437242       1.98420839
Cl      11.58913732      12.44533059       1.41774855       0.76365467       1.11388205       1.33790351
Cl       1.08093186       3.32935599       1.63777364      -1.69125795       2.02633978      -1.84048158
Cl       1.65395011       3.71110817       5.95315451       0.24792078      -0.94316130       0.31862532
Cl       2.84177960       0.18596421       6.40603299       0.78412343      -0.69474854       0.36224791
Cl       1.37291841       6.26232574       4.48713988       1.00486026       0.85534995      -1.36528903
Cl       4.19916107      11.10932313      10.71662362      -1.12260672       0.34021387       0.72416786
Cl       6.06314197       1.11097746       3.73075819      -0.24987429       0.97984929       0.95487220
Cl       8.01684585       2.57330034       7.92421361      -0.36332014       0.70054771       0.97588199
Cl       5.62529882       5.49300288      10.40568426       0.21742075      -0.03436163       0.05775716
Cl       8.33757887       6.29824001       3.98417703       0.17878507       0.46157758      -0.43709500
Cl       5.26892740       2.21812021       9.16867328      -0.48497237      -0.06734398      -0.14705793
Cl       5.67009134       9.22999339       0.69779528      -0.46745400      -0.67865930       0.04476730
Cl       4.11504342      10.94995354       3.45143192      -1.04137032      -1.72219263      -0.49722191
Cl       5.72540484      12.42060793       1.21431501       0.34279770       0.25232970      -1.91538458
Cl      11.70105593      10.91723694      11.60614143       0.16209695      -0.65075969      -0.41974885
Cl       6.23367207      12.23279785       6.87777149       0.01078954       0.24484650      -0.25635572
Cl       6.29023956       9.84610376       8.95659850       0.26760065      -0.87255655       0.21727898
Cl       9.31944050       2.15597247       1.78790132      -0.90089354      -1.42178133      -1.32383475
Cl      10.63776019       4.50739182       2.08671460       0.92693146       1.41654770       0.13284840
Cl       4.15631224       2.03362066      12.16522033      -1.62989707       1.43138339       0.34301501
Cl       6.75065453       8.97984747       4.05126549      -0.72347531       0.82759472      -0.21349046
64
Lattice="12.5658 0.0 0.0 0.0 12.5658 0.0 0.0 0.0 12.5658" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.01005931 stress="-0.002356163260025021 0.00315443320941511 -0.0011746027844672443 0.00315443320941511 0.0012126287356695401 -0.0014415423181289254 -0.0011746027844672443 -0.0014415423181289254 -0.007332956352922961" free_energy=-220.01005931 pbc="T T T" config_type=density 
Li       4.86327874       8.31848421       3.60840769      -0.03808057       0.72569660      -0.49778526
Li       5.69513470       0.95946417      11.12673945      -0.55950195      -0.31746756       0.70727218
Li       6.90930513       4.06415669       9.81004467      -0.66304507      -0.36515970      -0.38703259
Li       6.70271081      11.17217739       2.04412895      -0.62024658      -0.00550753       0.37701020
Li       6.73867413      10.44611290       6.47922806       0.88097452      -0.30229549      -0.18943290
Li       5.12928417       8.19297699      10.67031190      -0.01969352       0.17151930       0.34450350
Li       4.57738166      11.57258660       8.60406714      -0.07652532       0.26165358      -0.18054965
Li       8.33497053       4.89834989       2.17664788       0.59599577       0.00981482       0.77205008
Li      11.25922068       2.36259658       3.19477926       0.32311665      -0.11254611      -0.66922202
Li       4.07654657      12.45568351       4.37289840      -0.25650216       0.26138925       0.58449768
Li       9.06508121       4.64780041       6.45746409      -0.15655112      -0.03047005      -0.61770139
Li      12.03561120       3.73112530       9.33468045       0.00692948      -0.90048487       0.71840397
Li      10.89616959       0.74012688      12.29221740       0.08157877       0.08872192       0.50819594
Li      11.10490009       9.66519869       0.95418277       0.24358438       0.40460179      -0.48555003
Li      10.95904885       6.44541349       3.51701663      -0.53337716      -0.20933534      -0.19695511
Li      11.45847657       8.49520962       7.21160058      -0.29593928      -0.02038825       0.01976052
Li       9.31207458       9.07208036       4.33435909      -0.08294174      -0.36832743       0.38828532
Li      12.07082057       8.09586849      10.68791658      -0.00674528       0.37857808      -1.00184184
Li      11.77585098      11.38359697       9.14884484      -0.37203242       0.57965991       0.30424126
Li       9.63848380       1.63408176       7.77766474       0.53965386       0.11193124       0.48148507
Li       5.83646226       2.01811774       6.47087180       0.39299041       0.00962682       0.15885639
Li       8.55550032       8.77679663       9.36379541       0.16964978       0.28350680      -0.44544677
Li       1.65330744       1.62106359       1.46940695      -1.11253989       0.02034240      -0.85464410
Li       7.98062754       1.37721168       3.50355866      -0.13003460       0.45728940      -0.00133086
Li       3.82754268      10.91452822       0.52073806       0.41024136       0.00588835       0.05434698
Li       2.64150708       4.21420491       3.70829324      -0.73266124       0.59915315      -0.01170956
Li       0.20203545       5.96322605       0.75991675       0.32102910      -2.04294942       1.10098275
Li       4.99020589       2.51234322       1.82488087      -0.50836799      -0.41820474       0.10303943
Li       0.58429839       8.42477831       4.21747202      -0.09812033      -0.19624233      -0.16231848
Li       3.43902071       3.72242976       9.78126898       0.86631459      -0.20323976       0.59601976
Li       1.37437181       5.54014813       6.66786585      -0.44324031       0.60151979      -0.40758420
Li       1.31022340       1.11702171       6.29550350      -0.20034100       0.41487783       0.01518298
Cl       7.90261905       2.98106013       7.49155404      -0.81604275       0.19124942       0.17362673
Cl      11.86782007       1.11603404       7.42949155       0.48541018      -0.84134644      -0.59655606
Cl       3.05830210      12.43326097       6.74299677      -0.73827539      -0.09438743      -0.21517000
Cl      10.67947237       1.66808482      10.20337934      -0.12364661       0.46004704       0.44552453
Cl      11.73373042       7.51491386       0.12727019      -0.23338080       1.65299183      -1.32544194
Cl       1.73119027       3.66379774       5.65744987      -0.05027057      -0.58189425       0.94676458
Cl      11.82461885       7.20539308       5.57736803      -0.55326261      -0.62888981      -1.05793080
Cl       9.15115694       9.80927815       6.70492239      -0.28019730      -0.02269673      -0.75447277
Cl       0.26624417       3.50770537       1.98202877       0.79094270       0.72057135      -0.22600143
Cl      10.66272216       9.34253408       9.05605897       1.04366833      -0.52712765       1.39053098
Cl      11.15228572       8.65635344       2.89567552       0.35179645       1.02889582       0.23699489
Cl      10.72364115       4.19602220       7.88706259      -0.24965808       1.00965860      -0.80162189
Cl      10.45841481       5.16335005       1.46304866      -0.73099816       0.26674004       0.11686634
Cl      12.17610941       0.34170934       1.86695117       0.64994740      -0.49576533      -0.02744685
Cl       8.65115119       6.78812055       3.87181199      -0.37762266      -0.01509938       0.23234334
Cl       7.76330203       3.68083696       4.27047456      -0.23228053      -0.22806932      -0.04344239
Cl       5.82989034       0.67383097       3.33159569       0.83458938       0.86151508       5.08578608
Cl       4.79175421       5.54795149      10.53142211       0.57595960       0.43197154      -0.47243811
Cl       5.41918974       2.11536447       9.29626680      -0.10677734       0.58789530      -0.36475111
Cl       5.12989989       9.05825798       0.60231649       0.42589360      -0.66417763       0.03908989
Cl      11.20948525      11.13140136      11.54290618       0.15799862      -0.27396069       0.38938619
Cl       3.54417132       2.75135730      11.84413354      -0.60556417      -0.20191860       0.63350975
Cl       7.33417996      10.11578314       4.14216518      -0.58267472       0.09188199      -0.74555792
Cl       6.00652779      12.42640758       6.95924162       0.85193412      -0.28150435       0.10604342
Cl       6.52450264       9.37002805       9.15867129      -0.33335944      -0.35306168      -0.21597849
Cl       2.07181141       6.66349295       4.07714973       0.88035906       0.12624699      -0.39426214
Cl       4.24626027      10.96692761      10.74772979      -0.50496774       0.55059159      -0.04329086
Cl       4.11155489      10.63649733       3.20768433      -0.73082497      -0.94463576      -0.17407492
Cl       9.47981544       1.94462038       1.92790786      -0.78399444      -0.28483353      -0.23291593
Cl       5.78263037       0.66249034       0.97231647       0.27164374      -0.70104819      -5.77232194
Cl       0.57735579       7.07477158       8.09059086       0.79440841      -0.02812784       1.89276686
Cl       2.77544594       2.15859082       3.09498167       1.99367552      -0.70486441       0.64941271
64
Lattice="12.5957 0.0 0.0 0.0 12.5957 0.0 0.0 0.0 12.5957" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.62239909 stress="-0.009432142620115307 0.005699202435896636 -0.0017856558214983038 0.005699202435896636 -0.010405935346675608 0.0004691260128516288 -0.0017856558214983038 0.0004691260128516288 -0.00965814724114092" free_energy=-218.62239909 pbc="T T T" config_type=density 
Li      11.46238930       6.46032193       3.62411038      -0.84649418      -0.16962230      -0.42582659
Li      11.16935034      10.15883511       0.71795742       0.11784452      -0.62016428       0.26137360
Li       8.18075600       4.55592767       6.27343953       0.78693706       0.03326449      -0.10885937
Li       5.16632789       0.90366464      11.19952963      -0.17924772       0.53351373       0.25491708
Li       6.60703665       3.56708964       9.19501215      -0.50969630       0.14362577       0.49698856
Li       9.48795034       1.60440248       8.41776929       1.55216540       0.01579258       0.29010635
Li       6.45547259      11.71618006       2.59814023      -0.19431775      -0.72258942      -0.45981114
Li       5.33538737       8.93191317       3.40353448       0.37680813      -0.56381679      -0.37536451
Li      12.00756898       3.02384970       9.42055075      -0.34581701       0.72715340      -0.82204580
Li       4.59523885      10.74180190       0.04339962      -0.17223727       0.69508378       0.08974138
Li       7.18603579      10.27157922       6.34416439      -0.48764743       0.24026486      -0.00440564
Li      10.96888977       0.68281164       0.34097316       0.09039359       0.46401151       0.36562754
Li       5.16537061       7.75508432      10.72510000       0.39676908       0.15267578       0.07151200
Li      12.42701839       5.34477117       0.50905396      -0.19072195      -0.00449010       0.57216859
Li       4.51814057      11.90192884       8.52709996       0.23678616      -0.23372798      -0.09098298
Li       8.50728693       8.99875855       8.89445356       0.32762530      -0.06248904      -0.43114184
Li       5.62308576       1.96730979       6.60811988       0.18834798      -0.36033191      -0.04639216
Li       8.20303779       5.22265586       2.31265869       0.64617663       0.17961433       0.76874673
Li      11.30282697       3.05847528       3.03628165      -0.31029954       0.39276431      -0.17220270
Li       8.11815537       1.52710267       3.85501475       0.00160547       0.42392764      -0.49932032
Li       1.97363283       1.85325572       1.08185727      -0.63502249       0.00174173      -0.83070811
Li      11.31068669      11.79193060       9.42310768       0.42747292       0.09613511       0.03603094
Li       2.29462165       3.84850277       3.99787518      -0.57565670       1.22502301       0.46203370
Li      12.16100980       8.08500349      10.54433911       0.14091156      -0.12616911      -1.06416923
Li       1.34170656       5.76044186       6.76852612       0.01472424       0.25662946      -0.72922427
Li       1.23566588       1.19433939       6.15162652      -0.23689816       1.02106874       0.16738447
Li       3.10272397       3.38721045       9.96363955       0.92225224      -0.41807490       0.56207404
Li      11.91627535       8.17505015       7.20353121      -0.71444642       0.09973657       0.32582244
Li       1.29139933       8.71341556       4.04881219       0.07890214      -0.36758521      -0.44132563
Li       3.71977472      12.18465193       4.69610521       0.61393956       0.97544726       0.27325159
Li       9.60963740       9.50429956       4.16226166       0.12009421      -0.63875348      -0.43166493
Li       5.06548671       2.01124359       1.93634956      -0.58398977       0.15692056      -0.48501194
Cl      12.31887171       7.69881933       5.14647706      -0.63247046       0.50709284       1.23780217
Cl      11.88380363       8.12995754      12.55408381       0.20099897      -1.14942699       0.67366967
Cl      10.34298425       3.52226155       7.61348346       1.53458490       1.64895668       0.00537941
Cl       9.04770544       9.15217417       6.24229037       0.72153204       0.32587589       1.99715422
Cl      11.58101560       9.58486166       2.79247929      -0.03392600       0.64357887       0.39614058
Cl      12.23008462       1.30063198       8.14314524       0.59874826      -2.18336880      -0.86189917
Cl       9.12179334       7.02442036       4.05466919      -0.30367162      -0.38921973      -0.48974291
Cl      10.50504052       4.93546130       2.03896672       0.47383849       0.62404907      -0.54449068
Cl      11.38313715       1.88357357      11.02811475      -0.60296996       0.21062838       0.97436488
Cl       2.92696357       2.38672141       2.76227480       3.48032220      -2.30200353       2.48866146
Cl       4.23782327      10.70873818       3.22099760      -1.40470439       0.01829947      -0.17850575
Cl       0.03715732       1.51280655       2.74700881       0.05387791      -2.33462135       0.28323379
Cl       1.18368343       3.89933902       1.61436568      -1.66831482       3.10960122      -1.78613305
Cl       1.05954651       3.78203526       5.90306297      -0.30650532      -0.71911445       0.21497872
Cl       3.50350655       1.39096834       6.39143605      -2.04470880       0.50369098      -0.83836886
Cl       2.25007066       6.47279168       4.50448683       1.30879838       0.12841476      -0.31539358
Cl       3.88659217       2.79001053      12.53704183      -0.17179245       0.08287981      -1.14961754
Cl       0.37573603       6.73225050       8.54457020       0.26778668      -0.06361707       0.69801927
Cl       5.89642504       0.86435850       3.59928425       0.71810153       0.92775153       1.15938125
Cl       5.51467457       0.18210233       0.48580481       0.96905287      -0.38100798       2.24842732
Cl       9.54509703       1.95509196       1.99436535      -0.85141654      -1.02413948      -0.16756229
Cl       7.88151996       2.62573741       7.71877092      -3.89730874      -0.32311890      -0.60341817
Cl       5.02467664       4.77728450      10.19597983       0.07891684       0.52900480      -0.48428097
Cl       4.25730881       1.26051468       9.38159225      -0.71732155       2.12579155      -0.82133295
Cl       5.17411203       8.84399518       0.61108542       0.31079732      -1.39711556      -0.08761850
Cl       7.23102763       9.98588356       4.07703915      -0.09332257       0.42932620      -1.01455955
Cl      10.65935044       9.18057748       9.27229936       0.31255520       0.45112740      -0.41304273
Cl       5.61871505      12.25724095       6.56195664       1.67972501      -1.94559985       0.38744610
Cl       6.47466844       8.46140079       8.73903521      -0.74669005      -0.23700260       0.24947325
Cl       5.13805054      11.36653602      10.63190441       0.09869687      -1.86192218      -1.31422031
Cl       7.78459605       3.82988633       4.21246812      -0.39075666      -0.12609137       0.20010562
Cl      11.54206970      11.31037179      11.56281481       0.00028294       0.62472031       0.27662745
64
Lattice="12.6473 0.0 0.0 0.0 12.6473 0.0 0.0 0.0 12.6473" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.1874177 stress="-0.0004605959358160671 0.004994189352235491 0.0005695244070809001 0.004994189352235491 -0.01009354767137044 0.002127709601890104 0.0005695244070809001 0.002127709601890104 -0.008125555385709946" free_energy=-218.1874177 pbc="T T T" config_type=density 
Li       6.82539369      10.23591519       5.93240577      -0.34973954       0.24403697      -0.45242326
Li       5.50624235       0.88735860      11.56637321      -0.85999406      -0.54133195       0.38315928
Li       6.69721330       3.78927020       8.97405613      -0.12960648      -0.19845344      -0.23219841
Li      12.05223189       9.62916098       0.90885015       0.03290092      -1.53392892       1.05453171
Li       7.44347988      11.84076903       2.31501238      -0.65685729       1.16549455      -0.05379977
Li       5.65382370       8.46565996       2.68781684       0.31064644       0.54398277       0.21900136
Li      11.50709532       2.70551042       9.19889983       0.69757902      -0.96746007       0.69743313
Li      11.41769155       2.96375563       3.15604518       0.21625994       0.12118187      -0.20355712
Li       8.68259910       1.02884774       7.75785382      -0.20065468       0.10073698      -0.11283931
Li       8.59940516       9.63686318       9.62463324       1.41950197       0.16969327      -0.14699938
Li       5.47515529       7.94129026      10.26366337       0.07053663       0.32086328       0.44282085
Li       8.04394839       5.79179309       2.42842072       0.88349256      -0.04143533       0.78498107
Li       4.70219026      11.54985584       8.74206671       0.16851158       0.08325883       0.27890174
Li       4.69289449      10.49269332       0.50753615       0.14084918      -0.25992953      -0.11066340
Li      10.51879735       0.84872995       0.55940273      -0.02170448       0.05647194      -0.08752186
Li       9.21556897       4.74754347       6.26830542      -0.22973745      -0.22384119      -0.54336828
Li      11.63479510       6.25884523       3.37756264      -0.36983839      -0.15537786       0.27632855
Li       8.41701845       1.72175283       4.59428349      -0.40743174       0.37246818      -0.43265102
Li      12.29648919       8.88862362      10.43599548      -0.35943872       0.04962550       0.80509632
Li       1.73821962       1.15883922       1.30396192       0.55048083       0.54755931       0.28403032
Li       2.26938092       3.44179828       3.57622643      -0.70755324      -0.35133869       0.51381053
Li      11.82721113      11.75456503      10.01314565      -0.22188597       0.41884541      -0.52317650
Li       1.30030685       6.29298030       6.63062527      -0.71546632      -0.13629217       0.04288730
Li       0.20549712       1.85451154       6.14061827       0.37696023      -0.16927760       1.04498907
Li       4.81714157       2.10064065       6.95925271       0.51674046      -0.54053430       0.14038033
Li       3.27572658       3.18054300      10.55665072       0.85334029      -0.53126532       0.33321374
Li      12.15693888       5.56113164      12.40546845      -0.04264982      -2.24960997       0.92678777
Li       4.01926135      12.50658614       3.79573297       0.60125949      -0.02266950       0.47856899
Li       9.66628080       9.47190445       4.36842801      -0.51001646      -0.61823911       0.07703946
Li       5.60228595       2.23883769       2.05488271      -0.24325930      -0.85257925       0.38396054
Li      11.56145341       8.83313991       7.19714842      -0.15737513      -0.27493066      -0.12594635
Li       0.97482985       8.50458835       4.48201341      -0.00629063      -0.44564520       0.22231680
Cl       8.51461766       7.24135074       4.23703521      -0.09223958      -0.55661693      -0.17631939
Cl      11.06843636       1.05639988      10.98703834      -0.26432489       1.08761733       0.37078611
Cl      11.55013408       8.46178989       3.00862826       0.62007908       1.55741747      -1.03701775
Cl      10.03225572       3.01362394       7.85912075      -1.29068186       1.48503403      -0.75714227
Cl      11.88393427       0.75973343       7.95671997       0.74334282      -0.89227358      -0.14861769
Cl       8.77290082       9.82372704       6.56852702       1.39027766      -0.07864349      -0.11607905
Cl      10.85364727       9.85180404       8.94896389      -1.00496687       1.46831748       1.05593932
Cl      11.47828477      10.88287518      12.09916602      -0.06856696       0.49586695      -0.21888606
Cl      11.94834697       7.29888330       5.64206171       0.13043655      -0.49200508       0.41958911
Cl       3.51205403       1.75023455       2.92177925       0.09513891       0.17315318       0.16756172
Cl       9.26591787       1.68243238       2.30003798       0.58305835      -0.63186275      -0.47501512
Cl       0.95782556       3.23267517       1.62281300      -0.98312563       1.08312183      -0.80537542
Cl       0.36248932       1.64397194       4.11978209      -0.50047791      -3.99881604      -2.55697212
Cl       0.20544021       3.88860209       5.25101984      -0.33555071       3.88753382       1.29368293
Cl       2.93120148       1.91711568       6.02688111      -0.25556567       0.08559934       0.52609413
Cl       3.49121128       2.09928739       0.02010921       0.12822968       0.50487535      -1.58978891
Cl       2.82888483       7.41735056       5.62682171       0.09432813       0.42460690      -0.55607950
Cl       0.19218964       7.79502423       8.77874388       1.56676954      -1.58294037      -0.77765631
Cl       8.07985408       3.99271467       4.16898009       0.28845093       0.32996172      -0.06938720
Cl       7.12342731       2.80587939       6.92640767      -0.55146686       0.00769414       0.84423931
Cl       6.41678472       0.84926493       4.24338415       0.10988239      -0.05621162      -0.46076879
Cl       5.25738143       4.70183613      10.38444508      -0.09943935       0.21378169      -0.12612510
Cl       4.50514532       1.10507554       9.54620733      -0.05920054       1.34453627      -0.63197874
Cl       5.37132096       8.22144060       0.49624211       0.08556138      -0.47194160      -0.42520610
Cl       7.65500598      10.10337149       3.38626399       1.22425333      -0.57828114       0.28199923
Cl       4.92587040      10.65374404       2.86788910      -2.37045621      -2.13190144       1.86480451
Cl       5.43193947      12.49135879       1.16368313       1.86080586       2.46137076      -2.12723935
Cl       6.15133054      11.99966971       7.15451437       0.04408234       0.39756485      -0.18003972
Cl       6.69875627       9.46587168       9.06720349      -1.25047740      -1.16906316       0.02211631
Cl       4.69269213      11.01782187      10.94031921      -0.49893054      -0.48953802       0.34310984
Cl      10.55486745       5.33747678       1.57353912      -0.18468439      -0.59204587       0.16098265
Cl      11.97562719       7.45295271      12.26121587       0.19589858       2.63400916      -0.48030478
64
Lattice="12.691 0.0 0.0 0.0 12.691 0.0 0.0 0.0 12.691" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.7940783 stress="-0.013063013133689088 0.0015732926740257675 -0.0012878061901625772 0.0015732926740257675 -0.008766988181981092 -0.002308487636121672 -0.0012878061901625772 -0.002308487636121672 -0.015002460751173632" free_energy=-217.7940783 pbc="T T T" config_type=density 
Li       4.85783560      10.43936278       0.62223973       0.03791085       0.35958947       0.28375699
Li      11.82704748       9.33324060       0.80598637       0.30289783      -0.08551901      -0.50768362
Li       5.34353286       0.85141888      11.48487274      -0.49332396      -0.23126669      -0.60369522
Li       6.85084293       3.72625527       8.52034398       1.54593047      -0.67871236      -0.62541099
Li      10.66942523       2.90266014       9.72436453      -0.40925496       0.09131638      -0.59797343
Li       8.04960941      11.83338029       2.39622578      -0.81690959       0.03581668       0.46435145
Li       6.13325572       8.47733418       3.29195656       0.82037884      -1.13846960       0.08492111
Li      11.99932781       6.44333492       4.18682436       0.53535608      -0.64920130       0.07396458
Li       9.13202480       0.87980231       7.09168004      -0.36495428       0.09761169       0.76173304
Li       6.83879917      10.15587122       6.28478626       1.27157877      -0.07543967       0.43845378
Li       9.60386349       5.34982760       5.90023627       0.08484687       0.91944187       0.55283349
Li       5.09761935       8.26660013      10.76616872       0.32213233       0.41005234      -0.46001793
Li       5.22964383      11.33557582       9.25644736       0.35683585       0.49788779       0.27292768
Li      10.00785609       1.07883653       0.63268950       0.31394509       0.01452933      -0.68226585
Li      11.52733683       2.77243779       2.85220072       0.42707217       0.36563095       0.74812020
Li       8.74502544      10.27170198       9.07421729      -0.45400630      -0.59063502      -0.30193611
Li       4.46506184       1.61718875       6.97582390       0.20801363       0.65704261      -0.23094226
Li       7.85333040       2.08207277       4.53014129      -0.45876367       0.22837450       0.46478325
Li       8.54254054       4.89079413       2.73398406       0.63212076       0.50735872       0.71001097
Li       2.11956198       1.32957262       0.92214202      -0.14960513       0.54827408      -0.46089486
Li       2.03533182       2.85280989       3.92616391      -0.59936067       0.13241111       0.66988448
Li       0.94147803       6.14787575       6.66969160      -0.31606284       0.12478643      -0.03079734
Li      12.31116979       1.97257482       6.19240847       0.49211403       0.54673080       0.38668149
Li       3.78751473       3.61505673      10.35857187      -0.65937767      -0.63639591       0.46171468
Li      11.81280818      12.54511696       9.92005975       0.05696896      -0.89808635       0.03972860
Li       4.42073218      12.34251783       3.20343684       0.60812474      -0.03315185      -0.13844818
Li      12.63062891       8.78952009      10.26223449      -0.22154367       0.90326356      -0.07596540
Li      12.45229498       5.40245717       0.72033228       0.06529538       0.41673486       0.18761199
Li       9.68193852       8.25748799       4.01629539       0.11187487      -0.06542151       0.56335606
Li       5.69443901       2.12338197       1.56766847      -0.60724618       0.62320221      -0.31526663
Li      11.04691902       9.09319034       7.44908398       0.91662971      -0.21913284       0.35672540
Li       0.78083154       9.79383507       4.48398412      -0.30705630      -0.17772666      -0.27183938
Cl      10.94952829       1.37538713      11.29516767      -0.45283022       0.38576510       1.62339735
Cl      11.19141875       7.52083889       5.87545074      -0.57866307      -1.67500386      -0.72434687
Cl      11.93339806       8.05598029       2.70394446      -0.11886887       1.61592457      -0.23734180
Cl       9.07170447       9.07040999       6.89073074      -2.41681251       0.33433288      -0.09002444
Cl       9.04166488       3.03979908       7.96536655       1.94894080       1.87856307       2.13164651
Cl      10.80674185      10.60333050       9.01807231       0.76486823       0.67974071       0.01659865
Cl      12.29110659      10.70815816      11.57277061       0.38061957       1.11164735       1.19949477
Cl       8.03506552       6.68324558       4.51545780      -0.59188978      -0.21592895      -0.81175848
Cl      11.47991056       1.39829438       8.33962414       1.00980252      -0.51982088      -1.39777656
Cl       0.15762222       4.23579892       5.04714725      -0.08213917       0.84777166       0.57644445
Cl       2.81252866       0.99173566       2.90094685       0.62179729      -0.24038279      -0.18453017
Cl      11.00533062       5.09827928       2.51725985      -0.97577907       0.06511150      -1.24374759
Cl       0.83548660       3.51445517       1.74073563       0.40674457      -0.45068028      -0.76005473
Cl       2.55619584       2.77481100       6.74368013      -0.03283506      -0.28606775      -0.45634037
Cl       3.64885287       2.31605674      12.14215232      -0.04478208       0.41039792       0.51470583
Cl       1.36512011       8.10934594       5.56167846       1.61821475       0.10266307      -0.65295068
Cl       0.24602646       7.93560615       8.40113742       0.41564262      -0.71833529       0.03848285
Cl       4.47833662      11.40952628      11.43085985      -0.87936789      -0.49349765      -1.56059792
Cl       5.62364861       0.16314534       0.93428985       0.85509864      -1.02533758      -1.39956130
Cl       6.16834633       1.18402461       3.35074128      -0.23786583       0.37783271       3.13365201
Cl       0.31092950       1.12752301       4.32290995      -1.45880130      -0.71317963      -0.15943175
Cl       6.95914792       2.40461453       6.63169474      -2.39536496      -1.26727311      -2.08150683
Cl       4.94525121       4.11383841       8.81712301      -0.67138749       3.27402801      -0.40223746
Cl       4.91051594       1.42910813       9.07973788       0.19427968      -2.71139318       1.10125893
Cl       5.45300542       8.45267557       0.16469365       0.31376118      -1.13112826       0.39726115
Cl       7.89444924       9.84461176       3.90429731       1.45081337       0.71073994      -0.11167129
Cl       5.30973673      10.28684234       2.91640449      -2.18791490       1.18333465      -0.09808721
Cl       7.77135923      11.85923186       7.99456854      -0.56938027       1.30502159      -0.91462891
Cl       6.57180591       9.43518741       9.32372235      -0.94266801      -0.85322839       0.23881753
Cl       8.82106992       1.44677400       2.38567956       1.46207586      -0.37587740      -0.80371432
Cl       9.27709562       3.78389780       4.56089158      -0.03982240      -1.40892549      -0.17414407
Cl      12.42896892       7.75939162      12.04615760      -0.01804819      -2.19771085       1.07427071
64
Lattice="12.7771 0.0 0.0 0.0 12.7771 0.0 0.0 0.0 12.7771" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.06969747 stress="-0.0034642378299270214 0.0012696786943403638 0.0005976501576473385 0.0012696786943403638 0.0007932876460058254 -0.0005675604475778405 0.0005976501576473385 -0.0005675604475778405 -0.00612648710046637" free_energy=-221.06969747 pbc="T T T" config_type=density 
Li       5.53401755       2.10935866       1.61447602      -0.17871761      -0.84460541       0.15172794
Li       9.44374627       5.64950976       5.74632185      -0.07210015      -0.00603469      -0.13296825
Li       8.62024939       1.27665589       8.44409152       0.08763232       0.14167260      -0.25509791
Li       6.39143762       4.14547899       7.93273920      -1.11991985      -0.32732496      -0.13515126
Li       7.59230615       1.67114246       4.76277902      -0.29235986       0.27688621       0.54777151
Li       5.61545879       0.46308427      11.17320341      -0.38154698      -0.43288123       0.04199385
Li       8.58237807       5.01958595       2.57499452       0.64792862      -0.57132145       0.60864390
Li      10.41819180       3.51756118      10.20315320      -0.46038912      -0.15336911      -0.23379624
Li      12.13157535       3.52705457       3.82909244       0.34764193      -0.27354184       0.62545554
Li       9.14876136       2.10859204       0.82470431       0.61683375       0.13279361      -0.06478453
Li       7.10581806      11.65500230       2.47167889      -0.42448193       0.38778349      -0.06471503
Li       6.49472770       8.34635948       2.53944863       0.29514083      -0.04095374       0.13016725
Li       8.21379707       9.35433212       9.86085470      -0.13321242       0.32059535      -0.88532153
Li       5.24240580      10.15981328       0.28236497      -0.03870697       0.44340384       0.02172013
Li       5.12062726      10.77026479       8.64452588       0.47561622       0.03347244       0.42047023
Li      11.44009148      12.75111138      10.77497954      -0.10056789      -0.17051646      -0.10615650
Li       7.11481314      10.19155160       5.93197311      -0.02121989       0.21052295       0.10634111
Li       5.58363103       7.16201175      10.51683101       0.06217264      -0.07806022      -0.57732341
Li      11.04889501       9.28762288       7.31239822       0.01292672      -0.40192798      -0.39673772
Li       1.93357132       2.78898539       0.71065719       0.90768723      -1.21336368      -0.72366764
Li       9.84650601       8.92672092       3.82497821      -0.64719709      -0.46961357       0.11535884
Li       0.24468147       9.26061209       0.49832351      -0.25456338       0.18147511      -1.07002012
Li       3.80572312      11.93456525       2.91929903       0.14686652       0.75469825      -0.13361268
Li       0.63048089       9.63418894       4.18862725      -0.38087036      -0.15230989      -0.33421750
Li       0.39809738       6.52442168       4.21890898       0.19237014       1.42432821      -0.55694317
Li       3.54395867       2.66488142      10.51991029       0.45983976       0.18364598      -1.18651066
Li       0.44318521       5.99621637       0.62245176      -0.26861717       0.48485408       0.25031730
Li       0.15219443       9.14006015       9.65099083      -0.59974644       0.56562297       1.50060630
Li       0.20321339       2.37283524       7.13901297      -0.47648575       0.00523202      -0.18498708
Li       3.97263038       1.63219786       7.10396538       0.16181109       0.10157580      -0.63948258
Li       2.00834291       5.61142122       7.18982750      -0.65936237       0.27669126       0.06187982
Li       2.66342483       2.79523339       4.04070677      -0.70190938      -0.76718070      -0.32791965
Cl      12.37232147      10.97635941      11.79593371       0.61761270       0.32800327       0.70413785
Cl       5.80508373      10.81743784      10.94178458      -0.03764471       0.37322462      -0.30155915
Cl       8.28831311       4.10408118       8.56026091       2.30051552       0.62465200       1.37488699
Cl      11.53869236       8.66606808       4.92400047       0.51201536       0.07189159       0.06805605
Cl      10.86516031       4.46932736       2.37886603      -0.70671687       0.38608285      -1.04392696
Cl      10.96818207       1.84303279       8.78998039       0.44725912      -0.38471724      -0.26838511
Cl      10.64737464       1.81351769      12.09885320       0.07270060       0.25425901      -0.33542472
Cl       8.91508098       9.22254911       6.41250706       0.63512389      -0.83163580       0.37775277
Cl       2.68182385       1.18927969       2.10901368       0.12570472      -0.83238588       0.57848738
Cl       4.57301353       4.40835504       9.39607491       0.13096932       0.73998717       0.17274399
Cl       7.15706701      11.28234540       7.96388977      -0.08142312       0.62666940      -0.05280800
Cl       1.18309174       3.76640798       2.26819079      -0.33311283       2.14664808       0.77503211
Cl       2.23153329       3.14605422       7.44952205       0.40736233       0.44306933       0.18447549
Cl       0.65197964       1.79550198       5.01051421      -0.26896536      -0.15525387      -0.32464248
Cl      12.64535277       5.34351099       5.80945350      -0.33066030      -1.18708705       0.57878859
Cl       0.43342351       7.89383293       2.10470780       0.24631396      -0.41100752       0.75933490
Cl       1.68020143       8.39992108       5.43733324       2.01650341      -0.55766066      -0.31941568
Cl       0.12474181       7.53470698      11.64713161       0.12402379      -0.48417264       0.08154567
Cl       0.47870300       7.92563513       8.11334351       0.09282557      -1.01286131      -0.48715028
Cl       5.58921462      12.56795548       0.92400793       0.63658687       0.07501684      -0.41187538
Cl       5.01174081       0.43901093       4.41002884       0.16476050       0.54449438       0.50872448
Cl       7.81147174       1.85582267       2.39589791      -0.67636829      -0.15317628      -0.05568401
Cl       6.98596886       1.81919072       7.11623140      -0.53503723      -0.16408560      -1.15347534
Cl       8.68569370       3.71407298       4.76228071       0.05163125      -0.03165890       0.37200743
Cl       4.64096215       1.03637741       8.98424342      -0.36635485      -0.82497931       1.54232036
Cl       4.27984297       2.21557469      12.46628427      -0.13632433       0.89474289      -0.37759641
Cl       5.53994613       8.02674032      12.57748720       0.21898891      -0.71962532       0.68670832
Cl       8.00248939       9.96256041       3.57459816       0.42202534       0.72655162      -0.57034061
Cl       5.27707007      10.25008349       2.78414287      -1.47446546      -1.08688481      -0.10517872
Cl       8.36321247       6.74146628       3.84309614      -0.42397194       0.75562659      -0.33254455
Cl       6.59688062       8.06843200       8.60982328      -0.35682797      -0.37527499       0.78413356
Cl      10.75691272      10.11215470       9.34518372      -0.69754304       0.19929830       0.01783121
64
Lattice="12.8002 0.0 0.0 0.0 12.8002 0.0 0.0 0.0 12.8002" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.37686905 stress="-0.000963398404371474 -0.00036949517444862217 0.0013178401011404897 -0.00036949517444862217 0.00013419620359498384 -0.000786838575493961 0.0013178401011404897 -0.000786838575493961 -0.010437604788946377" free_energy=-221.37686905 pbc="T T T" config_type=density 
Li       6.66425773       8.26036587       2.68983403      -0.51754588       0.57979930      -0.73338195
Li       6.49265825       4.09210874       7.81594292       0.10669021      -0.37182110       0.23895873
Li      10.25008016       3.52155262      10.32165887      -0.11230598      -0.55372350      -0.18426243
Li       7.46284941       1.93169098       4.89132763      -0.45568018      -0.33053305      -0.06228009
Li       4.34062462       1.38402162       7.15692463      -1.00320413      -0.03193002       0.11924382
Li       5.55413478       0.34163094      11.28518113      -0.81056901       0.09647810      -1.12859672
Li      12.70175366       2.29488386       7.11595119       0.01307629       0.25319699       0.43156305
Li       9.47285201       5.67133341       5.68925369      -0.18248874       0.17847210       0.16232822
Li       8.55731771       1.11239626       8.42829169      -0.06641241       0.14516216      -0.06451546
Li       6.91479604      11.58516662       2.46987539      -0.03537063       0.05941445      -0.55542188
Li       8.73486928       4.90667507       2.76462560       0.00701384      -0.30434288      -0.11903220
Li       7.25898062      10.37992538       5.80432749       0.15609133       0.24216897       0.13974751
Li      11.80840210       3.33369689       3.66866532       0.46435024       0.15572044       0.30790190
Li       8.87679790       1.90671779       1.04176732       1.17485015      -0.15861591      -1.31026481
Li       5.80559471       6.75476794      10.31117551      -0.10830229      -0.07489028       0.41226815
Li       5.18918828      10.61743309       8.78009239       0.25080376       0.46578924      -0.24888197
Li       5.12842573      10.13583837      12.68383338       0.29548032      -1.32574308       0.69134895
Li       5.27291439       1.90258333       1.88296062       0.99671230      -0.20707244      -0.73684102
Li       8.09013601       9.68916259       9.49513716       0.23648915      -0.01362881      -0.09552802
Li      11.13075952       9.67847442       6.99641012      -1.61339430       0.64980202       2.28384084
Li       0.82850063       9.89568102       4.28770859       0.02343299      -1.22740474       0.09370002
Li       1.87109484       2.86531197       1.05575922       0.24006566       0.17085647      -0.02245938
Li       9.90227312       8.85524236       4.18592140      -0.33135479      -0.14572085       0.24425563
Li      11.61655271      12.63525662      11.17187376      -0.59838514       0.48624553      -0.36923691
Li       3.94587925      12.05215631       2.69683574       0.85071750      -0.07338392       0.00609587
Li       0.33334153       9.39425878       0.72425964      -0.34350321      -0.11625495      -1.46690827
Li       0.59960489       6.70761200       4.25047281      -0.74659372      -0.64954814      -0.02986023
Li       0.21589329       6.25567534       0.95218640      -0.07115063      -0.04483153       0.30605685
Li       3.32143430       2.98224180       9.96663253       0.74749560      -0.06115522       0.01739652
Li       0.19570098       9.31964642       9.73176166      -0.29576456      -0.45450897       0.56079147
Li       2.82650176       3.05872299       3.91912684      -1.02201990       0.34038159       0.52328389
Li       2.04713599       5.19694520       6.88138752      -0.00361810       0.51526480       0.42495440
Cl      12.58925270      10.81069051      11.76824788       0.81134533       0.01208853       0.39779549
Cl      11.27084490       1.60075461       9.00092144       0.22605302      -0.06710987      -0.52556817
Cl       8.54525992       3.82119251       4.85706149       0.71208053       0.90223247       0.72980689
Cl       8.82038742       9.03928364       6.44295507       0.91391523      -1.50571479       0.13628163
Cl      11.86719342       8.90009426       5.38509534       1.04512936      -0.48491936      -1.32576083
Cl       0.01459223       8.43327097       2.53472120      -0.09465633      -0.09956532       0.16349875
Cl      10.47167722       1.80317697      12.13417999      -0.14467994      -0.16622554      -0.01906836
Cl      10.70588248       3.94375442       1.88979593      -0.38340450       0.34545554      -0.01112840
Cl       8.60195200       3.77109252       8.59918716       0.67231010      -0.05440060       0.12270352
Cl       3.26160616       1.44152012       2.52698988      -1.03712580      -0.39346759       0.51157129
Cl       5.21396947      10.88009320      10.90098313      -0.53597937       1.62619945      -0.90592356
Cl       1.14570878       4.68454039       2.70273663       0.52308344      -0.31712446      -0.81974068
Cl       2.64658215       2.93073379       7.43141211      -0.15758073       0.44534064      -0.00980640
Cl       0.25770643       4.72112337       5.80044903      -1.22170199       2.24266716       0.47020978
Cl       0.47623784       2.17899085       5.01487516       0.21463665      -2.65351401      -1.31278180
Cl       3.65077064       2.49638461      12.46497556      -0.38406563       0.35188086      -0.43789315
Cl       2.29533186       7.68297444       4.75144704       1.36954519       0.90669745       0.46670915
Cl       1.19898961       7.63894176       8.61098894      -0.05973514       0.25607916      -0.16265045
Cl       6.45196641       0.17620627       0.30496476       0.60241616      -0.13694364       1.35462757
Cl       6.00843948       0.29725136       3.81332038      -1.11493470      -1.06073425       0.94795737
Cl       7.55238680       2.25941450       2.47609629      -0.57332932       1.38352293       0.30987505
Cl       6.30637694       1.86427233       7.00150460       1.84549811       0.50380009      -1.19177509
Cl       4.57699311       1.10995654       9.26583438      -0.41668669      -0.92300851       1.17749850
Cl       5.50260118       4.29743675       9.77610155      -0.53707443       0.82414764       0.12093727
Cl       8.16526038       7.07570736       3.47723833       1.10856730      -1.35254640       0.42915747
Cl      10.26147233      10.35737143       9.54546755       0.74372291      -0.11377087      -0.41447465
Cl       8.16652760      10.18633516       3.66336604      -0.18137916       0.83476426      -0.62463339
Cl       5.18337699       9.90736760       1.96206586      -0.73912322       0.78325434       1.37949927
Cl       7.55608606      11.25495986       7.94632576      -0.86297369       1.84363149      -0.15794023
Cl       6.09267760       8.73735252       9.16400879       0.16847281      -2.00805857      -0.77500361
Cl       5.96303717       7.68687851      12.50184014       0.05394203      -0.11773704       0.07753508
Cl      12.39051680       7.41368384      12.05236112       0.18810672      -0.00056398       0.06222024
64
Lattice="13.1977 0.0 0.0 0.0 13.1977 0.0 0.0 0.0 13.1977" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.05409819 stress="-0.006976957218623272 0.00048422559655914813 -0.0009261377995012121 0.00048422559655914813 -0.007210000302109015 -0.0039373711974714145 -0.0009261377995012121 -0.0039373711974714145 -0.013529563968531977" free_energy=-218.05409819 pbc="T T T" config_type=density 
Li       7.21955103       8.80113700       2.19654600       0.24660994       0.06328475       0.08734137
Li       4.49474069       0.85923626      10.85721988      -0.18415497       0.51204672      -0.03933966
Li       4.47871868      11.99930925       2.41523189      -0.04777947       1.20918498      -0.30863765
Li       7.10911268       9.67941754       6.21777961       1.11970580      -0.25158562      -0.72423751
Li       6.36350861      13.02760804       7.87430212      -0.40559935       1.31443130       0.07566105
Li       6.90681833       7.17098349      11.69745145      -0.25863148      -0.46868152      -0.46463949
Li       5.83676201      11.17527125      12.86953919      -0.03644962       0.21313324      -0.38808411
Li       5.39950901      10.15536620       9.19718678       0.33963609      -0.57359438       0.77878257
Li      11.00510011       2.94998950       0.60247501      -0.18053594      -0.02144242      -0.56443098
Li       6.87845647       3.59890721       9.97355468       0.13303271       0.22350393      -0.33056684
Li      11.97663560       3.43772370       3.92855936      -0.04733167      -0.15796198      -0.00469696
Li      12.94861981       0.87875434       6.90557775       0.17910985       0.60161819      -0.05606853
Li      10.43270266       2.53212392       9.34764056      -0.44704023       0.30863649       0.04768636
Li      11.00975890      10.04590447       4.08338158      -0.90912607       0.01040795       0.16313610
Li      12.58370340       6.84542263       1.94578970      -0.35220986      -0.47332719      -0.76006458
Li      11.71082072       8.11824841       7.48020560      -0.90977947       0.23869892      -0.26097428
Li       9.01459660       7.60843446       4.91710668       0.64008729       0.34239094       0.66267438
Li      12.55131625      12.35480249      10.37626930      -0.56362756       0.25128049      -0.63545614
Li       8.98721137      10.27516172       8.83774742      -0.13088754      -0.68042694       0.12983691
Li       8.98008462       4.91833407       2.71893736       0.30026535      -0.30339946       0.37162312
Li       8.17468178       2.96954849       6.12332367      -0.54286493      -0.44283250      -0.54570662
Li      12.90402478       8.84247220      10.84395619      -0.70876993       0.75800765      -1.69162825
Li       1.99751149       4.76056876       5.73255297      -0.72121926      -0.25331202       0.49966674
Li       8.37226454       1.33617474       2.29042124      -0.37265152      -0.18553683      -0.29700135
Li       1.85403929       3.85924504       1.18996006      -0.19743762      -0.14856582       0.10802333
Li       3.65475987       4.69851318      10.72697178      -0.80860762      -0.43672244      -0.14276556
Li       1.69067816       1.39027211       3.96027343       0.18172223       0.33356675       0.19352973
Li       4.95989363       2.17611596       0.75198251      -0.68716370      -0.03261765      -0.01036284
Li       0.15144757      10.07705104       1.03094098       0.05550784       0.05598344      -0.69622245
Li       0.66285052       8.16693473       4.96654527      -0.34957917      -0.24595865       0.30010224
Li       1.62340948       6.64170293       8.27428482       0.28577423      -0.37187745       0.18279916
Li       4.17158181       3.28601614       7.33888463      -0.49511832      -0.28036031       0.32825521
Cl       0.41557578       6.53928878       6.47791947       0.77744843      -1.68447464      -2.08544624
Cl      12.50327662       1.22186418       4.72175433      -0.30216162      -0.98135535       0.33048809
Cl      10.18218392       2.79101000      11.57814424      -0.01271206       0.03568999       0.47596314
Cl       6.13991318       2.31566844       7.22852546      -0.82374203      -2.20447293      -2.23548755
Cl      10.16960651       2.63383859       2.75637924      -1.17401240      -0.87990908      -0.22840838
Cl       1.70989401       2.63203051       6.50587220       0.34626131      -0.82470957      -0.79239324
Cl       9.41741680       9.16647573       6.80175144      -0.32488373      -0.49894078       0.74945593
Cl       2.45024539       4.68911641       8.43160140       0.27090991       1.00439287       0.41184932
Cl      11.58403042       8.15063557       4.94751418      -0.75896707      -0.23574900       0.33691097
Cl      10.97334644       9.91131433       9.71033975       0.17521996       0.32774274       0.09570708
Cl       0.83418438       3.26687947       3.04605556       1.00492623       0.53990821       0.02340177
Cl      12.03503542       0.97264673       8.98822760       0.21789155      -0.35086127      -0.25706368
Cl      11.82901932       4.76175656       1.62889973       0.00409016       1.45178236      -0.37971504
Cl       0.28483540       8.51953768       2.84589924       1.32350482       1.33653023      -0.70233532
Cl       4.18679875       0.17415289      12.93407594      -1.26362164      -0.83909950      -1.11978125
Cl       8.68061560       4.68951235       5.02179084       0.61490211      -0.22422364      -0.02797542
Cl       5.62004258       5.22474507      11.02943667       2.18121918       1.99052145       1.01267540
Cl       6.52363631       0.72279580       1.08361564       2.67604947       0.65950835       0.88360569
Cl       4.71739909       3.09982299       9.52273445      -0.74361553      -2.18586534       0.91432926
Cl       6.10780318      10.80390117       1.76128586      -0.48518025       0.32024479       1.42685539
Cl       8.46310431      10.12102578       4.09739754       0.02336333       0.13068105      -0.51228605
Cl      12.98389726      11.31356995      12.07974923       0.38873394       0.63460387       0.99485966
Cl       6.73912835       8.62992324       0.02937412       0.08956969      -0.39161885      -0.20057755
Cl       8.02929591       6.83025847       3.23034824      -0.82478881       0.86497142      -1.50413039
Cl       0.11002936       8.48580436      12.73816928       0.43542742      -2.00130134       1.91339604
Cl       0.32011417       8.22565129       8.61825647       0.45163700       1.70957645       1.98563862
Cl       6.88158433      10.97264697       7.86728095       0.69892448      -0.12519070      -1.35260110
Cl       7.19045010       8.57882174       9.99208425      -0.33539785       0.44355457      -0.69805667
Cl       5.31675943      12.29067487       9.81710914      -0.65500426       0.47339111       0.68983020
Cl       8.37436298       3.47407016       8.06593273       2.59025467       0.84521966       2.83005154
Cl       3.47075754       3.88597038      13.02426902       0.01026613      -0.07222767       0.00840708
Cl       3.78682926       1.17373085       2.71724806      -0.70139857      -0.37629202       1.00459825
64
Lattice="13.4346 0.0 0.0 0.0 13.4346 0.0 0.0 0.0 13.4346" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.56446626 stress="-0.004896732175559156 0.0007444098949618127 0.0030171013777409383 0.0007444098949618127 -0.003033277016346287 -0.0008773542453129273 0.0030171013777409383 -0.0008773542453129273 -0.006157249339385692" free_energy=-219.56446626 pbc="T T T" config_type=density 
Li       7.70047090       8.52195638       2.44417021      -0.16066697       0.74529638       0.74233215
Li       8.59756631       1.24911821       2.21614475       1.03009802       0.47192620      -0.34803203
Li       8.16888166       2.48499796       5.98897003      -0.27610118       0.17152396      -0.06443349
Li      10.69697782       3.80259636      13.28500573      -0.14548328       0.17277237      -0.03121965
Li       7.26152221       3.97067664       9.87862260       0.23003871       0.29294608       0.39475378
Li       4.88915994       0.90074157      11.34252378      -0.00352097       0.05073368      -0.50133488
Li      10.45064099       3.62912880       8.72313952      -0.08458882      -0.38590287       1.14073841
Li       4.95852278       1.68453762       1.10974498       0.13472632       0.12298892       0.58581942
Li      10.04655510       5.78080090       5.79185758      -0.72992978       0.50803348      -0.55406570
Li       9.21307251       5.34423014       2.42198969       0.27045563      -0.04673991      -0.46874650
Li       7.20129490       9.73786829       6.27336708       0.75047297      -0.52423507       0.15611901
Li       6.44561208      13.14243775       8.08897266      -0.17518036      -0.32979052       0.51559471
Li      11.92018471       3.27949334       3.50845922       0.13996667       0.25341581      -0.00655963
Li       7.09654532       7.64850586      12.20342639       0.48416427      -0.69221505       0.30635059
Li       5.82220634      11.35714063      12.70326068       0.21086015      -0.13541804       0.31954665
Li      12.82946531       1.99792654       7.29144107       0.06907143      -0.20234559       0.34417124
Li      13.31011285       9.43091455      10.80425310       0.20441369      -0.08361047       0.26402520
Li      10.23066285       9.58644691       4.55490709       0.18399095      -0.68432897       0.17469786
Li      12.90756064       8.12442657       1.73159903      -0.35131460      -0.62027972       0.29078825
Li       2.25474235       3.71818677       1.43453315       0.89495518       0.08898850      -1.14881030
Li       9.20679855       9.99090898       9.62247851      -0.03197939      -0.31081869      -0.00320979
Li       1.62519700       1.10737377       4.07779070       0.45221484       0.70752601      -0.07490661
Li       1.19346672       6.42285387       8.46292475       0.46152203      -0.10655634      -0.55046843
Li      12.76813636      13.20035431      10.47232444      -0.79060548       2.02397019      -1.30796420
Li       2.21727325       4.75021930       4.48402614       0.00951850       0.05534790       0.61347608
Li       4.01709318       3.48015252       7.85246996       0.10034550      -0.25243835      -0.29705058
Li       0.51650394       8.19245938       5.85916492       1.02401059      -0.12760129      -0.09647379
Li       3.21702245       4.31977472      11.27023220      -0.07423158       0.00132423       0.24389230
Li       5.77937684      10.10256394       9.45617160      -0.62088234       0.03514552       0.69059841
Li      11.55679222       8.78295036       7.74664562      -1.18654911       0.05284017      -0.18283449
Li       0.42784230      10.89902077       0.38088703      -0.00024728       0.33196802       0.07480841
Li       4.27916192      11.97734894       2.56246187       0.84756052       0.40371685      -0.48037677
Cl      11.33039234       9.68719298      10.12861363      -1.61880444      -0.07989723      -0.79528106
Cl       9.05256935       8.11357141       6.63219181       0.14244770      -0.10179499       1.94604153
Cl      10.14379473       3.32466046      11.11733302       0.24615567      -0.17214541       0.18117430
Cl      11.95777473       1.56781782       9.24274954       0.34846804      -0.24884328      -0.46415555
Cl      11.45875994       5.20369079       1.55185752       1.37130925       2.19133861      -0.42583316
Cl       9.13607882       6.90858183       3.87069634       0.33840034      -0.40618259       0.07124135
Cl      10.26020554       2.90738179       2.06849849      -1.45000719      -2.96633260      -1.54843806
Cl       9.91022077       3.63115743       4.72901950      -0.00297172       0.29573954       1.86029229
Cl      11.94581793       8.52372975       5.48052416      -0.76975637      -0.11800339       0.18149996
Cl       3.47882250       0.84921181       2.68948601      -0.62897649      -0.89272620       0.30354466
Cl       5.22839702      12.25579446      10.00576765      -0.52740039       0.84026493      -0.12679985
Cl       1.02879077       3.42915478       2.90321706      -1.07535801       0.34379210       0.74431463
Cl       3.47232015       3.26940395       5.52652423       0.10174831      -0.13859705       0.32347776
Cl       2.25987437       6.67537061       6.24283023      -0.35922187      -0.09283599      -0.37859527
Cl      13.41687828       2.10702893       5.28667632      -0.50052345      -0.50059651       0.24028653
Cl       3.83555143       3.46675823       0.06045570       0.12813351       0.23785550      -0.34340184
Cl       2.38050364       4.58780842       9.15561273      -1.06947676       0.70491843      -0.00231426
Cl       0.26677891       9.46526682       3.22881803       0.77054209       0.59703622      -0.45226161
Cl       0.12220623       8.42047141       8.23335431       1.35414173      -0.25201227       0.92597348
Cl       6.84116701       0.88591380       3.12355793      -0.74240004      -0.02726384       0.35502543
Cl       6.21356967       1.76909500       7.62574765      -0.37363894      -0.41708091      -0.55749512
Cl       8.44883186       3.65965221       7.90941923       0.65475001       0.80007318      -0.11153365
Cl       8.14953584       5.74733531      11.24391382      -0.91249727       0.40054440      -0.44478369
Cl       4.63794635       3.08556489      10.28724939       1.43032598      -0.99252802       0.00458012
Cl       6.34001613      10.45481915       1.30978886      -0.66303544       0.30335646       0.62592402
Cl       7.85237592       7.22387846       0.91605701      -0.04009922      -0.99969865      -1.15876555
Cl      13.27593737      11.65812941      11.47826698       1.42874339      -0.89043134       1.48154663
Cl       8.13736409       9.76982920       4.31253347      -1.02151798       1.64976508      -0.63786012
Cl       7.44948570      10.77273553       8.38732826       0.79757392       0.33882858      -1.10455000
Cl       6.14107657       9.56563672      11.56226010       0.12505083      -0.91648879      -0.57330126
Cl       5.13302479      13.31481711      13.31458872      -0.20092005       0.38105912      -0.18748519
Cl      12.82591858       9.17178799      13.29939419      -0.14828994      -0.85929643      -0.67329310
64
Lattice="12.848 0.0 0.0 0.0 12.848 0.0 0.0 0.0 12.848" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.95330376 stress="-0.0030223268191132005 0.001125829915742583 0.003376266985657915 0.001125829915742583 -0.0036763842035461066 -0.0002755749486467603 0.003376266985657915 -0.0002755749486467603 -0.0039261798907407955" free_energy=-220.95330376 pbc="T T T" config_type=density 
Li       6.53743499       3.85894819       7.63597754      -0.01423774      -0.39597352       0.24817024
Li      10.50207083       2.97907861      10.13490069      -0.45747353      -0.75547103      -0.28398894
Li       7.59044422       2.07374429       4.35204158      -0.03060621      -0.44895847       0.24417913
Li       4.30240976       1.26755413       6.97697792       0.48494125       0.50168198       0.37262438
Li       9.48184970       5.94963899       6.56370915      -0.25686781       0.13113557      -0.72959867
Li       8.07539198       0.56774798       8.04049682      -0.05722897       0.34468861      -0.09450221
Li       4.82852251       0.92507913      11.35574334      -0.39905928       0.16336572       0.15868918
Li      12.63636774       2.46679030       7.06508950      -0.36558833       0.59407537       1.41501130
Li       6.05765213       6.41352888      10.84642293       1.38860921       1.83290827       2.24595402
Li      12.48555792       5.95181030       0.64914135      -0.29586328       1.15739979      -0.68574546
Li       7.36086331      11.88297387       2.36789925       0.21594673      -1.77089455      -0.36064449
Li       6.63618472       8.42236507       2.32904690       0.52171137       0.42092242       0.29447090
Li      11.78809139       3.22722488       3.78116640       0.30018957       0.20654370       0.06655024
Li       9.59988427       1.67905373       0.77701749       0.24276786       0.83283989       0.78665384
Li       7.13901690      10.39729539       5.62558674       0.97728234      -0.74609440      -0.89838241
Li       8.38820224      10.43876874       8.95911597       0.10125550      -0.70737780      -0.57917877
Li       5.24434803      10.65516760       8.74795909       0.27517918       0.18043197       0.00666497
Li      11.68687485      12.57531405      11.01947264       0.47661131      -0.97494980      -0.44925819
Li       8.33927706       4.67984546       3.01608085       0.40553612       0.93501618       0.72414476
Li       5.37173595       9.58072790      12.20276059       0.22362285       0.15150105      -0.55714244
Li       3.73633973       3.81879819       9.92032624      -0.00550428      -0.01935684      -0.05947652
Li      10.23980461       8.62599302       4.19203259       0.21949088      -0.00582606       0.24273890
Li       0.44818449       8.98864067      10.31794614      -0.37326972      -0.35192744       0.29664678
Li       0.74044052       9.93161963       4.97912677      -0.22986622      -0.21911342      -0.21267427
Li       1.93262186       3.05418802       0.88861650       0.17951239       0.19185940       0.10986114
Li       4.20459794      11.83194162       2.60252942       0.59995235       0.29073360      -0.49404741
Li       0.00654439       9.17004158       1.13802702      -0.05275110      -0.03419104      -0.87062162
Li       0.61777424       6.46083522       4.12485040       0.43240693      -0.42031066       0.62636742
Li       5.48857566       2.18917072       1.72276262      -0.55757648      -0.63743603       0.13805509
Li       2.27631870       3.19779011       4.62375109      -0.32731698      -0.01450167       0.64224333
Li      11.77381726      10.29598891       7.58281251      -0.61802939      -0.49890778      -0.68985890
Li       1.94692168       5.47166770       7.68879566      -0.33333008       0.23369145      -0.39457606
Cl       5.42248555      11.77048963      10.64202410       0.04320196      -0.75692236       0.13601039
Cl      12.59529269       7.54809722      11.98927822      -0.08030133      -0.20289201       0.27981145
Cl       8.73160358       6.95852819       3.79012146      -0.19002106      -1.46278587      -0.04009611
Cl       6.36749450       7.64192616       0.29974384       0.01139631      -1.10770956      -1.21104688
Cl      10.50821218       1.24746371      11.87911947       0.14188164       0.58526902      -0.59142241
Cl      10.07554293       3.69356874       2.13887080      -0.60394240      -0.63002236      -0.06386770
Cl      11.94147082       8.84685014       5.86617838       0.15718281       0.23086163       0.09351909
Cl      12.69134434       7.91134872       2.85748514      -1.46075721       0.65252258      -1.29405511
Cl      11.21449243       1.40279603       8.66154344       0.91411795       0.19905067      -0.31624874
Cl       9.25050861       9.56908762       6.80277189      -0.68901424      -0.20660438       0.44987930
Cl       3.39647158       3.14255656       2.70695797       0.37544400       0.05768593      -0.09682462
Cl       5.50786051      10.36994200       1.33056458      -0.05305696       0.27591092       1.14525041
Cl       6.95476373      11.61630078       7.27252046      -0.75505101       1.51240560       0.99473870
Cl       0.06671915       4.67091610       2.12635685       1.31281861      -1.35865321       0.84213936
Cl       2.95541259       3.05262056       7.02395021      -0.35346307       0.45341856       0.21175674
Cl       0.48077088       4.61793094       5.65625491      -0.35390796       0.94115858       0.05200270
Cl       0.29732970       1.61988869       5.35902928       0.16090727      -1.53465848      -2.22893982
Cl       2.85634166       2.87282565      11.67740587      -0.69901727       0.21070100       0.56227970
Cl       1.96497312       8.25755093       4.84062533       2.06285044      -0.25270912       0.41401399
Cl       0.29666417      10.81968624      12.46276557       0.03560143       0.46902084      -0.29578669
Cl       0.69770936       7.22341541       8.64594597       0.35809424      -0.03120611       0.05136902
Cl       8.01040680       0.92469240       1.84991928      -0.04629832       1.36016906      -0.23886872
Cl       6.09182781       2.30106395       5.99058557      -0.92893084      -0.66225553       0.02925309
Cl       8.36900733       4.03315422       5.69748414       1.03138883       0.84060938      -0.55538666
Cl       5.04651453       2.16723918       9.50620950       0.55694077      -0.72856999      -0.73212125
Cl       5.15970541       5.52101686       9.47068478      -1.30149354      -1.20362748      -2.29550609
Cl       8.29162382       2.64495352       8.68676406       0.19720861       0.70703495       0.68555631
Cl       8.43424947       9.85239886       3.62169702      -0.90366815       1.47076298      -0.69832536
Cl       4.35747629       0.46561152       0.75654292      -0.09443426       0.34475609       0.09059693
Cl       6.09728821      12.72292472       3.73977014      -1.59373152       0.02785997       1.71692451
Cl       6.42978160       8.87299582       8.89592950       0.15547714      -0.66444493       0.60960236
Cl      10.94422190      10.76725355       9.45084747      -0.07786930       0.29635919       1.03446282
64
Lattice="12.897 0.0 0.0 0.0 12.897 0.0 0.0 0.0 12.897" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.38646528 stress="-0.004067086915015856 0.0028759205072529793 0.0009449583212892181 0.0028759205072529793 -0.0025766926607246623 -0.002430311651942437 0.0009449583212892181 -0.002430311651942437 -0.010143107176214763" free_energy=-221.38646528 pbc="T T T" config_type=density 
Li       7.18044344       9.98171053       6.08396630       0.14331500       0.21719389      -0.03240349
Li      11.84194802       3.26463051       3.82058149      -0.62925428      -0.26770432       0.38356702
Li       9.86363850       8.75542508       4.03975310       0.19420025      -0.48981693       0.64462652
Li       7.69070035       1.81473687       4.69248317       0.84020901       1.22380152       1.06083473
Li       7.71982177       1.24877266       7.93974142      -0.47218351      -0.35354516       0.11337306
Li      10.18389680       2.97342914       9.74502479       0.97536657      -0.47575852       0.16746667
Li       8.15877117      12.40969975       2.09707799      -0.27863581      -0.16915601       0.39054651
Li       5.14086027       2.32044114       1.47466877       0.38156848      -0.37099412      -0.35241783
Li       6.85037052       8.42372714       2.28026698       0.10347547       0.53378613       0.76241703
Li      12.69817985       2.23216117       6.82611126      -0.53395697       1.15325595       3.07980762
Li       6.31646051       6.74878085      11.19634999       0.33447414       0.46521481      -0.27157985
Li       5.46736072      10.18358727      12.34604016       0.20170605      -0.20478910       0.21839755
Li       8.73310037       5.54670307       3.18742906       0.07454117      -0.39717664       0.44157600
Li       4.93330885      10.34049217       8.90263144       1.09894888      -0.53802270      -0.78448120
Li      10.93684945       2.38137946       0.79721774      -0.43778919       0.25471542       0.32494912
Li       9.05329419       5.25074271       6.85200844      -0.18412685       0.06485338      -0.42743062
Li       0.87518010       9.24462119       4.29693218       0.69458771      -0.39515643       0.35519689
Li       6.28224477       3.94199384       7.70208840      -0.42626808       0.01298598       0.24585037
Li      12.47366887       5.72606165       0.82800546      -0.36178871      -0.29074773       0.58815679
Li       2.09752939       2.93005653       0.70306577      -0.32570233      -0.15955480       1.11922723
Li       0.50969718       9.15975893       0.88269260      -0.40139440      -0.16345476      -0.69012170
Li       4.08006913      12.36008499       2.31525654       0.68573098      -0.05872208       0.07054207
Li       4.03138295       0.76794542      11.26491044       0.12940939      -0.20616545      -0.71512471
Li      12.51989172       8.83659880      10.71360238      -0.29757186       0.19497434       0.31058207
Li       9.06897694       9.95730941       9.24018462      -1.87176802      -0.56581721      -0.35871985
Li       3.87440067       4.01932426       9.96213289       0.57575650      -0.36316999      -0.24845450
Li       0.63515919       6.10645866       4.45686788       0.05980422       0.06856493      -0.10352887
Li       3.82183250       1.69129968       7.38982624      -0.28633509       0.37223381      -0.57121291
Li      11.39399652       9.55033168       7.49173833      -0.52904224       0.27734695      -0.89129310
Li       1.71567501       5.88276020       7.41974728       0.10515729      -0.42240136       0.38150520
Li       2.58288219       3.28485300       4.70117575      -0.38581009       0.13709193      -0.03255378
Li      12.02342171      12.29835995      10.82062169      -0.54522104       0.56859590      -0.90919098
Cl      12.65236970      10.63472433      11.97335555       0.84595099      -0.04537841       1.57016047
Cl       9.35091826       1.32004664       1.82460307       0.42091620      -0.61004616      -0.01441513
Cl       9.10226410       9.67808936       6.93698677       0.42903831      -0.37253480       0.05900770
Cl       9.06176752       3.96456359       4.92545458       0.34833527      -1.29243748       0.18923490
Cl      11.03397676       2.49068154      11.60116103       0.55360771      -0.01659621       0.71778447
Cl      11.60064515       1.34538925       8.80044851       0.32481100      -0.03125342      -0.73523297
Cl      10.92401694      10.66810177       9.35833404       0.49907961       1.92951438       0.91454494
Cl      11.82358269       8.91262661       4.83993457      -0.82812046       0.21928264       0.40517687
Cl      12.88054343       1.52490259       5.11963181       0.22416327      -1.77007219      -3.28308042
Cl       8.62067723       3.51514184       8.54898280      -0.86209521       0.02019832      -1.29833242
Cl       3.45121141       2.29485349       2.75273568      -0.71465650       0.33632643       1.01110783
Cl       4.55244754      11.28322418      10.62904965      -0.73209909       0.55985241       1.44722614
Cl       0.61531071       4.19538120       2.80619374       0.51835579       0.46394923      -1.17112799
Cl       3.73773116       0.35440569       0.37742297      -0.05391693      -1.26309568       1.04777231
Cl       3.38417280       4.21119293       7.41123526       0.86634454      -0.01802447       0.72645320
Cl       0.84909979       4.35553615       6.01409035      -1.20232854      -0.23987498      -0.11000909
Cl       3.59270439       3.02314708      12.17409736       0.43460634       1.49927836      -0.88760705
Cl       1.08057901       7.85731669       2.58762829       0.29676552      -0.08151984      -0.53355343
Cl       1.48670168       7.41592976       6.05505122       0.69299780       1.33526893      -0.72658661
Cl       6.63643508       0.97012911       3.26679720      -1.62002039      -1.13417716      -1.59885105
Cl      10.23895409       4.40426102       1.81763870       0.51886348       0.81495744      -0.08086415
Cl       5.70158314       2.03546902       6.31702798       1.15835140       0.24714845      -0.30618214
Cl       4.47194447       1.62152691       9.30812602       0.26476274       0.11918646       0.92554113
Cl       5.73977116      10.31984408       1.87632005      -1.10448751       1.01752715      -0.50239097
Cl       8.21733645       9.90830081       3.67551603      -0.65266573       0.72752359      -0.39471600
Cl       6.82219057       7.58571877       0.37830125       0.00607957      -0.63295823      -0.70868238
Cl      12.33467790       7.18050793      12.14053936       0.19874013      -0.14697767       0.44429273
Cl       6.63239832      11.82893495       8.04487776       0.14823660       0.16014854      -0.66638575
Cl       7.92024115       6.73242745       5.17996398      -0.02016622       0.57954328      -0.32716757
Cl       6.73216951       8.70663573       9.65042529      -0.14621955      -0.08194507       0.26344356
Cl       6.21814668       4.97870629       9.86683695      -0.89946205      -0.08915818       0.06736263
Cl      12.63151526       8.44419468       8.71487691       1.45482925      -1.85611729      -0.71403282
64
Lattice="12.9607 0.0 0.0 0.0 12.9607 0.0 0.0 0.0 12.9607" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.73869307 stress="0.0006843898143092915 -0.002002194251466636 0.003182860481045911 -0.002002194251466636 -0.002153138976823597 0.0013049465289014408 0.003182860481045911 0.0013049465289014408 -0.007238111060570532" free_energy=-218.73869307 pbc="T T T" config_type=density 
Li       5.56965345       3.72104289       8.32705534      -0.47877290       0.23983363       0.18854168
Li       9.89027129       2.55266171       9.23534120       0.85409056       0.03952571      -0.19717049
Li       7.71681374       2.22949961       5.78559168      -0.02721860       0.37086155      -0.02693374
Li       7.59809373       0.10684931       8.58006116       0.01969819       1.01342250       0.13882544
Li       8.48767729      12.88824969       2.69511276       0.18991447       0.17666703      -0.17458113
Li       6.68129269       8.88414511       2.12997440       0.01357373       0.00295173      -0.01890418
Li       8.81133189       5.39270102       6.44415076       0.26824372       0.94835784      -0.80906044
Li       4.55734502      12.62744152       2.59961832      -0.53554031       1.35510160      -0.27238865
Li      11.62502210       2.58269165       0.39482699      -0.68932993       0.11957262       0.34125682
Li      11.59307398       8.94920782      10.99133460       0.08439563       0.62865025      -0.88987314
Li       7.32879630      10.62194168       5.97372920      -0.23858852      -0.57109533       1.44611812
Li       9.47949486       5.81730651       2.67603461      -0.04378829      -0.03469860       0.84262371
Li       6.97222153       6.68283502      11.04872458      -1.01730161       0.76706198      -0.25930890
Li       5.67117462      10.82548948      12.57568945      -0.41161682       0.01770651       0.21686009
Li      12.50712734       6.28091075       1.27537306       0.69539273      -0.05568392       0.14799364
Li       8.86294140       9.23658542       8.85916984      -0.31776917       0.31238680       0.36197378
Li       4.83454847      10.08412448       8.95173516       0.49259540      -0.26449949       0.00410411
Li      12.72029198       2.04767395       6.88786033      -0.07472242       0.29405242       0.46835700
Li       5.98955421       2.45286432       0.74990869      -0.57514238      -0.29511348       0.19229080
Li      11.84501702       2.14093915       3.83571916      -0.02959181       0.24464249      -0.17617703
Li       0.43160945       5.92441373       4.47605551       0.23492451      -0.12286306       0.18820314
Li       2.31309613       2.80303651       0.75362971       0.24096590      -0.03056713       1.43866819
Li       0.43729402       9.41055690       4.29504637      -0.20984506      -0.57967438       0.81150870
Li       0.79288378       9.45378083       0.29748435       0.17540642      -0.36144706       0.33846536
Li       2.28796533       2.74254892       4.37791709      -0.58611213       0.57789505       0.16047144
Li      11.53376581      12.40740772      11.33769634      -0.24628113       0.41822962      -0.77854419
Li      11.82538156       9.41886471       7.51773739      -0.47204638      -0.19406259      -0.00379537
Li       4.15517450       0.63834169      11.22108892      -0.04308047       0.08784447      -0.17707018
Li       2.30537155       6.32283861       7.44103597      -0.08914510      -0.32603934      -0.07595172
Li       3.13371581       4.15990515      10.85545462       0.75332298       0.12115104      -0.55930489
Li       3.77477795       1.61714542       7.29360800       0.08591762       0.43641049       0.38141642
Li       9.76303610       9.51704201       4.45472220      -0.09376429      -0.52282439       0.25348677
Cl      12.86998806      10.95920502      12.08243113       0.20283942       0.53352880       0.10087412
Cl      10.86157207      10.63175293       9.57999213      -0.78392119      -0.03807476      -0.19234130
Cl      10.97269711       2.37998630      11.14739438      -0.09291337       0.10026212       1.37582671
Cl      11.89210325       1.05543128       8.61594934      -0.49168880      -0.20123323      -0.27895703
Cl      12.26149616       7.51324003       8.35388399       0.11275989      -0.32133500       0.81272353
Cl       8.76803020       3.88153524       7.81837379      -0.30946992      -0.91172758       1.58302238
Cl       8.70852762       3.91563484       4.73635821       0.05699884       0.30564695      -1.00741000
Cl       9.22521889       8.80367212       6.81719859      -0.49041945       0.41550008      -0.23628830
Cl      11.42279630       7.96398725       4.91452895       0.78286066       0.17945813      -0.81682091
Cl      10.26264516       1.46015246       1.93726175       0.00722994      -0.70504514       0.19316064
Cl       3.57611634       1.89839261       3.02742511       0.72326198      -0.71801671      -0.17775807
Cl       8.33249883       7.97955305       3.51439749      -0.11411031      -1.01698911      -0.75431074
Cl       4.88046823      11.67930151      10.38981555      -0.38258716      -0.33508422       1.20839053
Cl       1.72057181       4.60452197       2.47156661       0.67667849       0.38360691      -0.61930418
Cl       3.30408421       3.95315607       7.40389060      -0.25355645       0.13131835      -0.59116129
Cl       0.45322790       3.45381918       5.32936208      -0.34941985       4.51935347       0.55264031
Cl       0.25544632       0.96796599       5.17857729       0.00639922      -4.53749626      -0.99106335
Cl       4.09324827       3.22046178      12.61927628       0.31272963       0.77589374      -0.26019703
Cl       4.62405374       1.97714182       9.51123562      -0.81115681       0.03601228       1.21616885
Cl       1.00783440       8.83812166       2.39452821       0.20713362      -0.28462263      -0.61967116
Cl       3.95228770       0.17263652       0.30870054      -0.85907706      -0.64236847       0.04630722
Cl       1.62556988       7.74023373       5.86476859       0.41600001      -0.01338512      -0.24012535
Cl       6.60924416       0.58585863       1.72468035       1.11903775       0.86147016       0.11203239
Cl       6.09007740       1.62231674       7.17878916       1.24215352      -0.05464252      -1.39131769
Cl       4.64250978       5.62671942       9.92915339       0.45725967       0.05651936       0.14187603
Cl       5.46197596      10.83546922       2.23376368       0.16928288      -2.15920408      -0.30683734
Cl       8.10658087      11.13032514       4.18638386       0.89519410       1.03276985      -0.91217171
Cl       6.60771480       8.23722473      12.83055383       0.18953704      -0.02363774       0.05043905
Cl       6.53437020      11.48796270       8.02904996       0.19145069      -1.15231682      -1.78335929
Cl       6.57331710       8.63685495       9.36292633       0.50954054      -0.80986473       0.26636266
Cl      11.80206526       4.16602260       2.44424545      -1.43217021       1.16161198      -0.83440954
Cl      12.56079760       7.69540266      12.32265770       0.16335814      -1.38166463       0.85157873
64
Lattice="12.9814 0.0 0.0 0.0 12.9814 0.0 0.0 0.0 12.9814" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.50632698 stress="-0.0006875735207332768 0.001194342306058945 0.0016349762604150465 0.001194342306058945 -0.002296180566012164 -0.0004618208507065491 0.0016349762604150465 -0.0004618208507065491 -0.012624143703894947" free_energy=-218.50632698 pbc="T T T" config_type=density 
Li      11.68596013       2.40802374       3.71913216      -0.08868302      -0.09705791      -0.01660575
Li       8.76365227       8.92567312       8.84260515      -0.30468065       0.12592566      -0.62170083
Li       6.77055302       8.74115550       2.17836979       0.34890874      -0.17069869      -0.17670975
Li      12.89525543       2.14639660       6.81153530      -0.32888660      -0.40630984       0.18791274
Li       8.97267877       5.76391036       6.28625593       0.10582454      -0.42147025      -0.88021450
Li       7.06168688       0.32973924       8.84751211      -0.60723019      -0.78002858       0.05667643
Li       9.74512400       5.87808177       2.72260200      -0.21052667      -0.05623398       0.38367160
Li       9.95807088       2.48727518       9.30288664       0.71810636      -0.02520719      -0.03129948
Li       6.53483676       6.66074336      10.98119993      -0.33651347       0.63650521       0.53278894
Li       7.85146227       2.27887179       5.89044006      -0.24548197       0.15910122      -0.40624304
Li      11.61715871       2.63766470       0.44580724      -0.56757543       0.31775392       0.34022686
Li       5.77240019       3.82451516       8.67450900      -0.37557133       0.38857894      -0.34123826
Li       8.62884043       0.04062153       2.74857778       0.40042920      -0.04280716      -0.04206563
Li       5.66904229      10.53441908      12.64031371      -0.08327594       0.02213806      -0.18428549
Li       5.87318778       2.23886311       0.84777499      -0.59712583      -0.23513676       0.02938742
Li       4.42981188      12.88407844       2.17705867       0.26515177      -0.28901485      -0.19307778
Li      11.69694240       9.55334978       7.71497583      -0.33492466      -0.51232980       0.28541210
Li      10.06290867       9.39209483       4.38716798      -0.19980231      -0.48388825      -0.09245671
Li       2.44933055       2.98389162       1.03900529       0.66028872       0.12841400      -1.17173763
Li      11.80481783       8.96891417      10.88123016      -0.40696716      -0.10998178       1.07365757
Li      11.79649675      12.46925781      11.16107020      -0.46639567       1.27557407      -0.87931653
Li       2.12967656       6.20230522       7.47745516       0.37429151      -0.47661413       0.20805736
Li       0.84899654       9.34749074       4.62729792      -0.37319357      -0.91152841      -0.83022249
Li       0.39009626       5.74107608       4.61322608      -0.24863303       0.44339575      -0.36688324
Li       4.96117953       9.75878043       9.01167490       0.32143047       0.02056197       0.65717552
Li       2.22899725       2.78457521       4.34914546       0.22016658      -0.01448223      -0.54775376
Li       2.91758263       4.56128750      10.90116959       0.89795350      -0.08211201       0.11526939
Li       4.28134361       0.93457772      11.00737043       0.02397511      -0.26756923      -0.41363388
Li      12.88777814       6.02812079       1.13716545       0.56052641       0.78872714       0.07962217
Li       0.80081737       9.48379544       0.07686936       0.15248349      -0.65555062       0.73154618
Li       3.68953456       1.26628494       7.52177366       0.13637674       0.33303575       0.06641218
Li       6.98895209      10.77249796       5.90657594       0.58319576      -0.05231760      -0.19637723
Cl      10.18035140       1.87543584       2.01557005      -0.04531677      -0.90180367       0.26110303
Cl      11.43587346       4.76769176       2.08799328      -0.00448763      -0.34747184      -0.44100205
Cl       3.37407356       1.90661716       2.48880699       1.00367826      -1.38930962       2.08421471
Cl      12.90205768       0.70373338       5.08091996      -0.05889788      -1.30119350      -0.04248626
Cl      10.82905792       2.21478262      11.38847837      -0.46445692       0.09928032       0.92552160
Cl       9.42929952       9.85470000       6.55977403       0.06095582      -0.67138345       0.67902572
Cl      11.80010558       7.68118525       4.43652326      -1.03391652       0.04370220       0.62177475
Cl      10.40402092       9.98132057       9.52499840      -0.36944062       1.54246114       0.67824846
Cl      12.36992413      10.71827465      11.99983740       0.44612758       0.45660809       0.82812171
Cl       8.90855066       3.99657064       4.62357226      -0.02283219       0.13002403       0.05078152
Cl      12.04093651       1.25546365       8.93461731       0.33430670      -0.17231355      -1.20421658
Cl       8.41368671      11.10571751       4.05028767      -0.15902502       0.54576438      -0.60385864
Cl       4.81647586      11.71492163      10.50349739       0.18336792      -0.55855058       0.18404120
Cl       1.52687227       4.09311331       2.49893248      -0.64971143       1.87190851      -0.67033056
Cl       4.20039160       0.46113568      12.96931003      -0.32989174      -0.51503652       0.67967681
Cl       3.44432890       4.17797272       7.22038449      -0.48954198       0.30005351      -0.66509926
Cl       0.26862800       3.51302647       5.01284550      -0.63086461       1.52108745       1.57453801
Cl       0.53538150       8.66921259       2.24739189       0.88158459       0.80480365       0.05219917
Cl       1.36000935       7.40202024       5.90340848       0.94302492       0.36810342       0.31574648
Cl       0.10976475       7.42340061      12.32843558       0.11825054      -0.74127558       0.08022402
Cl       6.64273816       0.51771511       2.06510707       0.39671308       0.89739221       0.19787582
Cl       5.89743704       1.18851597       7.24419238       1.21236554       0.78354532      -1.66177485
Cl       8.51438343       3.40347643       7.67333150      -0.00263167       0.31397469       1.38493409
Cl       4.62805084       5.84519989      10.09005278       0.10240909      -0.02494217      -0.48057336
Cl       4.45859164       3.61117883      12.57386193      -0.47279451       0.51065181       0.06073636
Cl       4.35163789       2.32730539       9.37672485      -0.80040452      -0.12429061       1.43091097
Cl       5.57936678      10.58786351       1.90303430      -0.78246034       0.05439061       0.48560153
Cl       8.61741680       7.44579352       3.66964706      -0.95214771       0.51802653       0.06228018
Cl       5.69723789      11.25933940       7.66578931       0.38306337      -0.56868429      -1.14524546
Cl       6.87527398       8.59371276       9.84519761      -0.14929591      -0.15783419      -1.05020716
Cl       6.63755858       8.38233663      12.79984214       0.11179466      -0.61929340       0.57921767
Cl      12.54908044       7.93280373       9.36578153       1.24683448      -1.21776738      -2.60797409
64
Lattice="13.7689 0.0 0.0 0.0 13.7689 0.0 0.0 0.0 13.7689" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.7730801 stress="0.0014618974085581664 0.0011054592215405269 0.00031301330545541813 0.0011054592215405269 -0.002358920939760601 -0.00019424480794421041 0.00031301330545541813 -0.00019424480794421041 -0.0033650080272098802" free_energy=-219.7730801 pbc="T T T" config_type=density 
Li      12.26657532       2.59839796       4.00049882      -0.14864969       0.59524813      -0.07734994
Li       7.06423053      10.60549523       5.62222740       1.18345899      -0.82320715      -2.01685848
Li      10.95555574       6.75969000       5.13411989      -0.33901957      -0.12000008      -0.99446695
Li       4.57653452       4.50245784      11.80917246      -0.05806785       0.56517409       0.60912683
Li       7.98035806       9.27738844       8.50861568       0.30594532       0.37649093       0.40780356
Li       8.15140910       3.50578224      11.65033443       0.13411935       0.50679691      -0.38267014
Li      13.31324579       1.09499518       7.53551244       0.06196469       0.10055604      -0.03488088
Li      10.83991075       1.66176854      10.13174868      -0.10462791       0.09526962       0.16222064
Li       5.98740617       1.95373807       8.56623852       0.48637879       1.94137365       0.32955790
Li      11.34108494       2.56089148       0.51580915      -0.44158743       0.09516140       0.26493388
Li       8.82634681       4.38989708       7.56573517      -0.19917927      -0.09081008      -0.21940112
Li       8.50184138       2.15932151       4.24773319       1.03586436       0.60429649       0.18868394
Li      10.43991043       9.87205346       4.25909253      -1.28490551      -0.25955621      -0.28893371
Li       5.78105166       2.51382938       1.74173831      -0.30288720      -0.11205619       0.10048117
Li       0.76328999       9.27886171       4.03481092      -0.38222091      -0.85959547       0.74812227
Li       0.18908968      10.05856698       0.08475391       0.22795200      -0.72747924       0.28237142
Li       4.45945756      13.09010700       1.69028393       0.81604487      -1.06348646      -0.80977493
Li       0.38718147       6.43811734       1.79211872      -0.43569045       0.62528860       0.55799006
Li       8.26548444       7.53677918      12.01200213       0.05684637       0.31810201      -0.53222600
Li       4.32686306       0.92951779      11.30697937       0.33603181       0.30240351       0.09658862
Li      11.23361867       8.88011437       7.54537097      -0.31327508       0.13721728       0.57494783
Li       0.89337580       6.49872804       8.68298502       0.43903690      -0.38947517      -0.04099462
Li       4.58906422       5.17126839       8.72043643      -0.68578470      -0.35710699       0.09280460
Li       6.26523503      10.36436048      12.76103029       0.20322990      -0.22836489       0.39926419
Li       1.10695760       4.74936175       5.48429056      -0.07269480       0.08683191      -0.48616750
Li       9.72546975       5.44537965       2.43640685       0.50880286      -0.14338630       0.40899878
Li      13.17223849      12.83170605      10.89477981       0.05379540      -0.38157419       0.39460947
Li       2.14935283       1.11926424       4.00088435      -0.41189853       0.66656045       0.02729069
Li       5.22566931      12.06487470       8.97477555       0.35997165      -2.41221830       0.53437595
Li       2.53174272       3.47126361       1.49217700      -0.54512189      -0.43119075       0.63886206
Li       7.76933590       9.70667520       1.81037628      -0.33980047      -0.08334248      -0.12458889
Li      12.94799818       8.33136863      11.04667832      -0.45547847       0.16405738       0.15373380
Cl       3.69829900       1.13279494       2.44557694      -0.93253181       0.49187993       0.53103611
Cl       0.10918738       2.05940060       5.75377547       0.07655555      -0.39066792       0.35451523
Cl      12.50933480       0.37268970       9.36031852      -0.11792881       0.00411300      -0.05254752
Cl      10.45140747       2.48436393      12.17622380       0.17597120      -0.17832157       1.33542950
Cl      12.09552428       5.41371118       2.83420414       0.12750510       0.40183626      -0.45364626
Cl      12.66778730       7.55345331       9.03473911       1.02342459      -0.40314820      -0.76346642
Cl      12.12664199       9.51951454       5.40799708       1.83091456      -0.39975698       0.07568863
Cl       9.94047112       8.57142940       9.78674136      -0.55312299      -0.03463192       0.16290519
Cl      12.91917987      11.34158062      12.39125271      -0.00309269       0.22684779      -0.10544787
Cl       9.79628320       4.59502615       5.11818928      -0.25915691      -0.01860568       1.20625641
Cl       9.58651401       3.25737752       9.43154504      -0.47105358       0.37434745      -0.86930091
Cl       8.25203222      10.30591150       3.83350960      -0.05114006       0.99428990      -0.62990457
Cl       7.46833397       8.50051956       0.01225432       0.09739334       0.05903207       0.04344453
Cl       0.51220859       3.25306785       3.13082756       1.41811509      -0.28143689      -1.22956465
Cl       1.38151635       6.79525507       4.59541168      -0.61242013       0.49640493      -0.92889785
Cl       4.30492920       3.72816375       0.40990566       0.57643950       0.29202113      -0.40627702
Cl       2.36458827       5.46476626       7.09434311       0.44689600      -0.29133975       1.35484596
Cl       2.69647384       5.02319764      10.63474037      -0.12697257       0.66868406      -0.23798426
Cl       4.67098917      13.56704242      13.16776359      -0.22522559       0.25316383      -0.55998731
Cl       1.23446725       8.98214191       2.02035200      -0.05713917       0.49694567      -0.65469126
Cl       6.62805931       1.69142675       3.67597962      -0.68334389      -0.09446973      -0.30424452
Cl       6.46854661       3.98357684       8.04224926       0.67777584       1.03179243      -1.11425479
Cl       5.46308645       0.11620291       8.43752684      -0.82314229       0.27030985      -0.30556659
Cl       7.07948647       5.60713668      12.17696732       0.05932966      -1.04164770      -0.31382240
Cl       5.02589634       2.93798034      10.41372199       0.17610301      -1.29911076       0.55085313
Cl       5.88212916      11.11477930       1.19176989      -0.28842032       0.32011301       0.29646016
Cl       9.35259417       7.45821383       3.02808403       0.24720385       0.28906658       0.33729599
Cl       6.37522100      11.15293292       7.28841576      -1.15415282       0.14353376       2.12678553
Cl       9.27226641       9.56777454       6.54741487      -0.14655617      -0.47636311       0.70858609
Cl       6.93562900       9.89537798      10.66945177      -0.54837006       0.28060995      -0.40488918
Cl      10.25577893       2.51476566       2.77801326       0.40909530      -0.55497410      -0.82407510
Cl      13.76403958       7.91466664      12.99105353       0.02249373      -0.32849577       0.11001152
64
Lattice="13.0639 0.0 0.0 0.0 13.0639 0.0 0.0 0.0 13.0639" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.72023561 stress="-0.002438048439409609 -3.0528856410086e-05 0.003565801613774241 -3.0528856410086e-05 -0.0011656476232111551 -0.0015507489360064442 0.003565801613774241 -0.0015507489360064442 -0.01234141087399395" free_energy=-221.72023561 pbc="T T T" config_type=density 
Li       6.28010414       3.56448511       9.15174531      -0.51912364       0.19314059      -0.04227631
Li       6.13714588       0.31321353       8.51395265      -0.45511488      -0.42790352       0.22054018
Li      12.05236222      12.03119871      10.59812807      -0.43046320      -0.06853128      -0.50430433
Li       7.08845908       9.07413268       2.29472629      -0.33562397       0.08928820       0.13329548
Li       7.62667869      10.71536351       6.09786273       0.68456385      -0.48217890      -0.43080808
Li       5.76396251       7.28092951      11.58999161       0.46034840       0.28028336      -0.24152716
Li       5.69546848      11.07273955      12.75799572      -0.24768299      -0.27960637       0.37783662
Li       5.04195995      10.25640257       8.86888575       0.10966302      -1.21314747       0.12915131
Li       8.78412717       9.52679682       9.08720965       0.19826166      -0.11897757      -0.30068569
Li      11.00436310       3.00352125       0.27069838       0.65293445       0.49432804      -0.61930210
Li      11.46559715       2.12298826       4.05600129       0.58871390       0.35101616      -0.04874283
Li      10.08267883       5.45002393       2.30400166      -0.30422123       0.28894930      -0.04482449
Li       8.81745318       0.84424409       2.18687073      -0.81455702       0.05159981      -0.24057524
Li      12.42874625       2.25840865       7.25171863       0.61598473       0.20333988      -0.82449214
Li       9.12288716       6.05321032       6.22220493       0.05002217       0.83258346       0.29459188
Li      10.30569267       2.53610797       9.56933288      -0.25629735      -0.18796398       0.02004838
Li       9.88951600       8.46258540       4.05585759      -0.43130259       0.04462571      -0.07355171
Li      11.83372479       8.98962232       7.18855468      -0.56389697      -0.17458480       0.26688061
Li       7.58649414       2.77758110       5.82088192       0.16491923       0.32029283       0.15015711
Li       5.84740164       2.16441389       0.68090353      -0.40149178      -0.17214430       0.23304609
Li      13.03996694       8.32385984      10.79002369      -0.51353479       0.56785815      -0.28760501
Li       1.09803386       6.24800613       1.47171365      -0.39110363       0.03975456       0.02342256
Li       2.99148940       4.98487071      11.56769153       0.62737193       0.03476660      -0.12273697
Li       3.89555047       0.38721661      10.96963925      -0.34795170       0.23836051       0.64944299
Li       2.11179250       6.48322165       7.95118597      -0.41653047       0.15523665      -0.10907032
Li       1.76200658       2.19176969       4.09225361      -1.25172023       0.44930117       0.75329022
Li       0.60347510       5.56622732       4.63223685       0.38994429       0.23948441       0.39216275
Li       0.61609483       9.61955051       0.75628354       0.02147739      -0.44142256      -0.41770148
Li       4.28408392      12.74951725       2.36751834       0.27985988      -0.37774242      -0.22899617
Li       3.79783250       2.42072761       7.18475308      -0.33958668       0.54038369       0.08343495
Li       2.53963522       3.06889300       1.38110244       0.08532190      -0.75538878       0.15220211
Li       0.81387836       9.28049005       4.39314136       0.05849660      -0.24272302       1.51250834
Cl      10.45910204       1.68040946      11.65114373      -0.30123764      -0.04784314       0.35531165
Cl       1.73577427       4.33205456       2.83485324      -0.35545154       1.16527340       0.24323053
Cl       9.34511716       8.90969738       6.73011630       0.05620764      -0.65567517       1.28923869
Cl       8.81469669       4.39706053       4.91797047       0.27735728      -0.24218563      -0.42882597
Cl       4.07500926       3.75681185       0.13000122       0.32525407       0.55635536      -0.59023539
Cl       2.69418116       4.45520794       7.31048006       0.48102296      -0.67109310       0.39730485
Cl      11.83415590       7.98881000       5.02660987      -0.00245624      -0.14631919       0.07799736
Cl       9.82874274       2.90241973       1.98908329      -0.62159692      -0.94540876       1.34193002
Cl      11.97883859       5.07724554       1.09148493      -0.04025346      -0.11097053      -0.12960589
Cl      10.99293219       9.89595651       9.45032075      -0.56064294       0.99756351       0.10317851
Cl       0.02780129       0.60206681       4.55871322      -0.60922023      -1.09770006      -0.47451509
Cl      12.13422062       1.19929084       9.00785952      -0.05224471      -0.34208925       0.14674964
Cl      13.05078398      10.45928494      11.75074290       0.55375502       0.53766240       0.83925924
Cl       4.97475925      11.84074011      10.17070339      -0.08862885      -0.00179086       1.40409139
Cl       0.79867590       7.37717127      12.48920598       0.94548343      -0.79574514       0.33770241
Cl       0.07408694       7.92036823       8.67830958       1.00385393      -0.97360279      -0.18947748
Cl       6.46234554       0.37595422       2.10787333       2.61882717       1.34615391       0.77319640
Cl       4.48836412       0.45491113       0.08232752      -0.83094186      -0.40120532      -1.39830074
Cl       8.29315968       3.24239466       8.12317221       1.36635699       0.34330861       0.90084368
Cl       5.97757034       1.90832226       6.97357514      -0.42377996      -0.30597786      -1.25910857
Cl       1.78029604       7.26223507       5.94302939       0.21211255       0.53514363      -0.96651791
Cl       5.15003759       5.43348503      10.33975025      -0.26511546      -0.08344908      -0.01997239
Cl       5.19497741      10.74521452       2.15238204      -0.54973756      -0.54046029      -0.02377343
Cl       7.93081935       9.59297854       4.35221216      -0.57897111       0.79974587      -1.26859277
Cl       0.69675396       8.33253427       2.63714417       0.33484288      -0.25934872      -1.68490181
Cl       6.28463731       8.44926022       0.31554413      -0.29425097      -0.07605368      -0.64138552
Cl       8.62379392       7.32426247       2.39976005       1.01941233      -0.93186378      -0.00952027
Cl       4.11407032       1.63784727       9.25156657      -0.26513111       0.72806016       0.42362622
Cl       6.44674724      11.22703728       7.67250685       0.35664886       0.99233130      -0.73149892
Cl       6.84015353       9.12772080      10.08985091      -0.35155955      -0.63078407       0.11322759
Cl       0.27416815       3.33377664       5.47069102      -1.07992250       1.15424034       0.50274594
Cl       3.21822645       1.48241299       2.91695985       0.75232724      -0.36855020      -0.28821355
64
Lattice="13.8081 0.0 0.0 0.0 13.8081 0.0 0.0 0.0 13.8081" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.24611136 stress="-0.002133452514300975 0.0016263507194974045 0.003191888649234246 0.0016263507194974045 0.001777625040226776 -0.0020571462454334675 0.003191888649234246 -0.0020571462454334675 -0.0027814313678942936" free_energy=-219.24611136 pbc="T T T" config_type=density 
Li      13.06036377       7.87110028      10.95023754       0.26967093      -0.11286813       1.39022533
Li       5.80876389       2.37754770       2.18919141      -0.55489368      -0.10193687       0.28245072
Li       8.85378134       1.71002272       4.21987963      -0.00353047       0.56894551      -0.00439186
Li       8.51957008       4.46715509       7.26960564       0.15189887      -0.05860535      -0.10895948
Li      11.01187690       1.47025887      10.41557410      -0.23424314       0.20654013      -1.06375951
Li       5.98615655       2.51422027       8.42589593       0.08346062      -0.20974045       0.62360024
Li       8.25245239       3.79517009      11.32643923      -0.49179179       0.07180445      -0.31579118
Li       7.93933991       7.20911235      11.62844999      -0.20328885       0.56846885       0.41884478
Li      13.32836518       1.28241762       7.17033921      -0.70954535      -0.45221669       1.52838027
Li       7.90678041       9.42728696       2.09249328       0.20818053      -0.11596957       0.37320944
Li      10.05856568       5.09152975       2.77999858       0.21453804       0.75667676       0.53377977
Li       7.48811882      10.72004271       5.64774764       0.86115214      -0.56303192      -0.97277319
Li       8.38454067       9.85445434       9.45976361       0.19242553       0.28442009      -1.02653613
Li       5.46305049      11.59098862       8.85636345      -0.34813824       0.64912009       0.83657687
Li      12.71046651       2.70450970       3.52850807       0.21150550       0.75793621       0.10444247
Li      10.73644673       2.03219331       0.43776924       0.18289801       0.02231574       0.77576478
Li       0.88912013       9.15097307       4.10864158      -0.76221629      -0.06382504      -0.32998187
Li      10.59672257      10.27713409       4.43512030       0.40197270      -1.00139955       0.36099028
Li       4.73025463      13.04782601       1.46711062      -0.67690202       0.56385998      -0.29844414
Li       2.33327893       3.46359619       1.03811781       0.04860495      -0.55214217       0.57262068
Li      13.08666820      12.88864624      10.85435410       0.28539924      -0.27877353       0.35843094
Li       2.09600054       1.64901853       3.98113758       0.02850483       0.31774330      -0.18532652
Li      11.07150028       7.08841575       4.92853894      -0.88648141      -0.92191631      -0.84600274
Li       0.66945811       6.23604174       2.16606284      -0.79722667       0.62758549       0.34257266
Li       0.96201309       5.30228278       5.44487903       0.33472978      -0.57809827       0.09612843
Li       0.05487380       9.91108136       0.20783124      -0.04763263      -0.33170373      -0.14673510
Li       4.52810404       5.44421624       8.84393616      -0.14203553      -0.02673931      -0.08739775
Li      11.24401868       8.63133285       8.04945951      -0.62869315       0.27329167      -0.65492587
Li       4.26591584       0.93986628      11.62508081       0.31534494       0.19884024      -0.43381579
Li       3.94672780       4.57633573      12.09521900       0.69123107       0.48387542      -0.31085119
Li       0.85568934       6.62835748       8.41863287       1.98177195      -0.40145824      -0.33859665
Li       5.86499047      10.57623135      12.62208087       0.22664140      -0.22502856       0.04693632
Cl      10.16679357       1.94721826      12.25783700      -0.47324608       0.23116481       0.13931051
Cl      12.65116073       0.40576621       9.11217231      -0.20069371       0.10236126       0.18164332
Cl      12.27792778       8.65512420       5.27176688       1.14839083       1.67949195       0.64492018
Cl       9.55191887       4.33923685       5.17515161      -0.13498885      -0.26130065       0.30216616
Cl       9.76079400       9.75337905       6.50097775      -0.23974075       0.14495794       1.25184688
Cl       8.85132349       3.00641000       9.11333219       1.13449922      -0.76318436       0.49512677
Cl       9.75034127       8.22269593       9.79280118       0.26349632      -0.44926259       0.37837822
Cl      12.38233083       5.33328197       2.97231780      -0.76629421       0.10816333       0.07231011
Cl      12.80891827       7.28554019       8.93839737      -0.54673048      -0.04630576      -0.25153026
Cl       9.56843336       7.62447381       3.30585245      -0.17481516      -0.64523710      -0.11737410
Cl       3.49391878       1.29783160       2.35406012       0.17727550      -0.90926592       0.44121532
Cl       6.86270855       9.75955127      10.85657720      -0.99787171       0.13373640       0.09889345
Cl       0.94184084       3.57372959       2.88951062       1.03190299      -0.26825443      -0.44511363
Cl       0.80838003       7.07388963       4.45661951       1.12416734      -0.45914286      -0.48392534
Cl       4.42334199       3.42863408       0.48942672       0.27267543       0.79952020      -0.80975732
Cl       2.54806393       5.97675324       6.85414753      -0.12843185      -0.51720216       0.70845336
Cl       0.37170439       1.76902473       5.48659330       0.38288300       0.30325218      -1.29100002
Cl       3.24636716       6.48522271      10.25569011      -0.48777875      -0.07972806       0.51048816
Cl      13.62182873       8.69566478       2.09927306       0.22484287       1.06138296      -0.01196237
Cl       0.30832106       7.45252154      13.10173284      -0.22774408       0.13557211      -1.03912749
Cl      10.66503124       2.65992334       2.61906518      -0.60571808      -1.00663752      -0.48061349
Cl       3.58955368      13.20421655      13.03682096      -0.03658954       0.48556075      -0.29657844
Cl       6.63839596       4.77615275       8.39913584      -0.69854351       0.70258461      -0.78097124
Cl       5.47489784       0.16627852       8.99419591      -0.26571829      -0.04653785       0.20835007
Cl       6.69070105       5.35152247      12.30548875       0.92091370       0.00644253      -0.20094893
Cl       4.87822222       3.22997694      10.53251490      -0.65480945      -0.88569125       0.17549154
Cl      13.50241628      12.11036649      12.84004173      -0.14589929      -0.25586847      -0.07953185
Cl       8.61788376      10.76823298       3.81886479      -0.70872208       1.03475206      -1.19275215
Cl       8.17105364       8.78496177       0.12477455      -0.00444543      -0.36821824      -1.00390479
Cl       6.85725435      11.13039182       7.46229767      -0.07187256      -0.03097558       0.90798784
Cl       6.69691469       1.24126948       4.08799847       0.20777310       0.27029523      -0.48011202
Cl       5.53871888      11.23330359       0.79507454       0.47852174      -0.56239574       0.92795655
64
Lattice="13.1254 0.0 0.0 0.0 13.1254 0.0 0.0 0.0 13.1254" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.5556283 stress="-0.0024168251675439753 -0.0031844373546360016 0.0006746981861838938 -0.0031844373546360016 -0.004474040799834395 -0.002187868986784806 0.0006746981861838938 -0.002187868986784806 -0.00881604475850307" free_energy=-221.5556283 pbc="T T T" config_type=density 
Li       9.10556249      10.07682897       9.06164491       0.13276453      -0.18696268       0.23564954
Li       4.77496802       2.04403167       0.46299192       0.50268900       1.36235738       1.08588612
Li       8.94614139       6.20697541       5.98732184       0.30399170       0.33464740      -0.14529044
Li       8.42543052       1.44410901       1.89683031      -0.40556061      -0.50071621       0.00712019
Li      12.75413494       1.69175906       7.16331830       0.01754311       0.01056682      -0.04544626
Li       9.01422284       5.16102541       2.71340082       0.42088304       0.21592223      -0.08889842
Li       7.80327343       2.93440630       6.31566685       1.08448042       0.40588089      -0.52051738
Li       6.25397747      13.07715825       8.02468580      -0.40338877       0.71700827       0.76714728
Li       6.52480697       4.67048983       9.44267527       0.61929747      -0.81235512      -0.32306442
Li      12.26357311      12.31092955      10.60940520      -0.33773762      -0.49773210       0.25553661
Li      11.62171480       2.87976526       4.00591146      -0.28463868       0.02807852      -0.19361685
Li       7.33749236       9.00516631       2.25693878      -0.16714399      -0.19868890      -0.35123401
Li      11.81019554       3.01188554       0.19039049      -0.80468600       0.10519776      -0.10539169
Li       5.62061129       9.87044518       9.01031147       0.23343925       0.32374622       0.49767278
Li       4.59736823      12.54310475       2.67729284       0.53846367       0.22224042      -0.77976433
Li       7.11869194       9.95976353       5.78668698       0.72869029      -0.78906122      -0.09148768
Li       5.72796394      11.34479511      12.47070505      -0.21788674       0.29605853       0.26315636
Li      10.13615578       2.03232381       9.19572087       0.30980175      -0.05769886       0.80551008
Li       0.34850825       8.43548457      10.72543374      -0.31406172       0.37921050       0.64881439
Li       4.64641785       3.39005456       7.42297809      -1.54956978       0.56759041       0.30550154
Li       1.90445616       3.00167398       1.47260425      -0.32412466       0.29206585       1.41330726
Li       0.49434588       6.47890745       2.12848049      -0.35158292      -0.00135792      -0.62365624
Li       1.61429295       1.11846652       4.13225656      -0.86600717       0.36559946       0.43041779
Li      11.66330919       8.50548233       7.58390862      -0.07694293       0.07238694       0.43551306
Li       1.31814455       4.99857233       5.08311303       0.31551522       0.71152017       0.99437077
Li       3.27403915       4.42398170      11.60541305       0.10377117       0.10510095      -0.49390765
Li       3.68926118       0.98850537      10.73380774       0.32742468      -0.08852963       0.30640075
Li       6.74043104       7.39172651      11.44172619      -0.31695548      -0.44467847       0.06449758
Li      10.22808608       9.54758659       3.90064575      -0.01728929      -0.45780461       0.32249099
Li       0.05758389       9.49056985       0.40415207       0.31734777      -0.57531174      -0.68255140
Li       0.71518730       9.14802316       4.63039174      -0.63638879      -0.34643065      -0.19913414
Li       1.97644898       6.67989670       7.97343112       0.07098119      -0.52203812       0.01627084
Cl      10.12957995       2.55982051       1.83623033       0.58126054      -0.27445273       0.15681971
Cl      10.57429475       1.60960718      11.68724992       0.17012585       0.22142743      -0.16324268
Cl      11.85764386       4.92864020       1.61920185       0.35116893       0.50544610      -0.00946004
Cl      11.69399638       8.47604206       5.32095841      -0.57851505       0.48526645      -0.41492305
Cl      11.89086425       0.46836021       8.88475389       0.02261226       0.55275443      -0.85671645
Cl       8.90492763       3.76296030       4.49879648      -0.15734191       0.02307961       0.88025447
Cl      11.27198852       9.96489556       9.47312620      -0.04978076       0.37642549      -0.30253017
Cl       5.07616970      12.02035945      10.07151318      -0.08312627       0.07318278      -0.06953176
Cl       9.11581343       8.61559131       7.46218366      -0.61873383      -0.89448196      -1.08421178
Cl      12.41420020       0.87492473       5.11952289      -0.46606574      -2.83959961      -1.13763669
Cl       3.17574303       1.42501155       2.65500591      -0.21974023      -0.46569517       0.69317491
Cl       6.44172319      11.14943666       7.35049963      -0.05627483      -0.44560461      -0.43805296
Cl       1.67481417       4.50965118       3.06438714       0.52584770       0.55841753      -0.76700293
Cl       2.79861091       4.51900959       7.52571060      -0.31075645       0.81127551      -0.93649850
Cl       0.14211396       3.30140561       5.59690682       0.32065889       2.03547999       0.87384110
Cl       2.57370718       2.62241554      12.76128828      -0.19136328       0.72189047      -1.43866004
Cl      13.01006974       9.00347313       2.32718592       0.04311729      -0.17928683       2.07634167
Cl       1.28762143       7.65670209       6.17829641       1.23506093      -0.10500758      -0.80850751
Cl       0.15501229       7.13595185       9.07408779      -0.33494136      -0.41748801      -0.09063255
Cl       0.79211264       7.37583166      12.72766100       0.35454438      -0.34029369       0.07726118
Cl       7.37344283       9.05525284      10.24306216      -0.50767276       0.55765496      -0.28490221
Cl       0.00296122      10.55305786      11.79519321       0.54884527       1.18461451      -0.43075435
Cl       6.37637182       0.90703602       2.07110937       0.11763339       0.63951457       0.36590148
Cl       8.86590582       3.74857486       8.29375650      -0.04467148       0.42060500       0.03880058
Cl       6.25896512       2.18461783       7.48394558       0.17842971      -1.45225308       0.00327675
Cl       5.25391386       5.55436740      10.82123603       0.17603794       1.47660803       0.82564701
Cl       5.89892227      10.81745591       1.67145406      -0.67894630      -0.22544877      -0.39217459
Cl       8.03550113      10.36221454       3.93609745       0.74070852       0.59746228      -0.11040475
Cl       7.38009741       7.78819235       0.27103820       0.21830497      -0.10474380       0.92552202
Cl       8.59105994       7.16280641       3.95355424      -0.09769130      -0.32993605      -0.27394857
Cl       4.34024164       0.27707719      12.94852211      -0.24067954      -2.80306341      -1.49240211
Cl       4.08798458       3.07921884       9.77976179       0.09882537      -1.39956232       0.37404976
64
Lattice="13.9838 0.0 0.0 0.0 13.9838 0.0 0.0 0.0 13.9838" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.83590288 stress="0.001802957328485816 0.0013270447542408678 0.0009256342532694634 0.0013270447542408678 -0.0029688039996645047 -0.0014711494721618649 0.0009256342532694634 -0.0014711494721618649 -0.004407520936408361" free_energy=-220.83590288 pbc="T T T" config_type=density 
Li       6.32311078      13.48517964       1.40300864       0.43475083      -0.55364791       0.42779051
Li       8.03735686       4.20919372       6.44348333      -1.23124550       0.45185748       2.78459474
Li       6.01581678       1.95721460       9.06477461       0.25520910       1.18558420      -0.05291149
Li      11.05362056       1.41548219      10.03845262      -0.58623560       0.38950331       0.19906067
Li       8.16375642       4.59346854       9.99612366       0.20038761      -0.29851036      -0.18296680
Li       4.78629116       5.19471601       9.25115070      -0.19367103      -0.14001068       0.14296521
Li      13.34061512       0.40514285       7.85457461       0.03026644      -0.11329752      -0.04604685
Li       7.45725290       9.65470918       2.37619721       1.22446711      -0.96189135       0.72481458
Li      12.81729937      12.78749989      11.69890302      -0.25331113      -0.30423359       0.86917789
Li      13.86704925       6.42081559       1.13518810       0.11839798       0.48622126      -0.10181490
Li       9.12040217       5.24831591       3.08703572       0.58418312       1.03322493       0.16424649
Li       7.35194090      10.91885868       6.18892224       0.67756247      -0.04273409      -0.04139062
Li       8.12731464       9.79182034       8.76861171       0.59881657       0.01502175       0.10932529
Li      12.67439892       3.02278016       4.01325271      -0.43749986      -0.28817840       0.05031845
Li       8.64421182       7.74530519      12.01469917      -0.18307342       0.00109548      -0.56657240
Li       6.81542444      10.61468307      12.96794685       0.59863453      -0.51302893       0.14853294
Li       6.41652257      12.29788510       9.64817875       0.43689971      -0.66190696       0.57796994
Li      10.38181084       1.83884173       0.11005251      -0.31167102       0.38435457       1.34060312
Li       8.44288706       2.44579459       3.30286169       0.92352789       0.04394454       0.88585482
Li       4.43094882       1.23584769      12.24565561       0.06050431       0.53007853      -1.12699851
Li       0.16820694       9.43811410      11.40907478      -0.43879288       0.09751849       0.13801725
Li       1.87300416       2.44931851       1.69994065       0.24782123      -0.22761979       0.61983386
Li       0.38958867       9.83265303       1.20171184      -0.61786393      -0.33461231      -0.33975202
Li       0.25466038       9.97611284       4.59429359      -0.30878466      -0.45254629      -0.20493458
Li       1.78472443       0.52802269       4.30182241       0.15761722       0.74103084       0.05985406
Li      10.66625532       9.90473952       4.34278096      -0.19699210      -0.30698923       0.07643436
Li      12.67930723       6.98762096       4.72084698      -0.08150779       0.76848042      -0.09821595
Li       3.26682544       4.43561941      12.19320238       0.30430388       0.05707584      -0.43504005
Li       5.12211212       2.22374583       1.15499336      -0.12421032       0.81587622       0.87618185
Li       1.27775714       7.17540941       8.95886131       0.20101654      -0.11549737       0.13112891
Li      11.72124913       9.49350393       8.12002908      -0.44262700      -0.15027760      -0.12399572
Li       1.86541095       4.69503288       4.95204114       0.18501159       0.07023863       0.12879162
Cl      10.37167259       8.98937396       9.83221954      -0.25061490      -0.74926236       1.01424111
Cl      12.59092962       8.86491814       5.58963250      -0.12486840       0.25156850       1.52577318
Cl      12.63055971       5.17415982       3.92465136      -0.28937206      -0.43138152      -0.43225893
Cl      12.54387413      13.76112057       9.84554610       0.38915582       0.11258752      -1.25753201
Cl       0.19815045       1.03992347       5.94673680       0.00561858      -0.36383831       0.03531028
Cl       9.74616323       2.91327302       8.77854021       0.16979014      -0.07929091       0.41834957
Cl      11.00990721       0.93717330      12.39448519       0.19639564      -0.20384922      -0.57141696
Cl      12.74217840      10.46263721       3.08668613       0.11808217       1.15571897      -0.95124081
Cl       9.69317861      10.33688090       7.21600438      -0.05581738       0.54702689      -0.55643078
Cl      10.64677589       2.72885467       2.78736289       0.45377748      -0.57739985      -1.48932161
Cl       3.61507799       1.45648269       3.04224561      -0.18310967      -0.39172392       0.22925235
Cl       7.09454109      10.18122722      10.70321450      -0.49645579       0.46721970       0.64564827
Cl       0.85533031       3.09346827       3.58516664       0.50019032      -0.23416642      -0.45809089
Cl       3.06537481       3.11816366       0.06739115       0.05791377       0.59218597      -0.66786041
Cl       3.32751513       5.57788611       6.40121030      -0.39200804      -0.06536003       0.05531298
Cl       2.67346484       5.71647955      10.35560520      -0.15093657       0.28512220      -0.23495524
Cl       5.00192136       3.17088259      10.88714343      -0.49412779      -0.21920037       0.42658956
Cl       0.58458717       7.83393452       2.60336405       0.42454561      -0.00360332       0.47330208
Cl      13.28186498      11.15324116      13.10024758       0.22669973       0.25636531      -0.30421424
Cl      13.84737992       8.99036681       8.90941459       0.73533923      -0.13370852       0.54505000
Cl       5.34481812       0.11256959       9.62751069      -0.68878509      -0.30848680       0.60569137
Cl       4.90702729       0.46845730       0.13997784      -0.35049198      -1.62636702      -0.96119798
Cl       6.70685422       4.20193613       8.22750857      -0.39939969      -0.01864969      -0.23256552
Cl       8.91029557       3.92274956       4.82283083       0.63529135      -0.08643060      -1.55861977
Cl       7.05956761       5.68321209      11.54324934       0.56099493       0.60280037       0.10730742
Cl       6.58926445      11.14829089       1.31879819      -1.07433387       1.51225554      -0.88887843
Cl       8.36836739      10.57141719       4.38055120      -0.17155669       0.29932214      -1.23884821
Cl       9.33324959       7.57549991       3.61377750       0.02851288      -0.73321254      -0.39812159
Cl       8.61355933       9.14697139      13.63778625      -0.13861723      -0.01170509       0.46634517
Cl       6.13965731      11.31833390       7.83428411      -0.48433237      -0.42855827      -0.71602491
Cl       7.33089528       1.54695788       1.91835362      -0.64468648      -0.37678297      -0.96557565
Cl       0.86671592       8.30419573      13.21583767       0.05531447      -0.64531949       0.20012392
64
Lattice="13.2539 0.0 0.0 0.0 13.2539 0.0 0.0 0.0 13.2539" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.97855163 stress="-0.0038498874717820377 0.0026220239113852388 0.002655600272007165 0.0026220239113852388 -0.008221178095473056 0.0027605110214325755 0.002655600272007165 0.0027605110214325755 -0.014094295414649457" free_energy=-217.97855163 pbc="T T T" config_type=density 
Li       7.43745249      10.05610504       6.00862906       0.24758179      -0.23583652       0.41165655
Li      10.56543916       3.08196913       0.06266802      -0.09302817       0.47309182      -0.28329662
Li       8.28546352       3.22051215       6.16913379      -0.25843937       0.09131219       0.70693969
Li       7.18097627       3.39606005       9.63431293      -0.01010257       0.34358271       0.02767539
Li      12.24713376       7.04695284       1.53602098      -1.31652958      -1.24316698       2.10983007
Li       4.80711001       0.51701476      11.50345743      -0.28182152       0.58647690       0.10799200
Li      11.11183119      10.54408713       4.05247270      -0.31891162      -0.47365899      -0.14795044
Li       8.40466910       4.98241934       2.53380108       0.17497154       0.54503365      -0.48879801
Li       4.54329113      13.20411835       2.15993507       0.89802543      -0.42390647       1.48307345
Li      10.90389075       3.29033369       9.58899784       1.03388159      -0.46369910       0.30721976
Li       6.78251102      13.05680125       8.46199222      -0.47856645       0.46231638      -0.03613194
Li       7.19827261       7.33986403      11.77386349      -0.31191823      -0.14338488      -0.25198208
Li       6.14812635      10.82651448      12.76284300      -0.35249416      -0.41223744       0.45251850
Li      12.68927061       0.84886458       7.22849151      -0.05085926       0.28105463       0.61688394
Li       5.16122771       9.93131957       9.52050169       0.64767583       0.18129077       0.04114321
Li       6.80431369       8.98602491       2.46075884      -0.10388821       0.25191848      -0.34958676
Li       8.76296178       1.01684716       1.84133782      -0.62006852      -0.28762351       0.00551091
Li      11.15197725       8.59736755       7.66099277       0.74467918      -0.14482538       0.28096223
Li       5.27120857       2.41935365       0.61022811      -0.18171082       0.07031140      -0.23311086
Li       2.39908844       3.65819569       1.23169818       0.31514131      -0.05013768      -0.24388064
Li      13.02900782       9.01662817      10.82180935      -0.03226619      -0.90416164       0.30434741
Li       2.02721051       1.63799649       3.83709683       0.37506783       0.92556278       0.25287981
Li       9.00105484      10.13020759       9.36714081       0.00332876      -0.50768150      -0.11038965
Li       1.22309242       4.06202876       6.15492561       0.54660371       0.39145117      -0.02875728
Li       9.17685457       7.21909449       4.92285632       0.36886609       0.18158894       0.22333023
Li       3.86551319       2.35854476       7.69007183       0.72788125       0.25643420       0.52772138
Li       1.36049958       6.49907637       8.87507652      -0.09021400       0.76510020      -0.36860100
Li      12.02221507       3.25423007       3.37568881       0.44894141       0.51265107      -0.00843234
Li      12.54318612      12.42110445      10.97967655      -0.25287495       0.92020653      -0.81145318
Li      13.24815669      10.25370743       0.78973628       0.25960890      -0.24925583      -1.05267475
Li       0.56268240       8.13047242       4.09870231       0.46631616      -0.70169774       1.57165197
Li       3.86487700       4.46330384      10.72394255       0.70517862       0.18601932      -0.86783557
Cl      11.22262054       9.80229285       9.69366389      -1.85431602       1.34961866      -1.01855996
Cl       9.54834813       2.81295472      11.13649670      -0.01092790      -0.68228913       2.63807934
Cl       8.78995997       4.60003107       4.53360253       0.43304425      -0.61378432       1.12051559
Cl       9.18171875       8.29459546       7.03247958      -0.90081778      -0.56945487       0.56984725
Cl      13.13658973       2.15029948       5.48018281      -0.65802433      -0.49703958       0.23909016
Cl      12.73139150      10.65622838      11.94124700       0.58515368       1.67163475       2.08064092
Cl       8.92693903       9.93959000       4.51048772      -0.50202000       1.61509076      -1.14205138
Cl      11.46377525       8.49480887       4.52231020      -0.04123110      -1.86860094       1.79729443
Cl      10.28795551       2.42258760       2.24244059      -0.46639224      -1.70384186       0.04391627
Cl      12.35654470       1.00925002       9.68307402       0.13212709       0.04259105      -0.71607139
Cl       3.71899132       2.01998714       2.11880822      -0.65519721       0.23483291       1.71724872
Cl       4.26653644      13.10368030       0.24135352      -1.54456673      -1.00064551      -3.45486013
Cl       1.18462298       3.66064766       3.05255872      -0.90958910       0.35734803      -0.09638632
Cl       2.32680167       4.89088791       8.19410439       0.71003074      -1.69835425       0.58740226
Cl       3.13165800       2.85817703       5.75403489      -0.04771160      -0.61123459      -0.61196764
Cl       3.78498249       3.47128919      12.58155616      -0.71028672       0.35779918       0.66706731
Cl      13.10591358       9.34504656       2.58488161       0.87587670       1.86350038      -0.06882666
Cl       1.99211419       7.21139397       6.02682666      -0.65855917       0.36933967      -0.69308400
Cl       6.64428610       0.92734755       1.30913542       2.09687693       0.31259416       0.49235467
Cl       9.28065911       3.88593745       8.56771858      -1.09580217       0.71712726      -2.56077983
Cl      11.31237595       4.94654103       1.70433225       0.26114647       1.12077682      -0.40353491
Cl       6.46396679       1.97510943       7.19473382       0.52067138      -0.43796589      -0.28739809
Cl       5.05634960       2.22168499       9.97196928      -0.25313758       0.06112976      -0.12246927
Cl       5.58955399      10.92037860       1.93009919       0.18984673       0.09679964       0.73365971
Cl       6.30188485       8.36614001       0.27033450       0.01740096      -0.09199753      -0.21578923
Cl       7.94836383       7.19195050       3.08134620      -0.22728889      -0.22450618      -0.53069327
Cl      13.01342124       7.91391694       0.06719727       1.31393237       0.49456019      -3.27182433
Cl       7.23505219      10.89254541       8.08894795      -0.11148762       0.93496797      -1.28367686
Cl       7.15184420       9.25412480      10.43919576       0.01358656      -0.51742385       0.93482858
Cl       5.12022014      12.11370674      10.21887619      -0.01966585      -0.63906218      -0.35222018
Cl       6.21334880       5.50133603      10.65202689      -0.10136987      -0.12898811      -0.00525543
Cl      12.95343409       7.67131756       9.28442322       0.40864224      -1.49865185      -0.93495172
64
Lattice="13.3026 0.0 0.0 0.0 13.3026 0.0 0.0 0.0 13.3026" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.13285953 stress="-0.003193479528770815 0.0010704765490483932 0.00013977133799904218 0.0010704765490483932 -0.002434488326294769 -1.9878894490481886e-05 0.00013977133799904218 -1.9878894490481886e-05 -0.009997804693967983" free_energy=-219.13285953 pbc="T T T" config_type=density 
Li      13.28754146       9.19865478      10.82722559      -0.29392572      -1.03652432       0.29166113
Li       5.16312484       9.60636617       9.39993642      -0.51404240       0.30070703       0.33505141
Li       8.29116471       3.26149156       6.06296591      -0.21777237       0.03032347      -0.31852089
Li       7.38876954       3.73501091       9.51374017      -0.00821385       0.27881344       0.16173972
Li      11.11140903       3.55481389       9.62255543      -0.92727855      -0.32193012      -0.29411863
Li       5.15418549       0.43380444      11.27307553       0.08121999       0.47038354      -0.62768679
Li       4.98436450      12.62310319       2.13065084      -0.57937611       1.66115462      -0.41820339
Li       8.42812828       1.23185535       2.15091070       1.50392841      -0.29067327       1.19768997
Li       6.86298427       9.23320163       2.55730513       1.12629855      -1.88115677       0.30771343
Li      13.00945060       1.41813698       6.94918512       0.01957153      -0.43664031       0.85125945
Li       7.77004866      10.13119365       6.35188508      -0.38814906      -0.11656325       0.89673604
Li       6.49639122      13.15732231       8.39028238      -0.18609733       0.17041644      -0.29076015
Li       7.53154634       7.19044108      11.44279010      -0.30296835      -0.65650978       0.43898655
Li       6.01779028      10.67327460      13.01973351       0.03412086      -0.23629405      -1.51886478
Li      11.76169333       3.20769585       3.20588669       0.11181447       0.31512779      -0.08491604
Li      12.41090012      12.62157339      10.42170913      -0.33196722      -0.66826647       0.07400485
Li      10.45914264       3.54998505      12.99501728      -0.48549417       0.05845132      -0.29357569
Li       8.55965109       5.07240110       2.31632853       0.17112711       0.23827055      -0.11494149
Li      10.74051924      10.18706457       4.33084767       0.73128256      -0.53961304       0.33758430
Li       1.93326686       3.40767383       0.93989520      -0.22953130      -0.29605264       0.52614949
Li       2.19391800       1.87606568       4.28681606       0.31882431      -0.07387514      -0.13205005
Li       9.33154776       6.78721266       5.28976559      -0.26260198       0.80523928       0.11390468
Li       1.08751948       4.27480381       6.16973258       0.36604339      -0.21821001      -0.07868581
Li       4.04184868       2.49319990       7.75674606       0.58033792      -0.72163237      -0.17263427
Li       5.60797708       3.09492971       0.94355076      -0.82124520      -0.27542459      -0.06869044
Li       3.91911889       4.12580139      11.14152612       0.79214499       0.30461067      -1.05776401
Li       1.59028592       6.47599834       8.44798906       0.71769046      -0.73891642      -0.43792159
Li      13.14823663       9.97450232       0.84356576       0.19420468      -0.81892022       0.12298059
Li       0.72884147       8.26201872       4.56095604       0.03965397      -0.58716125       0.95503818
Li      11.56142269       6.87689879       1.84852930       0.56447555       0.58791155      -0.23329395
Li      11.58709670       8.64863218       7.93550640       0.25248084       0.19924611      -0.06342108
Li       8.62950304      10.10848611       9.68635470       0.19708338      -0.11051762      -0.20947042
Cl       9.33090923       3.80109823       7.83037595       0.53140819       0.27855747       0.57982327
Cl       9.56797487       8.97908207       7.00811564      -0.97299863      -0.59051633       1.61368050
Cl      12.77654868       2.42015532       5.15656665      -1.50673584       0.42232837      -0.03388372
Cl       9.17560138       3.96285784      11.11665025       0.87617908      -0.24595320       0.32591798
Cl      11.93605051       0.97132260       8.98373798       0.09711474       0.59673123       0.12037223
Cl      11.89042259       8.49067711       5.39247496       0.57159878      -0.00853782       0.05304364
Cl       9.43747636       4.88974310       4.32510094       1.32125220      -1.97366480       0.80870194
Cl      11.23046730       4.91306256       1.19426619       1.01208574       1.67791446      -0.11814613
Cl      13.17590604       8.46988514       2.63339600      -0.20185413       0.44883431      -1.47785940
Cl      10.86975400      10.76435750       9.90430450      -0.19059766      -0.05893258      -0.33236824
Cl       3.91683085       1.59197535       2.54155485      -0.06886054      -0.20192099       0.89037172
Cl       5.33624487      11.52228644      10.91699153      -0.10430125       0.01717819      -0.78656492
Cl       1.04879827       3.21769940       2.91525149      -0.26364736       0.68352840      -0.84130692
Cl       3.10095578       4.27260888       8.11378784      -1.08701465       1.93461988       0.60983306
Cl       1.92605685       1.75916243       6.74393931       0.79098649      -0.59258198      -0.16140383
Cl       3.59977668       4.05553706      13.20191262       0.46924323       0.13028613       0.36845135
Cl       4.61656091      13.26092295      13.16160574      -1.33903446      -0.19343627       1.02884764
Cl       1.59902573       6.55246168       6.13602379      -0.22279286       0.00693943      -0.49564866
Cl      13.13767170      10.79036408      12.20290066       0.24395989       1.56589194       0.18409080
Cl       0.43147515       8.13523164       8.95588233      -0.56195191       0.71816148      -0.32337988
Cl       9.92981889       2.67303775       1.72617198      -0.57936296      -1.90788644       0.64912040
Cl      13.10822108       7.23649468      12.24284837      -0.13209721       0.28291624       0.16215926
Cl       6.50473195       1.93954569       7.00657254       0.09897530      -0.60431578      -0.41819503
Cl       5.98328334       5.48992981      11.13507436       0.17368690       0.06764713      -0.20045237
Cl       5.30747135       2.68901417       9.78737465      -0.15143226      -1.40924023       0.78026645
Cl       5.93891916      10.81953668       1.74560708      -0.36400321       0.45254933       1.07655262
Cl       7.35093694       8.15925613       0.14836257       0.22093244       0.32810870       0.75024836
Cl       8.67966715      10.22871501       4.49569349      -0.86013097       0.72696988      -2.00244366
Cl       6.25748983      10.82985950       8.01440412       0.64832841       0.90475560      -1.61772463
Cl       6.84720739       8.94387008      10.42640495       1.02135934      -0.58499902      -0.18583145
Cl       6.90587186       1.30790764       1.03068013      -0.88401989       0.38517260      -0.92555626
Cl       7.49291559       6.73801965       3.48577340      -0.83991429       1.34712045      -0.27569644
64
Lattice="13.3732 0.0 0.0 0.0 13.3732 0.0 0.0 0.0 13.3732" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.77673349 stress="0.0005516050967955805 0.0012774297498973966 0.0016993954690466546 0.0012774297498973966 -0.0008837142994216384 -0.0024653546798278185 0.0016993954690466546 -0.0024653546798278185 -0.007773436990848894" free_energy=-218.77673349 pbc="T T T" config_type=density 
Li       7.43487066       9.46678129       6.34385826       0.45723137       0.36931532      -0.47711075
Li       8.73701914      10.70980686       9.62470541       0.11718343      -0.44551639      -0.29479305
Li      12.48742610       7.32383298       2.08822518       0.30854619      -0.12645317      -0.42741830
Li      10.73647302       9.61106475       3.76244283      -0.61286266      -0.29996651       0.58820602
Li       7.12098828       3.42454219       9.90837773       0.37214779       0.56540541       0.16714563
Li      10.59346002       4.06836816      13.10581624      -0.44131501       0.41712176      -0.11895615
Li       5.08185612       0.81416710      11.67564611       0.00713464       0.30503439      -0.75480929
Li       9.01799008       5.32999585       2.53650822      -0.26644260       0.02148266      -0.13920760
Li       4.72824197      12.75874158       2.06311031       0.42323041      -0.21514210       0.93937043
Li      10.88931532       3.25202791       9.45886436      -1.20317383       0.99070550       0.41358588
Li       6.23019943      12.90430886       8.22574833      -0.09339839       0.71204627      -0.00996623
Li      12.85583101       1.83667529       7.32570523       0.30687708       0.16844217      -0.73751653
Li       7.46096177       7.01501905      11.89134245      -0.17559542      -0.79792385       0.56881114
Li       6.30603885      10.83960714      12.80570826      -0.31599553       0.42439262      -0.03327908
Li       4.96803681      10.21790045       9.40181429       0.35572304      -0.10997606       0.80729160
Li       7.51298352       8.82588406       2.53131942       0.43999607      -0.65927557       0.11665196
Li       8.95592505       0.91182356       2.16747476      -0.90376692       0.54906593       0.20795051
Li       7.75851547       2.35486004       5.98135092       0.16255184       0.35757364       0.02801445
Li       5.00509395       2.32122644       1.41460372       0.41973688      -0.21891545      -0.10563168
Li       1.88638347       3.43602977       0.79290639       1.02471640      -0.37862122      -1.13694360
Li      12.50265817      12.80421046      10.18761015       0.28055506       0.23561978       0.49678827
Li       1.57556356       1.42498133       3.82107094       1.69431962       0.05707454      -1.16697967
Li       9.15876975       6.42777509       6.14921133       0.22895680       0.11574421      -0.64038409
Li       1.40464069       4.67591263       5.10368118      -0.77834658       1.48500266      -0.98031989
Li       4.07435935       3.23150005       7.50348855       0.23915397      -0.14996184       0.23442717
Li       1.84883153       7.00379893       8.49249018       0.85546869      -1.96196250      -0.88190263
Li      12.02241319       3.45606282       3.46463504      -0.01030832       0.30099828      -0.42165891
Li       3.48532338       4.20698138      10.83452532       0.90510096      -0.28226594       0.01133647
Li       0.24236384      10.33550437       0.71494732       0.25966406      -1.05958740       0.91858702
Li      11.73515685       8.86957430       8.01324819      -0.38993240       0.26748597      -0.49240756
Li       0.59366309       8.39061314       4.96656576      -0.81536467       0.32862598      -0.26514360
Li       0.64140943       9.32832855      10.69704883      -0.45588483       0.35186570       1.89055395
Cl      11.60811145       8.22618965       5.30042770       0.77147567      -0.15312052       0.82520476
Cl       0.13413320       9.18198563       2.92692542      -0.02696306       1.04257099      -0.65379490
Cl       9.18555627       3.68965251       8.04280296       0.06355030       0.10035831      -0.69719071
Cl       0.22012287       2.16453266       5.05672788      -3.71467725      -0.40759686       1.09370459
Cl      11.22586528      11.31947768       9.55504441      -1.00969576      -0.96371375      -0.57261809
Cl       8.48205909       3.67680086       4.33686189       0.07163052       0.10007607       0.32650630
Cl       9.39308159       9.10694860       7.37380863      -0.04415108      -0.56592273       1.26517779
Cl      11.39221451       5.48743853       2.40455485       0.22828779      -0.33277568       0.22213822
Cl      11.84313207       1.38438029       9.18936763       0.59950965      -0.51494684       0.11230253
Cl       9.39978156       4.42718449      11.14106581       1.16814925      -0.41369622       0.45794293
Cl       3.42525097       1.23889860       2.46112349      -1.51518494      -0.24629664       1.16668067
Cl       4.74196287      13.28647480       0.09842675       0.29614984      -1.27844389      -0.94448642
Cl       1.21283557       3.89463692       2.60836242      -0.81877948       0.45078729       1.17383177
Cl       2.53168049       4.58640581       8.64444985      -0.08152781       0.76885544       1.31791895
Cl       2.52135638       3.31417317       5.90971069       2.76739113      -1.25122255       0.77689897
Cl       3.78770481       2.83416890      12.87351038      -1.14481030       0.98071892       0.27661622
Cl       1.63530164       6.95827656       6.02691342       0.56450767      -0.79327745       0.42673213
Cl       0.74461978       8.63926105       8.82183198      -0.87112791       0.95036225      -0.80591268
Cl       6.52891660       0.69698043       2.73822957       1.17396612       0.17400731       0.00305295
Cl       6.33841536       1.78366392       7.61938070       0.11410998      -0.50507750      -1.15360718
Cl       9.93469619       2.93295673       1.54172936       0.14803634      -1.19147243      -0.24972399
Cl       6.23655170       5.06468493      11.42940538      -0.34661052       0.50715675      -0.41684677
Cl       6.10645721       9.75389053       1.25240687      -0.89936764       1.11389367       0.74172208
Cl       7.58174852       6.99994745       0.83912551       0.61801636      -0.65981385       0.01025622
Cl       8.94624286       7.24894306       3.71397836      -0.34543243       0.45515461       1.10870615
Cl      13.19458754      10.88583829      12.14574084       0.17420813       0.65765888      -0.76746455
Cl       6.23252637      10.74136761       7.77841479       0.24473041      -0.73160598      -1.35237474
Cl       8.54852389      10.62647845       4.66033286       0.15092938       0.09524273      -0.78019758
Cl       6.75595342       9.06249609      11.63368101       0.13812445       0.47901429      -1.66761157
Cl       5.79031476      12.12166908      10.31642081      -0.11344979       0.62443913       0.97908198
Cl       5.16851446       2.38873436      10.16805853      -0.83513596      -0.16640715      -0.11835092
Cl       0.07823322       7.27112920       0.02861865       0.07823381       0.35765859      -0.40858699
64
Lattice="13.4652 0.0 0.0 0.0 13.4652 0.0 0.0 0.0 13.4652" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.81980151 stress="-0.0035186523425769865 0.00528638228772237 0.001997323789684399 0.00528638228772237 -0.006073235755457106 -0.0013937849242145178 0.001997323789684399 -0.0013937849242145178 -0.007404006509642361" free_energy=-219.81980151 pbc="T T T" config_type=density 
Li       7.78890454       8.35624728       2.61642301      -0.19390838      -0.36122431      -0.05422977
Li       8.31430318       3.03765486       6.24078357      -0.42580564      -0.41165051      -0.77371667
Li      10.88674885       3.50371237      13.10760468      -0.35624119       0.44384121      -0.02298220
Li       7.45320364       4.21925309       9.78994099       0.00697054      -0.14257819       0.11415790
Li       4.60099151       1.11628528      10.97625204       0.20349128      -0.49827230      -0.17643426
Li      10.61515577       3.33248888       8.81635317      -0.15970526       0.06796153       0.59128505
Li      10.23846680       6.20038797       5.71634096      -0.22995702      -0.27209871      -0.34863865
Li      12.00576083       3.15140887       3.42693380      -0.14342012       0.26059972       0.08291575
Li       4.59828501      12.36665512       2.45710277       0.13937077       0.59596416      -0.04765822
Li      13.00324938       1.60606173       7.17240036       0.00851586       0.16772466      -0.41258295
Li       7.23345158       9.89786456       6.29359408       0.35365115      -0.38683525       0.22209134
Li       9.44077488       5.33190950       1.79796776      -0.26534702       0.14945971       0.81373766
Li       6.60379190      13.28950607       8.36011179      -0.24841060      -0.71477465       0.36392858
Li       6.80422140       7.42608473      12.58213872       0.21124472      -0.37729048      -0.74600874
Li       5.55510866      11.52646704      12.77287328      -0.07058663       0.24309023       0.17808334
Li      13.11482203       9.51714950      10.66670055      -0.19753801       0.41039884       0.72071762
Li       8.58712160       1.39310959       2.10702103       0.03063959      -0.01421076      -0.02163504
Li       5.24438570       9.91497883       9.50867989       0.78352920       0.35542120       0.32796602
Li       3.37285755       4.42995654      11.47412781       0.14386540       0.04451533       0.47446041
Li      12.87347179       8.34093735       1.94208580       0.25208761      -0.03909865      -0.31182451
Li       2.59874320       3.34797386       1.44897671       0.55914503       0.05645705      -0.88316290
Li       0.70626051       8.32643533       5.68343201      -0.05931780      -0.47247942      -0.28074720
Li       9.12187855       9.88151781       9.68714765      -0.56697074      -0.11564985      -0.23218284
Li      11.58887824       8.36844675       7.94945012      -0.22040443       0.45093099      -0.07298698
Li       0.19467313      10.98641826       0.25604078       0.37591735       0.35109523       0.46724708
Li       1.60866051       1.16225008       4.18020401       0.68264048      -0.55701611      -0.03529877
Li       1.24274505       6.42342554       8.85941487       1.12675938      -1.08718970      -0.59720871
Li      10.06729718       9.26188970       4.93041763      -0.53352532      -0.23508338      -0.65476760
Li       4.64626152       1.61284819       1.12155960       0.92540710      -0.17294777       0.63346488
Li      12.72209601      13.33442598      10.39786784      -0.33893010       0.16423743      -0.26966540
Li       4.00798411       3.47687622       8.13471781       0.41222341      -0.03536150       0.39711585
Li       2.47883560       4.83773666       4.74636181      -0.44786138      -0.03271236       0.00873126
Cl      11.45970658       5.18271508       1.27545875       1.24622318       0.56358021      -0.36494570
Cl       8.98777863       6.89346874       3.93587796       0.05356249      -0.10888312      -0.23773172
Cl      11.89806616       7.94096705       5.09715720       1.14845815      -0.18281388      -0.03183213
Cl      10.21066116       3.69175388       5.14031317       0.44597236       0.01221245      -0.62136495
Cl      13.40663985       2.19888063       5.07795583      -1.37886250      -0.78541041       2.39915606
Cl       9.64859678       3.97541179      10.78099317       0.87912611      -0.57061395       1.14143287
Cl       9.68954445       9.03638800       6.98535527      -0.90289829      -0.32254904       0.75385004
Cl      11.34646425      10.36164645       9.33616375      -0.16567098       0.38866296       0.43696745
Cl      12.17991973       1.68271911       9.18362996       0.13808511      -0.11055947       0.00465889
Cl       3.31348949       0.81175497       2.65513546       0.35558861      -1.32843994       0.57882520
Cl       5.33904606      12.17484335      10.21634347      -0.63681087       0.38426028       0.32141488
Cl       1.39320385       2.83465351       2.97151380      -0.79981276       2.69860670      -1.13723053
Cl       3.88918065       3.97838760       6.02310515       0.51171010      -0.61888129      -0.29465362
Cl       1.89331484       6.43550383       6.29609861      -0.70583669       0.86614272      -0.06139114
Cl       3.87395151       3.00854310      13.17278972      -1.12136761       1.97438154       1.08216844
Cl       2.90729826       5.07304103       9.49969860      -1.45088074       1.21698278      -0.65024337
Cl       0.90735250       9.86728509       2.56712691      -0.20762687       0.31163013       0.72200780
Cl       0.09863434      11.87240149      11.60676003       0.36573680      -0.04997493       0.23303220
Cl       0.08997029       8.98341590      13.17724670      -0.56822114      -1.27467783      -0.87082003
Cl       6.71015351       0.37506911       2.02952880       0.17355665       0.37006129       0.26894118
Cl       7.95704450       6.25012842       0.61413296      -0.60088356       0.62356706       0.09918889
Cl       5.82905815       1.73337520       7.87891941       0.45245571       0.03009530      -0.57560898
Cl       8.88336947       4.15418925       7.83250486      -0.45903941       0.94357266       0.55394281
Cl       7.01254151       6.16769446      10.56553651      -0.41503361      -0.18149953       0.05604036
Cl       4.76965661       3.19659808      10.46959696       1.54734425      -0.71617721      -0.93108265
Cl       4.58899402       0.29593413      12.98268802       0.15103054      -2.22196459      -0.57255568
Cl       5.53073664      10.65367971       1.66044767       0.04757456      -0.75960346      -1.01211668
Cl       7.43647986       9.86374375       4.23530361       0.47915731       0.32223718      -0.46865692
Cl       7.08946820      10.88441937       8.15750093       0.23664460       0.21173462      -0.17379319
Cl       6.87068563       9.11988570      11.01810188       0.04335495       1.08875242       0.37703480
Cl      10.58006546       2.36557980       1.82061623      -0.42208637      -0.94847371      -0.40651537
Cl      13.44628139       7.98985919       9.08856565      -0.19807925       0.33881866      -0.07229052
64
Lattice="13.8582 0.0 0.0 0.0 13.8581 0.0 0.0 0.0 13.8581" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.74322931 stress="0.0011096937609239642 0.00028711707188081823 0.002411367847866177 0.00028711707188081823 -0.0010789498283509094 -0.0025867046530304734 0.002411367847866177 -0.0025867046530304734 0.0005873843918219781" free_energy=-219.74322931 pbc="T T T" config_type=density 
Li       8.08512333       8.93463581       2.32168907      -0.15161580       0.08987701      -0.13531157
Li      10.77064847       9.96572002       4.59340583       0.14142774      -0.31901673       0.47623713
Li       6.06013543       1.88563009       8.91825553      -0.54936488       0.35943972       0.11744403
Li       4.58610798       5.30907968       8.90838856      -0.77766197       0.03029290       0.28231117
Li       8.03520609       3.82550079      10.89687348       0.05710342       0.19292423      -0.25168178
Li      11.12551540       1.91302756      10.00740519       0.31246437      -0.24030166      -0.22420266
Li      13.20208352       1.03515988       6.93108714       0.15376620      -0.08632179       0.07771808
Li      12.91203139       7.62551653      11.79514166      -0.49005436       0.05607378       0.19600457
Li       7.75643454      10.75172374       5.52142735       0.03268398      -0.03276602       0.51879048
Li      11.73779839       6.95496465       4.30867730      -0.37362476      -0.01088411      -0.21371168
Li       5.43891390      11.57611439       9.01081378       0.32226065       0.34802845       0.36111216
Li      10.19040564       1.50543312       0.42949024      -0.02697294      -0.10583433      -0.58620036
Li       7.84281270       7.64605424      11.42317640      -0.16855483       0.54193986       0.53183400
Li       6.50819875      10.77452031      13.04521157      -0.14373037      -0.29012679       0.03841507
Li       9.08822142      10.46825630       9.41214436      -0.12066943       0.01051516      -0.33588484
Li       9.50847133       4.48517406       2.31553607       0.00285649       0.35392421       0.95617138
Li       8.49283157       4.59480549       7.58884800       0.03153819      -0.14056230      -0.11812093
Li       9.13819409       1.77663614       3.96877968      -1.05541331       0.16954288      -0.06561395
Li      12.89541541       3.08090508       2.75638995       0.24019887       0.07637579       0.30958127
Li       5.58206910       2.40705496       2.15855151       0.06349489      -0.26661908      -0.13692412
Li       2.29389241       2.75446367       1.15851360       1.70979394      -1.20382904      -1.28127446
Li       2.24755059       2.03346830       4.29632974      -0.06538880       0.09265547      -0.02997287
Li       0.21039658       6.72643072       2.00201042      -0.01747512      -0.23668315       0.33754818
Li      13.30570128      12.79602907      11.11166017       0.09530559      -0.25390239       0.07521731
Li       1.06534774       5.06059009       5.40479758       0.12140226       0.51494901       0.03250648
Li      11.56836804       8.59950537       8.08315257      -0.19939814       0.53785336       0.21727489
Li       3.54513543       5.21919605      12.08423548       0.56871250      -0.45651177      -0.33346846
Li       4.41046916       1.54706285      11.93610625      -0.11014904      -1.14755795      -0.30254402
Li       4.50309737      12.89225972       1.71590994       0.34075264      -0.02701963      -0.65896040
Li       1.04908237       7.02360382       8.50378748       0.27143733      -0.08878907       0.49263206
Li      13.43251767       9.82896829       0.28480474       0.14598341      -0.27209376       0.51652125
Li       0.83809820       9.53031238       4.27320057      -0.11734425      -0.83160272       0.35571955
Cl      10.37686772       2.00246773      12.05323491      -0.20749619      -0.20560347       0.87248319
Cl      12.96848970       0.30234771       9.07870461      -0.28860149       0.25188449       0.24502517
Cl      13.46606837      10.07192850       2.67451629      -0.39593306       0.19163039      -0.52794217
Cl      10.34704487      10.66213112       7.43546655      -0.12862912       0.35798439      -0.37161398
Cl      12.07961090       8.38622922       5.78582604       1.54108660       0.75401905       1.55772684
Cl      10.57842138       9.07410372      10.29785710      -0.32792126      -0.54562006       0.57713876
Cl       9.97927596       3.60644580       9.15791751      -0.39617763       0.27138994      -0.43013058
Cl      13.80894796      11.62459002      13.04214893      -0.20174505       0.57905763      -0.70543175
Cl      11.99055810       4.94432063       3.52533434      -0.19235492       0.19679059      -0.19456510
Cl       9.63481654       8.00678058       4.35310637      -0.80076133      -1.91654046      -0.93286154
Cl       3.56475864       1.55510055       2.71635390      -0.03198414      -0.72707553       0.06579138
Cl       6.89868125       8.52587729      13.50807211       0.75212009      -0.43898051       0.24030517
Cl       1.24920725       3.82285389       2.42613757      -1.23733785       1.27075734       0.91916747
Cl       4.38502550       2.72821643      13.62035182      -0.43011656       1.61682717       2.15777446
Cl       2.37055598       5.94562379       7.19400301      -0.05132609      -0.66968646      -1.44138751
Cl       0.15079246       1.84829637       4.92659612      -0.44983434      -0.03013057       0.51435559
Cl       2.79995230       6.02794091      10.13905714      -0.04876817       0.33503796       0.97277787
Cl       0.62306883       6.96204614       4.19814510       0.59512192       0.32480756      -0.22100898
Cl      13.78850684       7.34283901      13.75710217      -0.02028088       0.23855729       0.18023954
Cl       6.76217798       0.97957366       3.50395129       0.63314881      -0.01461928      -0.28980813
Cl      10.61089114       2.53254006       2.33137588       0.17618358      -1.15187385      -0.68165963
Cl       8.34111200       3.91880738       4.29693949       0.19424082       0.28337225       0.06222410
Cl       4.98816208      13.84163394       8.62967446       0.05057632       0.01650844       0.17377597
Cl       7.09477478       5.54900497      11.85506408       0.39954627       0.01802759       0.03831126
Cl       4.79306634       3.34892073      10.76366942      -0.26921492      -0.40997687      -0.72061613
Cl       5.60522615      10.90028257       1.26509763      -0.17152187       0.48292213       0.76728587
Cl       8.89372158      10.62392434       3.63837486      -0.55791647       1.89805384      -0.73136854
Cl       6.61126218      10.65417657       7.47611236       0.15320391      -0.31560150      -0.69111090
Cl       7.29578797      10.51020477      10.83262732      -0.35312689       0.32412651      -0.07768085
Cl       4.18653450      13.41917240      13.24579371      -0.01864649      -0.07208306      -0.18468181
Cl       6.49393866       4.34795116       8.61685572       1.34990337      -0.24659465      -1.12695660
Cl      13.39285550       7.88765635       9.81885188       0.49079856      -0.03133783      -1.23472544
64
Lattice="13.5649 0.0 0.0 0.0 13.5649 0.0 0.0 0.0 13.5649" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.66934698 stress="-0.004608649105310924 0.0009463986993162347 0.000336856207357785 0.0009463986993162347 -0.0014641904141808335 -0.0003857222118816228 0.000336856207357785 -0.0003857222118816228 -0.005859415278018767" free_energy=-220.66934698 pbc="T T T" config_type=density 
Li       6.97937165      10.14803734       6.13056160       0.72649725      -0.46012368      -0.43643083
Li       4.44148738      12.83645131       2.02369317      -0.41869652       0.64329478      -0.00781241
Li       6.97768961       8.88574200       2.47507878      -0.14390914      -0.25383006      -0.70633648
Li       6.39370710       0.06212724       8.12476468      -0.32171190      -0.61445264       0.44534299
Li       7.85459257       7.49999252      11.90943960      -0.31850315       0.28573681       0.57680386
Li       5.92120093      11.51540639      12.98753716      -0.14456196      -0.03103771      -0.03477838
Li       5.14660445      10.45970448       9.45579336      -0.06448411      -0.02524712       0.87985959
Li       8.29511269      10.33954660       9.37737468       0.52067792      -0.31781170      -0.07963543
Li      12.31690207       2.68579594       3.48624712      -0.30011874       0.01653642      -0.00584677
Li       9.31889639       5.17007173       2.29092170      -0.02531466       0.30420082       0.13509108
Li      13.04167468       1.23584107       6.97237216      -0.33409026      -0.09348456       0.43229878
Li      11.12833197       5.80560086       4.90908305      -0.93548654       0.35313394      -0.48136953
Li      10.50567593       3.32498759      13.32245454       0.66410828       0.77759199       1.57318264
Li      10.92008362       2.24307830       9.85981034      -0.46847443       0.25026500      -0.85897280
Li      13.03124327       7.86468485       2.13804528      -0.03303091       0.42554795       0.00077850
Li      11.32373435       8.76628950       8.14956132      -0.48785428       0.63386784      -0.12406796
Li       9.93493276       9.10880322       4.45144402      -0.66512568      -0.29992929       0.17911707
Li      13.03805285      12.75999953      10.49987015      -0.48858037      -0.08988746      -0.46496311
Li       7.79771494       3.35036752      10.87511598       0.21426376       0.70352654      -0.17525486
Li       4.71800787       3.87848977       8.61361655       0.51278496      -0.17419000       0.25383346
Li      13.26141249       9.02494501      10.98699927      -0.45661588       0.22670050       0.63258609
Li       1.85315525       4.78259036       5.45409360       0.47170376       0.47114818       0.17302006
Li       8.84499305       1.62755740       1.93215723       1.66532237       0.56158239       0.77169118
Li       2.25081029       3.41542478       0.90733717      -0.68015689      -0.36072470       0.76691469
Li       8.11651722       2.83056055       6.17894760       1.01954755       0.56337288      -0.08382214
Li       0.03874027      10.77986325       0.51486392      -0.00805089      -0.63653738       0.15061488
Li       5.45005126       2.17985230       1.05523121      -0.86678946       0.03669430      -0.24961344
Li       1.90257218       7.29189338       9.51866667      -0.76805177       0.24524854      -0.66017347
Li       1.75867572       1.39311523       3.86648484       1.14248252       0.09452664      -1.41557555
Li       4.39554307       1.06573179      11.42579666       0.35444280      -0.07529009       0.13069268
Li       4.48142245       5.01057563      11.64149213       0.79310988      -0.06604195       0.36949295
Li       0.23934045       8.74363611       5.77897296       0.45559197      -0.42298152      -0.27493392
Cl       9.50192759       4.11613326       4.32801699       0.11259812      -1.47912469       1.19699854
Cl       0.15735284       1.67487177       5.02190232      -1.20550510      -0.15809112       1.66986757
Cl      12.31497585       0.96156828       9.01824395       1.13704665      -0.96839631       0.10859046
Cl       6.54151025       2.02590425       7.33395814      -0.98657802      -0.10930949      -0.11325028
Cl       3.50040888       4.62325704       7.07977904      -0.65446848      -0.19874176      -0.64711081
Cl       9.23364099       6.90213311       3.68281609      -0.23789571       1.31985274       0.02073881
Cl       9.31893709       9.66752789       6.91579297       0.31768138      -0.59034607       0.02836055
Cl      11.98754630       8.00380647       4.74157010       0.31869973      -0.07196230       0.22628952
Cl       0.62445610       3.14833190       2.51746910       0.38613369       0.95305086      -0.57726879
Cl       0.00135649       8.43510246       8.77497103       0.53130783      -0.39866309      -0.13742085
Cl      11.19953413      10.66655564       9.39415446      -0.40940117       0.05819072       0.12103691
Cl       9.95032892       3.18742594      11.38872379      -0.54288394       0.18098139       0.19059657
Cl       9.55282309       2.91139379       8.17445291       0.16480645       0.10941653      -0.40263312
Cl      10.91212103       5.40539561       0.86769918       0.22862334       0.44195715      -0.76360058
Cl       3.41094836       6.22934120      10.30073742       0.16967716      -0.04597601      -0.06491493
Cl       6.70123694       5.72079310      11.53910427       0.63218876      -0.07916622      -0.02350270
Cl       7.14261166       0.91378864       1.36262133      -0.83462205      -0.31256219      -0.33032326
Cl       5.70024228       3.13666609      10.58357915      -1.32889239      -1.51422767      -0.43043413
Cl       5.89544119      11.42975761       1.59634456       0.57452877      -1.37452445       0.50721295
Cl       7.62371797      10.05932289       4.06422038       0.39241022       0.54674100       0.55430317
Cl       7.24410424       8.16471331       0.46140058       0.19526788      -0.12832407      -0.01147280
Cl      13.43615553       8.12709784      13.49860833       0.13082257       0.18646423      -0.47390643
Cl       6.60149423      11.02778893       8.02632420      -0.09274017       1.00093356      -0.47900116
Cl      13.00045773      11.13404279      11.92389979       0.53214029       0.38466802       0.46684226
Cl       6.71657885       9.35576579      10.93975273       0.02965174       0.69516620      -0.41390429
Cl       1.77625583       7.05854997       5.23057118      -0.35766905       0.03730071       0.05034783
Cl       4.69748418      12.73137759      10.00800688      -0.04900371       0.26183016      -0.13206038
Cl       4.47090965      13.46392288      13.44410674      -0.31216251       0.32450573      -1.69906225
Cl       0.19068044      10.43085194       2.71023989      -0.07115736      -0.07677056       0.09448597
Cl      10.82705554       2.59385305       1.92527982      -0.37659679      -1.40473646      -0.60265798
Cl       3.98394331       3.72083851      13.40066976       0.61324459       0.02115840      -0.19520494
Cl       3.26831344       1.45556803       2.20078294       0.38182180      -0.28270059       0.85032515
64
Lattice="13.6276 0.0 0.0 0.0 13.6276 0.0 0.0 0.0 13.6276" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.11310497 stress="0.0003204318508552787 0.0032031848320427077 0.0024159493152928675 0.0032031848320427077 -0.0035978013879154965 -0.002550611616064845 0.0024159493152928675 -0.002550611616064845 -0.006780248618642183" free_energy=-218.11310497 pbc="T T T" config_type=density 
Li       5.30799108       5.24663963       8.41046413      -0.71248348      -0.69651326       0.08330849
Li      13.31759936      10.29779133       0.65389177       0.07567533      -0.37269398      -0.44009416
Li       8.03096272       3.57006325      10.99442062      -0.54586775       0.11682456       0.05137181
Li       0.02085023       7.47713706       1.92709254      -0.87613045      -0.02663857       1.06998346
Li       4.67005587       5.02344679      12.24422144       0.28038441       0.55997021      -0.63378854
Li      11.32355441       1.79348755      10.26005651      -0.95957968       0.78726294      -0.20329067
Li       7.07677180       9.27577584       1.92258181      -0.30971483      -0.21958069      -0.73185710
Li      11.29841149       2.92171656      13.57589689       0.61505764       0.71891300       1.11842406
Li       6.62609344      10.27305724       5.81394299       0.51947663      -0.15713646      -0.11094618
Li       6.22365678       0.19596489       8.35983759       0.06885898       0.16668511      -0.20453777
Li      10.20853055       6.53405263       4.50746498      -0.21486127      -0.07628461      -0.60267360
Li       7.51627552       7.41702571      11.92746151       0.14598029       0.98255179      -0.19549446
Li       6.68684528      10.55106028      12.52065731      -0.31405342       0.75132209       0.58705442
Li      12.87819102       1.34893480       7.46345495       0.06903606       0.06502986      -0.63748293
Li       5.22749285      10.91136040       9.54646086      -0.22614954      -0.26181656       1.31720852
Li       9.06653767      10.69799306       9.13321752      -1.01127846      -0.06028116      -0.49069059
Li      12.12248609       3.17867858       3.90335347      -0.62163642      -0.01605976      -0.07914330
Li       8.34743648       3.29271434       6.94087737       0.02424213      -0.22225854      -0.07475092
Li       9.12332388       5.24654423       1.89336423       0.28222249       0.55005513       0.27056999
Li       9.66056476       9.68322746       4.35480860      -0.43865340      -0.19750555       0.33993100
Li       5.01055509       2.36291682       1.25547536       0.62970764       0.02306761       1.05702795
Li       1.64730429       6.85529604       9.09719977       0.87030073      -0.53189167      -0.38027050
Li       0.13225845       8.51445634       5.14064415       1.25991043      -0.26715251       0.01620638
Li       2.01467713       3.41117907       1.32535088       0.30448502       0.08730249       0.02361900
Li       4.36530185      12.60811924       2.02327614       0.71000052       0.48288456      -0.55598766
Li      11.55459674       8.53149084       7.56985925      -0.31486070       0.49591363       0.08064336
Li      13.07910273       8.90864830      10.97333872      -0.47815034       0.09325577       0.30824172
Li       1.56879568       1.20725818       3.61260862      -0.01032789       0.06728316       0.21441672
Li       8.76183816       1.65053403       2.65469736       0.13718493       0.18252012      -0.09176549
Li       1.95588766       4.53561960       5.07232900       0.60205290       0.36613053       0.63408151
Li       4.91240911       1.21066644      11.10654851      -0.03603076       1.13681453       0.89496422
Li      12.84622067      12.57777058      11.19268857       0.01750628      -0.09031606      -0.24831884
Cl       0.46824434       9.78127804       2.45915493       0.15652686      -0.06753554       1.60969420
Cl       9.61635682       4.16004294       4.36117269      -0.01059822       0.07920019       0.80427865
Cl      10.75319847       9.56942337       9.46957394       1.05846894      -0.42540003       0.87873375
Cl       9.92894671       2.92391060       8.53502039       0.78103241      -0.14588435       0.06058859
Cl      11.66983173       8.64966939       4.91322677      -0.38691402      -0.62112318       0.28863594
Cl      10.08494185       2.81824219      11.98229897      -0.49834694      -0.35686651      -1.07898956
Cl      12.88571346       0.47132417       9.50758132       0.20325886      -0.29030492       0.33400326
Cl       9.23340764      10.01391480       6.77190876      -0.03974274       0.09189407      -0.45282849
Cl       0.83482678       7.56635695       0.15358305       0.48195175       0.01535822      -2.14521529
Cl       3.65522213       1.25373920       3.02926558      -0.61633538      -0.29064265       0.07819271
Cl       6.20219331      10.85877149       7.83060975       0.07654520       0.52465710      -1.76625418
Cl      10.99743232       2.51520525       2.02613794      -0.53398201      -1.68658749       0.16803708
Cl       0.55956016       3.24663942       3.13680097       1.06959810       1.17537387      -0.88457909
Cl       3.84763021       4.53645088       6.77224945      -0.03228755      -0.38890007      -0.71501641
Cl       0.08459701       1.36778858       5.29593066      -0.74672107      -0.48047017       1.36080240
Cl       3.83671450       3.71368453       0.05314764      -1.37838335       1.24445585       0.70707509
Cl       3.61478904       5.67807582       9.85267303      -1.04116454       1.25955879       0.35945078
Cl       4.63963907       0.97602234      13.45461125      -0.23866984      -2.23064790      -1.68961041
Cl       1.78242194       6.96360821       6.11992349      -0.97951645       0.24973900      -0.57614198
Cl       6.70988955       0.99571831       2.31246744       0.89145384       0.23000689       0.25887718
Cl      11.38714079       5.45469220       1.54021861       0.36857604       0.69870107      -0.17593700
Cl       6.63249841       2.44128915       8.17605578       0.24987470      -0.56674262      -0.85661993
Cl       5.65445919       3.73292670      10.70186330       0.63156905      -1.26504234      -0.02157175
Cl       5.65674862      10.94040081       0.90901543      -1.27066779       1.96176361       1.03807345
Cl       6.81831074       8.73176205      13.52970913       0.94891587      -2.11186532      -0.70303501
Cl       7.43264294       9.80571232       3.83535174      -0.40042025       1.66074043       1.53978459
Cl       8.69803374       7.41130212       3.01254451       0.71656485      -1.14965677      -0.25569168
Cl      12.43070152      10.81768427      12.38040205       0.00598400       0.10378234      -0.32049731
Cl       7.30962660       9.99510871      10.58402544       0.28921029      -0.27276487      -0.47891259
Cl       5.45384729      12.97937595      10.27251214      -0.06190244      -0.15698401      -0.05786399
Cl       6.92391101       5.64182640      12.73680467       0.51840728      -1.10803375       0.47854664
Cl      13.53671754       8.18530892       8.94591979       0.24541051      -0.11743665      -0.17196960
64
Lattice="13.7171 0.0 0.0 0.0 13.7171 0.0 0.0 0.0 13.7171" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.0227237 stress="0.0010937726385777506 0.003775161971206315 0.0006518392644367315 0.003775161971206315 -0.0032950206559399075 -0.0025410977960514253 0.0006518392644367315 -0.0025410977960514253 -0.008211299041070118" free_energy=-219.0227237 pbc="T T T" config_type=density 
Li       7.43654744       9.07018547       1.77917646       0.01697442      -0.02777904      -0.05524564
Li       4.97251734       4.84977672      11.99808675       0.42646311      -0.37997321      -0.02609316
Li       4.39538407       0.73980984      11.51531341       0.59976107       0.41277375      -0.80435597
Li       7.06962873      10.47959006       5.56674211       0.35614215      -0.10257520       0.21616082
Li       7.93380603       9.37187936       8.58874269       0.90194962       0.01912614      -0.16574261
Li       8.06138878       7.72357776      11.39644102       0.16179898       0.09788278       0.22957028
Li       6.49695353      10.61537563      12.34912105      -0.20294772       0.21944610       2.12234461
Li       4.97120049      10.81317621       9.28380187       0.68590952       0.43836547       0.05614430
Li      12.11934591       3.28427154       4.11931372       0.63204235      -0.10191761      -0.48081249
Li       9.36311414       5.35040972       1.79215283       0.60547832       0.01626931      -0.27832865
Li      11.54086837       2.68373690       0.56107328       0.43419460       0.23619393      -0.52945188
Li      13.20734513       0.99694511       7.82520775      -0.26428902      -0.46315911       1.34126690
Li      10.39414624       6.18668644       4.93961001      -0.20932835       0.35158042      -1.06949547
Li      10.95839915       2.11963488      10.16913093      -0.43246387       0.45938972       0.52879972
Li      10.04516950       9.73117136       4.09341583      -0.38217194      -0.65977190       0.51338730
Li      13.58667781       7.42038870       1.75482860      -0.72240367      -0.26515702      -0.47738076
Li      11.35716896       9.04697613       7.74418084      -0.49515789      -0.29676613      -0.43196864
Li      12.77775299      12.50343843      11.21894175      -0.44696304       0.73946635      -0.45540693
Li       8.57316007       3.80133762      11.70496604      -0.36724472      -0.20194046       0.08627188
Li       6.61652549       1.99335525       8.33743170      -0.52904153      -0.51388665       1.13366871
Li      12.51177842       8.52668653      10.96536744      -0.26690085       0.06906316      -0.38320104
Li       5.56715362       2.36726968       1.11715766       0.03371018      -0.17458611       0.06680352
Li       0.35912877      10.40808282       0.34118817       0.28550855      -0.96849005       1.18924153
Li       4.35970589       4.82894045       8.52029436       0.83146798      -0.19651520       0.30810759
Li       0.90201043       8.85360618       4.38394401      -0.14429401      -0.36478895      -0.69513026
Li       1.71910927       6.86912588       8.74654421      -0.36860013       0.19850120      -0.20555081
Li       1.85165761       4.43449152       5.59369621      -0.28257958      -0.06562942      -0.84094610
Li       1.23389018       0.79972065       4.29165536       0.40990900      -0.00258173      -0.20622924
Li       4.36162629      12.74041505       1.66942594       0.53819811       0.31456018      -0.31716142
Li       8.42520743       2.38248195       3.58105471      -0.01635427      -0.11053201      -0.23283367
Li       2.42149338       3.20993857       1.87065580       0.53505090      -0.22613763      -0.32933476
Li       8.97209449       4.16297524       7.64009549      -0.59061463       0.18031376      -0.40573380
Cl       3.84259866       3.33372168      13.70951444      -0.95965346       2.57282921       0.37024178
Cl      13.52647346       1.57850900       5.94570443      -0.36103070       0.06204989      -0.60095307
Cl      10.19379428       3.98262281       4.65052213      -1.26294705       0.56776829       2.56198052
Cl      10.16995396       8.59776854       9.63495963      -0.07128452      -0.25114901       0.44008713
Cl       1.35118647       3.01674693       3.80259959      -0.44795679       1.04902769      -0.14825718
Cl       9.12674107       9.77872855       6.47482784       0.00950453       0.71226999       0.83898234
Cl      10.69512685       2.66506792      12.34052043      -0.07997844      -0.02914789       0.09129463
Cl       2.81354182       5.42808966       7.18603205      -0.79518183      -0.08462904      -0.99346479
Cl       1.14170167      10.37679411       2.34093285      -0.06295839      -0.32356540       0.83585112
Cl      13.41402068       8.39140849       8.52793479       0.72733999      -0.16928498       0.34430778
Cl      13.02348112       8.08981061      13.04857930       0.32189400      -0.64037898       0.78991368
Cl      11.19176817       8.11758774       5.42673167       1.59162459      -0.12830261      -0.14612282
Cl      12.36127440       0.57597829       9.97735216       0.74849216      -0.44944106      -0.73283217
Cl       6.50460767       3.97082611       7.54256691       0.27343966       0.45946906      -0.55810935
Cl      10.56602151       2.59682535       2.33552831      -0.24557034      -1.07954357      -0.33698632
Cl       7.57938361       8.55165165      13.38743694       0.17033690      -0.06284029       0.25604022
Cl       7.45822046       5.61796176      12.25731250      -0.17302939      -0.24245543      -0.04205434
Cl       6.04284893       2.82963197      10.85276376      -0.21797013       0.43922631       0.03753778
Cl       6.44304532       1.39497420       2.94694061       0.70369726       0.53506928       0.25398749
Cl       4.72316789       0.80514988      13.55394881       0.37687836      -2.68528013       0.46043853
Cl       9.37851844       3.50334734       9.64491824       0.11585778       0.05144380      -1.02405975
Cl       6.30468094      11.26874854       0.74672875      -0.86407207       0.54618762       0.35002897
Cl      11.48905888       6.09205217       2.20432425       1.35137385      -0.66237414      -0.50431657
Cl       8.86578696       7.01340234       2.93895726      -1.58668119       0.68634103       0.81881725
Cl       7.89783980      10.21415046       3.63951699      -0.03271902       0.48198738      -0.80089718
Cl       6.40355379      10.56562371       7.62641954      -1.59409921       0.40632617      -0.11299656
Cl       3.58447027       6.49353797       9.80597071       0.63023014       0.27156850       1.45792352
Cl       7.23795127       9.94061776      10.66320716      -0.09828580      -0.27703823      -1.91821396
Cl       5.23928750       0.05569143       9.50342635      -0.30891338      -0.77894630      -0.38093837
Cl       0.81951031       6.63959765       3.58693935       0.56758215       0.37774664       0.66906966
Cl      13.44890326      10.96432494      12.28814854      -0.07934169       0.61695852      -1.49963834
Cl       3.06835066       0.53605329       3.02135588      -0.07978160      -0.60263712      -0.17802554
64
Lattice="13.8756 0.0 0.0 0.0 13.8756 0.0 0.0 0.0 13.8756" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.41979451 stress="-0.0015138333492776429 -0.0005948370782767573 0.004118067212031559 -0.0005948370782767573 5.5878327543749416e-05 -0.0007056228478951976 0.004118067212031559 -0.0007056228478951976 4.573739190090672e-05" free_energy=-219.41979451 pbc="T T T" config_type=density 
Li       7.70678575      10.60492682       5.54611895      -0.06199565      -0.05581616       1.05847253
Li       8.51161218       4.59665327       7.67743886       0.41248870      -0.04728110      -0.25548197
Li      13.30156643       9.85583868       0.51680366      -0.05288876       0.45212039       0.19279911
Li       5.97318216       1.91080888       8.77252896      -0.49901981      -0.08385570       0.13965290
Li       8.05324561       3.96335701      10.91299289       0.24752960       0.13282839      -0.30557787
Li      11.28485897       1.93536869       9.84515447      -0.36761041       0.18505133       0.42709651
Li       8.06159872       9.06182135       2.49461087      -0.00923174      -0.46444200      -0.73038106
Li       9.05170603       1.88801127       3.97533165       0.03977018       0.34123255      -0.03109171
Li      13.25362623       0.96354664       6.84090669      -0.22409967      -0.30577731       0.70097303
Li      12.00228300       6.83684113       4.47907143      -0.29646439      -0.00023070      -0.50130748
Li       9.12252710      10.65791774       9.15951945       0.04504669      -0.46816881      -0.16769791
Li      10.33324257       1.36719894       0.23385242      -0.09806103      -0.13971432      -0.14654285
Li       7.88561448       7.86982405      11.39127095       0.34081809       0.32184637       0.17376714
Li       6.68627700      10.83917470      13.00924916      -0.02816397      -0.49235823       0.74524464
Li       9.37767163       4.48931162       2.31855726       0.59022289       0.48918568       0.20221033
Li       5.63561657      11.55403174       9.07311608       0.17567894       0.49281260       0.26381316
Li      11.80104517       8.67807775       8.16112840      -0.76738307       0.52080251      -0.35592162
Li      12.74514099       2.80438364       2.59418218      -0.30865582       0.43875889       0.46161256
Li       1.10437565       6.89668660       8.52036768      -0.38099842       0.59455050       1.24744577
Li       4.56698723      12.82018024       1.87620313      -0.09027149       0.61574098      -0.30798979
Li       2.34718262       2.73524153       1.16607212      -2.04577175      -0.60374628       1.67679827
Li      10.75947325       9.82901715       4.68591500      -0.49857770      -0.01634694       0.04372078
Li       0.76063958       9.61927358       4.44907238      -1.02924087      -0.51756321      -0.33095130
Li       3.53200623       5.08800214      11.99048874       0.63613180      -0.28588882      -0.38951914
Li      13.06398840       7.88547573      11.75035760      -0.37184931       0.10854612      -0.42463638
Li       4.25410633       1.47816767      12.29776390       0.02262672      -0.07863806       0.10246294
Li       2.09353665       1.98992755       4.41002645      -0.21652371       0.04289708      -0.31951143
Li       0.37084484       6.66793346       1.86858543      -0.66164914      -0.36408230       0.05850694
Li       5.40644716       2.46419556       2.07377780       1.09196561      -0.34825105       0.68082412
Li       1.09141168       5.10895429       5.44918401      -0.58425054      -0.16330825      -1.25629178
Li      13.18903531      12.68116060      10.94078572       0.07021023      -0.10116121       0.34249419
Li       4.62060255       5.23620742       9.07788929       0.10012916      -0.25315578       0.10182049
Cl      13.83512487      11.84658489      12.97568409      -0.35647101      -0.31437875      -0.34519881
Cl      12.43095578       8.73234522       5.70690940       0.84672615      -0.57816749       0.23041764
Cl      10.04476885       3.71280530       9.21772759      -0.37146006       0.25724225      -0.34525284
Cl      10.41208373       8.83201366      10.06934254      -0.47009178      -0.24442828       0.20305796
Cl      10.37044306       1.84166676      11.99262558      -0.07685571      -0.08566288       0.06110278
Cl      12.80740081       0.45401518       9.26246252       0.33019945      -0.19712817      -0.48072971
Cl      13.25559657      10.61773400       2.77012478       0.36160299      -0.31339672       0.01672298
Cl      12.14013708       5.01754184       2.81694106      -0.78159320       0.66151510      -0.13172189
Cl      13.64484877       2.10924383       5.09278922      -0.74556133      -1.41213692       1.75579459
Cl      10.47137417      10.42063110       7.02263542      -0.62064059       0.85031047       0.50232752
Cl       3.62547227       1.53738873       2.82712575      -0.85565463      -1.16109100       1.60008275
Cl       7.88812597       8.55729065      13.50291526      -0.07489284       0.13889832       0.96247792
Cl       0.87592778       3.59971916       3.25940619       2.26322932       1.14442230      -2.06648658
Cl       4.09135942       2.97480376       0.45010643       2.06289876       2.08938450      -3.06912331
Cl       2.07903665       6.13483290       6.92593636       0.98119592      -0.33956376      -0.38796279
Cl       3.04197554       6.28839417      10.11310618      -0.46152625       0.25985208       0.66238166
Cl       0.46711514       7.07298997       4.03066754       1.03019682       0.13555792      -0.18653025
Cl       3.81535986      13.64977461      13.71904161      -0.14125169       0.24495990      -0.48119422
Cl       7.16280673       1.17384801       3.38044305      -0.89912170      -0.38724565      -0.63132517
Cl       8.55051936       4.06889482       4.24769580      -0.13935963       0.22974762       0.92224582
Cl      10.46965360       2.40614004       2.15772518       0.24570422      -0.76988269      -0.39474635
Cl       6.54972722       4.25807475       8.55468204       0.59314936      -0.19360059      -0.84754588
Cl       4.67366285       3.09545210      10.52490624      -0.69639319      -0.43535229       0.91324990
Cl       5.43206151      11.06039339       1.08144484       0.44210723      -0.66924953       0.12542632
Cl       8.69676819      10.67997994       3.76209143       0.44039959       1.43043359      -0.69622400
Cl       9.12564911       7.66488144       3.89328523       0.56513466      -0.73106130       0.06672285
Cl      13.45557171       8.33715426       9.55404438       1.24708379      -0.43744946       0.09542251
Cl       7.14633639      10.80232111       7.73328815      -0.12914062      -0.21840985      -0.38347628
Cl       4.89202316      13.73963300       8.67771699       0.19442830       0.04684042       0.10426347
Cl       7.73252499      10.67959143      11.14445178      -0.32504547       0.56990614      -0.95903057
Cl       6.98834881       5.74440127      11.62228581      -0.10352905      -0.06176147      -0.01707759
Cl      12.99845395       7.17251965      13.84110526       0.46462086       0.54430905       0.10511652
64
Lattice="13.9456 0.0 0.0 0.0 13.9456 0.0 0.0 0.0 13.9456" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.74754309 stress="-0.005271045189626575 0.003156453398673885 0.0006811970452140554 0.003156453398673885 -0.0029614168927461107 -0.0010510700931081769 0.0006811970452140554 -0.0010510700931081769 -0.004081880895712045" free_energy=-219.74754309 pbc="T T T" config_type=density 
Li       7.51641343      10.70639971       5.71483715       0.63859085      -0.31876448      -0.19648276
Li       8.31366944       4.35854388       7.04976577       0.00772516       0.05935452       0.29737666
Li       5.54747601       1.84840561       8.63823933       0.08958534       1.22530901       0.20270117
Li       4.72927371       5.25987590       9.55291729       0.46033020      -0.41629542       0.04815226
Li       8.31191229       4.26541516      10.69716772      -0.26850587      -0.10146136      -0.26129855
Li      10.41011149       1.58628411      13.83616888      -0.23134157       0.28726262       0.88293751
Li       8.01332305       9.62906027       2.01112287      -0.12835791      -0.30017216      -0.08210292
Li       5.67008572      12.76863320       1.93630472      -0.12754031       0.79043622      -0.22668292
Li       0.01673472       8.96847114      11.40798890      -0.18070638       0.10057461       0.95043202
Li      10.83133834       1.80034907       9.88289808       0.03936059       0.58811123      -0.88129965
Li       8.79942258       9.93742538       9.15963743      -0.04373361       0.22592786      -1.08355552
Li      12.14651998       6.95496358       4.63593581       0.12768567      -0.80266541      -0.86917680
Li       8.53554394       7.96176617      12.00032826      -0.13763404      -0.40271419      -0.35676960
Li       6.97680239      11.12174151      12.88526025       0.09061329      -0.31732851       0.81477440
Li      13.41787060       0.87252878       7.51436343       0.00832784      -0.14237564      -0.02078313
Li       5.94863514      11.95192308       9.93162401       0.59675294      -0.62770925      -0.54092610
Li       9.87595317       5.94037934       2.74878932      -0.40932303      -0.22509674       0.22945328
Li       8.64498900       1.64394916       3.32970724      -0.11639543       0.37308187       0.65119615
Li      13.84244440       9.85574600       0.65047578      -0.27819647       0.01504785       0.60335202
Li       5.34604576       2.65564666       1.56805721      -1.04941891       0.65889665      -0.00136129
Li       2.32761826       2.95090291       1.58666064      -0.77664603      -0.07314737       0.60256023
Li       1.75953030       0.70302419       4.56524556       1.10703443       0.41488077      -0.87433568
Li      13.92753529       6.34326772       1.57063715      -0.46321868       0.05598109      -0.51671856
Li      13.16067190      12.46249939      11.20330932      -0.08340019       0.21663828       0.06701579
Li       1.62095287       4.60333100       4.76031661      -0.16042058       0.31391613      -0.15856777
Li      11.79188337       9.35908740       7.85453845       0.55311185      -0.54213052      -0.08143036
Li       4.18010993       1.26258581      12.22976127       0.18192066      -0.17550698       0.12288324
Li      12.29881988       2.92695831       3.48598163      -0.38389209      -0.25976170      -0.13966927
Li       1.47727135       6.88833150       8.90002614       1.67782370      -1.69661622      -0.78919614
Li       0.04678846       9.89221374       5.09545727       0.54231905      -0.06438520      -0.00497931
Li      10.40474243       9.93965667       3.90079350       0.42925936      -0.45086172       0.48415269
Li       3.26580850       4.57608129      12.48103309       0.42717467      -0.30702825      -0.50944593
Cl      10.85768157       1.22845814      11.83418038      -0.28329829      -0.38641533       1.15103198
Cl       9.90766547       3.93395614       9.32097407       0.65540221      -0.60598291      -0.55598158
Cl       8.78603480       7.79782170       3.19814445       0.54339430      -0.24528688       0.27730635
Cl      10.12355730      10.03763846       6.83998211      -1.11989064       0.92867944      -1.12534135
Cl      12.82951969       0.35909920       9.61299494       0.32537457      -0.25363540      -0.52725571
Cl      10.69488064       9.04236888       9.66796849       0.17612328      -0.49061711       1.67861620
Cl      13.80725965       0.73936922       5.29280146      -1.02237879      -0.05870466       0.73132585
Cl      12.80077780       9.96457746       3.41354819      -0.75696404       1.62485018      -2.15186757
Cl       0.21671462      11.20211000      12.83957446      -0.13314766       0.38880341      -0.74766641
Cl      12.68995212       8.48179759       5.86009452       0.02547184      -0.28657914       2.64575008
Cl       3.24592207       1.66550906       3.02467513       0.20706192      -0.67953288       1.00235729
Cl      10.14002705       2.46789705       2.08864646       1.01588190      -0.31744208      -0.75576569
Cl       0.47265404       3.51182283       3.20114275       1.01528310      -0.37229280      -0.69962077
Cl       3.86333562       2.79952342       0.10576789      -0.65434904       1.12884933      -1.23622353
Cl       0.19261663       7.23930042       3.40479035       1.16157133      -0.19141164       0.20821895
Cl       4.65424638      13.56179896       0.06485541      -0.13638939       0.23220535      -0.71982761
Cl       2.23884057       5.85006764       6.33778710       0.07389951       0.12038906       0.87236170
Cl       3.14775900       6.03621350      10.78146887      -0.81809539       1.14261917       0.03832354
Cl       3.93816771       3.05973437      10.71790483       0.15440895      -0.84858663      -0.05090557
Cl      13.64317572       7.95341276      13.55414701       0.09822277      -0.79462423       0.07175789
Cl      11.88148385       5.03317622       3.22148938      -1.00876022       0.95294505      -0.01469504
Cl       6.79177217       1.65673728       2.33261078       1.14413198      -1.52578706       0.65456191
Cl       6.56236705       4.18676198       8.65231044      -0.16038623      -0.61203692      -0.43577294
Cl       7.24227083       5.83256591      11.56917214      -0.09480584       0.83669471       0.50005551
Cl       6.38309636      10.97379264       1.09863297      -0.18778700      -0.32218644       0.04625959
Cl       8.46390539      10.92621025       3.79567157      -0.16340937       1.16014504      -0.23655866
Cl       6.90664207      10.81461756       7.66577081      -0.76718359       0.15920410       1.07847147
Cl       5.23785580      13.85141142       9.28601245      -0.33561698      -0.22117923       0.23569530
Cl       7.72867941      10.76593347      10.91421704      -0.41268329       0.31694339       0.20633072
Cl       8.47428092       8.85111892      13.92397037       0.34961308       0.05328050      -0.39068791
Cl       8.44272202       4.23544607       4.88213143       0.20733646      -0.37446612      -0.10126706
Cl       0.18268736       8.20292743       9.45464265      -1.23691593       1.43976113      -0.01119206
64
Lattice="14.2864 0.0 0.0 0.0 14.2864 0.0 0.0 0.0 14.2864" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.32603712 stress="-0.0015680006919247139 0.0018588318611920168 -0.0011756132598286881 0.0018588318611920168 -0.003935306431354463 4.901308568638927e-05 -0.0011756132598286881 4.901308568638927e-05 -0.0016240454555508143" free_energy=-217.32603712 pbc="T T T" config_type=density 
Li       7.19977414      13.29843829       1.70095307      -0.82764856      -0.32419833      -0.72554427
Li       9.58034555       5.03004143       2.74423172      -0.12645966      -0.49213664       0.31031529
Li       9.75748262       1.57703284       2.52770704      -0.18794308      -0.17051790      -0.06059022
Li       7.34823841       3.66299010       6.15408110       0.46022286      -0.00124062      -0.84267059
Li       5.99423057       2.38452874       9.41268036      -0.81747505       0.06078954       0.06574672
Li      12.31773408       3.76795228      13.08527092      -0.42127445       1.50458492      -0.17558042
Li       8.25688203       4.94532308       9.63883407      -0.06140264       1.02755895       0.26646427
Li      10.04382494       1.82593050       9.20468466      -0.49945544       0.24351104       0.22122308
Li       8.32652823       9.25618713       1.92080648      -0.16753556       0.42998274       0.90490555
Li      12.67467978      13.79330490      10.53043401       0.08007445      -0.13632960       0.75279526
Li       7.66366784      10.67372660       5.82963695      -0.08386258      -0.04292185       0.15227934
Li      13.75624598       1.77619954       7.63892379       0.13438908      -0.71006854      -0.70743091
Li       7.68362594       9.32261889       9.37073549       0.18921008      -0.33970880       0.84725989
Li       6.32628936      12.83161589       8.95944432      -0.09059150      -0.20741840       0.13481010
Li       8.48495012       7.47835894      12.51952948      -0.01474825       0.32506992      -0.41302971
Li       6.95304802      10.96352622      13.43864502      -0.10689405       0.10140495       0.59448685
Li      12.77755615       7.80203162       3.27968599       0.13313250      -0.03726853      -0.92532378
Li       5.66895781       2.27789505       2.72924528       0.42879404       0.28686406       0.19852796
Li      12.70016672       4.08398174       4.04482271       1.00585898       0.50839195       0.20655885
Li       0.08327043      10.74670153      11.08517492       0.59543671      -1.09828267       0.31030316
Li       2.79550561       2.29646737       1.30581125      -0.39404917       0.26264432       0.90562864
Li       3.25219896       4.76172855       9.34494854      -0.06828000       0.77107080      -0.13440759
Li       0.49738102       6.91417472       7.50896041      -0.17760095      -0.28624685      -0.65980520
Li       2.23800742       4.05365171       4.91843607      -0.93469640      -0.02721219      -0.39916907
Li      10.55736387       9.41603766       5.47177692       0.71073175      -0.24325735       0.18704162
Li       1.25250726       7.27156330      11.09318959       0.13778615       0.22343330       0.40415193
Li       3.77843850       4.00686375      12.76172682      -0.33384602       0.60356349      -0.75349795
Li       4.38718200       0.49449802      12.23754452      -0.01821946      -0.20594943       0.65285307
Li      13.72173004      11.32012905      14.07323977       0.75083514      -1.37856969       1.44067545
Li       0.21722757      10.76534528       4.16432845      -0.28651659      -0.40650750       0.46036878
Li       1.01068422      14.28597141       4.03467937      -0.43033912       0.33887341       0.66113688
Li      12.62790611       8.91584223       8.64901513      -0.78686159       0.15866033      -0.60047579
Cl      11.90855730       0.95693022       9.01448982       0.79433286      -0.16055611      -0.15868592
Cl       0.11443406      14.23565099       6.23831371      -0.38044551       0.61179590       1.09652271
Cl      10.81427620       9.71839503       7.89427891      -0.57710377       0.22254984      -0.43448952
Cl      13.02513946       8.72617598       5.08432975      -0.29468462       0.49518084       2.47834731
Cl      12.41369583       1.80642956      13.29298089       0.01786935      -1.16135209      -0.09598906
Cl       0.34887389       2.41588739       4.08971058       0.48215111       0.10463760      -0.41080603
Cl      13.36734160      12.17628443      12.28998989      -1.19119551       1.93833709      -1.81204433
Cl      13.50243380       9.99606550       2.51059193      -0.41890473       0.22942034      -2.12398685
Cl      11.39103246       6.04991895       3.29977267       0.15715360       0.53917610      -0.04770780
Cl      10.28507937       6.25360016      12.35649308       0.66264665      -1.13361135       0.04301372
Cl       3.71490688       3.61353058       3.11173507       0.31983516      -0.54363969      -0.28890834
Cl       4.80857366      13.65579830      14.20186737       0.72156166      -0.61555712       0.24206307
Cl       1.31114722       5.52657955       8.96198730      -0.73686465      -0.14968720      -1.15504932
Cl       0.19118918       5.58233937       5.32772715       0.46628143      -0.13209621       0.37053339
Cl       2.47813323       5.66547193      11.62445795       0.82235282      -0.28443830       1.57987917
Cl       4.13582708       3.31957362      10.47625998       1.14367960      -1.58092378       0.54249482
Cl       3.63903181       2.07758543      13.71151526      -0.16561590       0.69449853      -0.22323162
Cl       1.69736718      12.21982938       4.30440660       0.86944741       0.20804968      -0.31049966
Cl       1.13442159       9.82640022      12.90569087      -0.09122473      -0.11777170      -0.18635717
Cl       7.67833997       0.81566915       2.54725083      -0.18943748       0.48454919       0.21687092
Cl      11.02001465       2.97791436       3.40992081      -0.21781347      -0.61611443      -0.19439994
Cl       7.86649186       3.62337391       3.95043247      -0.46811132       0.57010525       0.12600940
Cl       8.11856110       2.83990774       9.09097920       1.41650242      -0.84162368       0.41841280
Cl       5.46741957      13.92396260      10.55842107       0.29498951       0.39407435      -0.57256495
Cl       7.43267104      11.24932566       1.45977007      -0.20955662       0.04158531      -0.21570019
Cl       8.59521255       9.62286188       4.15429940       0.35261122      -0.10003815       0.75939340
Cl       7.28662117      11.08476061       8.06633002      -0.03325444       0.19332862      -0.67339581
Cl       7.24564777       9.63681969      11.81701005      -0.26531201       0.29590492      -1.01601500
Cl       8.15194842       7.19400244       9.97822179      -0.18483745      -0.66572266      -0.62678963
Cl       8.74273392       8.60498445       0.10143344       0.48667453      -0.78226601      -0.39522013
Cl       5.94901411       4.01946435       7.61197964      -1.43535325       0.49005670       0.01690287
Cl      14.09659089       8.32434241       9.93576261       0.06085452       0.63357933      -0.22860949
64
Lattice="14.1313 0.0 0.0 0.0 14.1313 0.0 0.0 0.0 14.1313" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.9712983 stress="-0.00026413040516637653 0.0007441558717818984 -0.0006209180854875199 0.0007441558717818984 -0.0025726900121297793 -0.00016243719114441342 -0.0006209180854875199 -0.00016243719114441342 -0.0034116591323562527" free_energy=-217.9712983 pbc="T T T" config_type=density 
Li       8.01896163       9.38263208       2.03492133      -0.39792895       0.15653595      -1.41889615
Li       9.03606195       7.71219937      12.26548794      -0.00941307      -0.17274479       0.44650979
Li       9.24680202       5.73487722       3.81333130       0.92348956       1.23048481      -0.39790115
Li      10.79860247       3.41636896       0.00056525      -0.09963802       0.23506198      -0.50585555
Li       7.05690273       3.75382440       6.00937772      -0.19594950      -0.06833912       0.11963625
Li       6.49347366       2.04506760       9.91105791      -0.47755287       0.38855382      -0.25677800
Li       9.21121941       5.25793171       9.89516020       0.33896011       0.47459279       0.63548752
Li       6.02174261       2.96916984       1.07530149      -0.50436909      -0.36405669       0.03128827
Li      10.13444550       1.46004592       9.72496282       0.43434401      -0.14470743       0.52497173
Li      12.10447590      13.50996087      11.69161584      -0.33571126       0.56971040       0.19890447
Li       5.51431589      13.43192783       1.71100367       0.51658478      -0.18209967       0.12392685
Li      13.03967121       3.37818618       3.19464886       2.31555635       0.05186605       0.62928664
Li       7.70800237      10.47510875       5.73826873       0.00370950       0.21179337       0.47744793
Li       8.01583861       9.27102307       9.15763352       0.06170708       0.07542577       0.35605745
Li       5.71570104      12.43114917       9.04674521       0.21833264      -0.68715039      -0.13145819
Li       9.50486782       1.94545607       2.65457884      -1.00674250      -0.55038669       0.12852504
Li      10.75396169       9.00566552       4.69214272       0.35971264       0.36615112       0.58375471
Li      13.52936315      10.72350874       0.35626562       0.75942014      -1.07160751       1.07166665
Li       0.14410252       6.46177716       5.68845590       0.38251441       0.06043053      -0.20607138
Li       2.38961696       2.56399720       1.07050957       0.86219290       0.03931833       0.90167258
Li      14.03766601      10.29110509      11.30296270       0.26391381       0.03987294       1.33963310
Li       1.14056407       0.04026997       4.63871228      -0.06110360       0.27537351       0.53978593
Li      14.06054458      10.32408755       5.09477172       0.07519343      -1.02987581      -0.15473917
Li      13.76599176      14.00362370       8.80379990       1.30182545      -0.07543127      -1.24911388
Li       4.24102923       4.68454008       9.25885602       0.58209891      -0.35845526      -0.87213354
Li       2.46602490       4.23663440       5.11794705      -0.13213567      -0.49594184      -0.66302133
Li       6.69176406      10.30735609      13.37001861       0.15564334      -0.90274297      -1.03707325
Li       2.75257940       4.83598522      11.93165010       0.70936481      -0.44784087       0.06446928
Li      12.52652131       9.48416547       8.14313336      -0.25362269      -0.31535034      -0.64817689
Li      13.37581244       7.27316814       2.07536511       0.18754716       0.48678242       0.47517935
Li       1.37024433       7.42389259       9.40887390      -0.37930249       0.25250701      -0.40127171
Li       4.39117429       0.83985283      12.18171759      -0.09235223       0.44176279      -0.30486464
Cl      13.02972277       8.54005332       5.81453535      -0.20425667      -1.04073987       2.04724566
Cl      11.11154011       2.10701922      12.39777104       0.17522662      -0.56527321       0.22614877
Cl      13.51797332       9.22523766       3.16514271       0.06995098       0.16198166      -2.10942127
Cl      10.51778528       5.95324820      11.88650060       0.90269606      -1.45505191       1.63214041
Cl      11.81009266       0.14032127       9.51737402      -0.02492096      -0.60089047       0.21734496
Cl      10.47129330       9.83014209       7.62876817      -0.56987674       0.19214787      -0.18877142
Cl      11.06227840       3.23442847       3.01930769      -0.43165015       0.61067705      -0.60474464
Cl       9.12689794       7.48262227      10.14870398      -1.09296237       1.10279307      -2.31339593
Cl      10.35879402       7.64178310       3.11168400       0.58774722      -1.76552366      -0.65060783
Cl       4.45797295       2.58609856       2.58967378      -0.71272952       0.09179069       0.76583695
Cl       6.54950427       9.55468066      11.10048943       0.04818040       0.45610075       0.10633004
Cl       0.99832689       2.34448159       3.81898382      -0.29442346      -1.09200076      -0.31568402
Cl       0.97388963       5.31818757       3.77311363      -1.14167532       1.15700284      -0.87161228
Cl       1.91450852       5.35245598       6.84059492      -0.22090390       0.43963008       0.76312662
Cl       2.83247777       6.10277148       9.96581670       0.10947996       0.07597922       1.03552733
Cl       4.28875063       3.08195174      10.65289464       0.02370604      -0.40589181       0.42599748
Cl       3.75102640       3.48248931      13.73384306      -0.74763793       0.75456933      -0.44503095
Cl       0.11596328      12.23622201       4.64289514      -0.21946175       1.20063532      -0.94786726
Cl       1.37326702      13.68749239       7.05977138      -0.30993930       0.55636091       1.06647564
Cl       1.11530437       9.34898545      13.78552122      -0.65103349       0.07895024      -0.41622557
Cl       0.12664400       9.22984446       9.48501335       0.10984243       0.03738390      -0.26529690
Cl       7.52959471       1.50581720       1.95109446       0.60608196      -0.27465678      -0.16453518
Cl       8.00521187       4.18840427       4.11305618      -0.70710384      -0.70943023       0.25157153
Cl       5.04343271       0.44954633       0.03063185      -0.32604050       0.06464484      -0.53013230
Cl       6.17055933       3.59014155       8.00418029      -0.26283289       0.17160492      -0.27230221
Cl       8.93817443       3.09667656       9.65184748      -0.80793608       0.07997256      -0.10974108
Cl       6.56055494      11.49805943       0.91880865       0.02201190       0.36380920       1.11233562
Cl       8.42325812       9.63871950       3.96593521      -0.05401126       0.74491477       1.60911730
Cl       8.21911736       8.35268641       0.15968510      -0.10404226      -0.01605311      -0.39217094
Cl       7.06868823      11.02942312       7.74198815      -0.31863273       0.23210833       0.20012077
Cl       4.98268225      14.06102505      10.20230400       0.40489487       0.15659615      -0.07369673
Cl      13.13931100      11.92377897      12.84682136      -0.36403642       0.70636516      -1.18893123
64
Lattice="14.6499 0.0 0.0 0.0 14.6499 0.0 0.0 0.0 14.6499" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.49134001 stress="-0.0015205057971596136 0.0008057920788754029 -0.0007367525743888324 0.0008057920788754029 -0.004359205626476209 0.003653642622170511 -0.0007367525743888324 0.003653642622170511 -0.004997478271778812" free_energy=-216.49134001 pbc="T T T" config_type=density 
Li       7.10080653      11.64220228       3.30898756       0.07969800      -0.58781471       0.31005930
Li       9.31799565       2.00719745       2.17931912       0.30316102       0.17254156      -0.23293064
Li       7.94781980       3.64356198       6.23539299      -0.50582890       0.15545916       0.22948406
Li      10.50919366       4.47238007       0.52974038      -0.92912153       1.05828528      -1.59835334
Li       5.96199655       1.18418658       8.73659971      -0.40923101       0.31537194       0.77233363
Li       4.67785957       4.36345807       8.63838678       0.59322829      -0.80762452      -0.24282111
Li      10.05293718       6.09422655      11.82715727      -0.13027253      -0.30706823       0.00196764
Li      11.21868832       1.71938551      12.23502513      -0.66997099       1.10672417       0.03930818
Li      13.81775638      14.62516496       9.67412006       1.37084764       0.52469007      -1.72494997
Li      11.22125205       5.20500692       4.20664554      -0.88810224      -1.33053366       0.41839347
Li       0.26223321      10.02031185      12.23817486      -0.36094195       0.19553206       0.02856762
Li       5.14253975      14.16752274       1.05545498      -0.18975228       0.53382358       0.04429360
Li      13.29317276       3.42152809       1.95896998       1.15755944       0.02395339       0.02813814
Li       8.01324625       9.40470840       6.73844125       0.25452787       0.11056199       0.60791399
Li       5.71970186      12.36054548       9.67746024       0.45339491      -1.04488202       0.15293066
Li       8.34216581       8.22649020      13.88621536      -0.07137056       0.07692545      -0.18786763
Li       6.53770832      11.32633579      13.92930072      -0.14769520       0.36534312      -0.77417042
Li       5.21414846       3.14272585       1.34127306       0.57424018      -0.52045623      -0.02610373
Li       8.69569719       9.58709966      10.23926926      -0.73681922       0.46191972      -0.20615271
Li      11.23995998       9.16286785       4.16483472       0.44790288      -0.56043244       0.64653449
Li       2.41538761       2.47863123       0.15445683      -0.32824346       0.38010547       0.98503364
Li      13.17896214      10.90428682       0.71318936      -0.19378851       0.47086293      -1.06013816
Li       2.36568050       8.28243816       6.32884470      -0.50930312      -0.20761656       0.63439290
Li       0.04731918       8.31500489       2.83236772       0.04092122      -0.16155712       1.27943046
Li      12.50799672      12.93618400      12.28668068      -0.52977523       0.21096309      -0.07137553
Li      14.32811495      11.44438468       4.31770643      -0.00052989      -0.69691134       0.38947039
Li       2.80665714       4.04252271      11.58465747       0.39470025       0.33052004      -0.90289719
Li       3.79491010       0.68582042      11.96246374       0.75748531       0.00042068      -0.63406228
Li       2.38063805       7.31566196       9.68589858      -1.25229712       0.29303619       0.77145171
Li      12.68609555       7.75290288       7.45526086       0.63677120       0.15737347      -0.31297707
Li       1.61462408      14.51891158       6.34428569      -0.49911279      -0.21983935      -0.11963641
Li       3.32561520       6.17456660       2.91632629      -0.53292411       1.28144220       1.26460256
Cl       9.69272544       8.37167071      11.64974698       0.25655371       0.18616673       0.17295147
Cl      11.27658473       3.29277012       1.95489731       0.18189285      -0.14240457       2.79708927
Cl      10.64391414       8.50527779       6.39044753      -0.27902907       0.12631502       0.28543026
Cl      14.09282290       9.26156423       5.17437398       0.12112080       0.31138901       0.70942655
Cl      10.18179770       2.53783148      14.15174480      -0.26858741      -1.13247890      -1.15012970
Cl      12.19114868       6.92077391       3.80120955       0.51434304       0.79316749      -0.85358024
Cl      13.35256346      10.18039131       2.54262199      -0.40531555       0.03237278      -0.06807643
Cl      13.32915292      11.34305132      13.23375277       0.42594343      -0.74528455       0.29792376
Cl      10.19461636       4.01729558      11.08385064       0.42444288      -0.29608982      -0.20568655
Cl       3.76533195       4.78952111       1.59581361       0.74178619      -1.08878636      -1.15374010
Cl       6.31586489      11.28251794      11.55502073       0.24197615      -0.40562670       1.50560939
Cl       0.76110479       3.52987876       1.73012389       0.02540558      -0.32839801      -0.30428130
Cl       4.39231837       1.26261335       0.15983920      -0.05884196       0.13958547       0.30042313
Cl       0.45165056       0.94767273       7.95335746      -0.11629966      -0.53007820       0.28269008
Cl       0.32269188       7.36044671       8.20558479      -0.93116751       0.11469196      -0.10439144
Cl       3.34625691       5.34423957       9.81335271      -0.92180002      -0.43777513       1.85785238
Cl       4.33774749       2.19036515      10.03705669      -0.16842293       0.73814930      -0.52802270
Cl       2.58551690       2.26639813      12.71042904      -1.57731269       0.29592534      -0.25702042
Cl       2.31078733       7.83372638       4.17170552       0.06649957      -0.35060542      -1.10596667
Cl       3.53538712       7.56387522       8.06635214       1.64303056       1.30957591      -2.16804366
Cl       1.19672250      12.91551299       4.65345284       0.32042124       0.62870633       0.27359768
Cl       1.68717038       8.81226645      11.53568286       0.53688325      -0.44965308      -0.11816818
Cl       7.35080707       1.35657781       1.86951769      -0.56438089       0.72151951       0.18373630
Cl       6.52604700       3.20078340       7.72171324      -0.30493175      -0.14357125       0.05270462
Cl       9.72583421       3.50264459       5.33536173       1.25488154       0.25050607      -0.93658726
Cl       9.27328415       6.18991970      13.98608373       0.19668125      -0.35048554       0.79463262
Cl       6.55454106      12.96038563       1.82136347       0.33592123      -0.80206472      -0.40251471
Cl       7.95636069      10.67212985       5.02838773       0.12993337       0.16898698      -0.47205528
Cl       6.96046049       9.62476455       0.41891682       0.43011574      -0.64899737       0.35701306
Cl       7.30767777      10.60482821       8.78913426       0.44717500      -0.34187278      -1.09652021
Cl       5.22948690      14.11952967      10.69693213       0.11050795       0.06840240      -0.19565215
Cl      12.46431072       0.00849694      11.14850065      -0.98878349       0.52759271       0.73948617
64
Lattice="14.1683 0.0 0.0 0.0 14.1683 0.0 0.0 0.0 14.1683" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.29812574 stress="-0.0024985406715029757 0.0006423168561067547 -0.00042763878283150143 0.0006423168561067547 -0.000679978059757243 -8.732496666325092e-05 -0.00042763878283150143 -8.732496666325092e-05 -0.00011225184393852816" free_energy=-219.29812574 pbc="T T T" config_type=density 
Li      13.86638770      11.13809734       0.53162154       0.84498926      -1.38089491       1.31160085
Li       8.01898860       9.11976633       2.16570966      -0.27207175       0.10649166      -0.38056098
Li      10.32706135       1.56702815       9.67115407       0.91826991      -0.51844948       0.39841734
Li       7.61233006      10.22442618       5.70665120       0.33630575       0.11444468       0.34564920
Li       9.01014620       5.13470527       9.87744451      -0.06791328       0.49418449       0.61620972
Li       6.47664163       2.17226959       9.83437288      -0.99730493       0.04714037       0.36729759
Li       9.99909354       5.62658614       3.11048025      -1.32418725       0.10828035       0.49338634
Li       7.48628886       9.78994109       9.23730655       0.49291933      -0.69936743      -0.25839527
Li       7.24831809       3.75904835       6.38246494      -0.15272044       0.03437896      -0.06582796
Li      11.62870307       3.78830589      13.65475580      -0.09891433      -0.07321644      -0.25804453
Li      12.74150969       3.75862330       3.81489978       0.40872768      -0.02895766      -0.02286680
Li       5.80308065       2.65498357       1.88057263      -0.71105624       0.10856873       0.12012311
Li       1.23981834       7.12862429       9.82169225       0.13903809      -0.13203616      -0.06524376
Li       5.81920418      12.24306889       9.01904389      -0.42864123       0.43818053       0.78194558
Li      13.18912879       8.03198093       2.12582590       0.29055848      -0.25009519      -0.13543649
Li       9.47111184       1.69856665       2.20753449      -0.02697749       0.60604414       0.23438327
Li      12.16826027       8.97145257       7.88523985      -0.26057058       0.11133643      -0.33826130
Li       3.01568015       4.85367704      12.07652052       0.30023109      -0.61377146       0.55551988
Li       4.40568956       0.83271491      12.13011920      -0.40452723       0.90628456       0.12707731
Li       9.06901548       7.85044251      12.04516608      -0.22259473      -0.10973568       0.20223987
Li       0.32425713       6.65659321       6.02811576       0.13449131       0.27171397       0.11361696
Li       4.26047865       4.72354120       8.94821656      -0.11306187      -0.50455471      -0.43031300
Li      14.16002571      10.47449668       5.27390881       0.31943222       0.74243780      -0.57698623
Li      10.97112393       8.78570616       4.72943521      -0.25528151      -0.11426129       0.28497627
Li       2.02402666       3.81847020       4.44839281       0.16847364       0.92199425       0.61560170
Li       6.66020613      10.80670081      13.38749916       0.04073243      -0.67238326       0.03581790
Li      14.02827469      10.09372361      11.62391418       0.49569669      -0.55452270       0.38717818
Li       1.12991767       0.16064869       4.66997086       0.74876150       1.12890292      -0.50419985
Li      12.82358665      13.32969249      11.36928149       0.32192648       0.39583416       0.36713806
Li       2.70458679       2.41018368       1.36769859       0.16552478       0.57816197      -0.49930528
Li       5.43300465      13.16264823       1.42643611       0.04294585       1.00872926      -0.02931802
Li      13.36130197       0.46381772       8.08742149       0.29208042      -0.04966561      -0.73495613
Cl       3.60356542       2.79384708       3.36015403       1.25999795      -0.25416801      -0.41460745
Cl      10.08826882       5.81570461      12.11716938       0.36343756      -0.89294842       0.04107551
Cl      12.24255883       0.55129847       9.87218807      -1.17354992       0.35841507      -0.15565924
Cl      11.53590070       6.99547061       3.15511039       0.12246447       0.89355244      -0.01184344
Cl      10.11110812       9.86075426       6.98905237       0.51053591      -0.12400277      -0.01742452
Cl      13.26715362       8.51983801       5.45679323      -0.46376619      -0.20283930       1.33976743
Cl       0.31000240      12.79903298       5.54732867      -0.96285860      -1.89619913       0.57303310
Cl      12.39026336       1.77316275      13.03769800      -0.35022929       0.28537443       0.34270729
Cl      10.77914346       3.83195842       2.51470323       0.82536031      -1.74175537      -1.07200047
Cl       8.48392137       8.52364928       0.04967278      -0.07254265       0.41976391       0.16932266
Cl       5.37882508      13.74456865      10.75429226       0.76204651      -0.54744208      -0.80211384
Cl       0.66181404       2.21270592       4.32946410      -1.30247413      -1.23463871      -0.33243489
Cl       0.12740787       5.09606831       4.65532084      -2.58685732       0.25391268      -2.71412238
Cl       4.62528404       1.31557483       0.16776117      -0.13587886      -0.66513531       0.50202564
Cl       2.73188910       4.47549677       0.06130213      -0.21853892      -0.26372629       0.28031755
Cl       1.87657717       5.24914263       6.54194333       2.38773352       0.18769247       2.36872911
Cl       2.85129953       5.63701401      10.07485144      -1.22608436       1.36003929       0.37126918
Cl       4.38076752       3.02036986      11.16126251       0.47316430      -0.36909410      -0.07582095
Cl       0.07295541       9.77641037       2.76756488      -0.03844866       1.04532174      -0.31679449
Cl       1.01594929      14.00661136       8.72642599       0.86205224      -0.34312799       0.33746750
Cl       1.03997447       9.22581606      13.55533684      -0.53712481       0.06404872      -0.38913133
Cl       7.33616155       1.16052970       2.25491328       0.37714224      -0.60804924      -0.05844219
Cl       8.31924322       3.80519450       4.51668402      -0.04256534       0.28967000       0.15069288
Cl       6.02753486       3.84966879       8.26350512       0.54661019      -0.06439049      -0.73377394
Cl       8.60547121       2.59812618       9.44457461      -0.00142941       0.69951312       0.00434503
Cl       5.96168060      11.13853656       1.80015336       0.42288040      -0.29417228      -0.58388249
Cl       8.36455344       8.80173050       4.32388179       0.31876561      -0.41851374      -0.57258460
Cl      13.54343547      11.93614101      12.88486454      -0.64782570       0.85610223      -1.33276973
Cl       6.52752000      10.95108995       7.47665441      -0.06634689      -0.05970731      -0.05480423
Cl       6.73429217       9.86644991      11.23296828      -0.45590558       0.93295329       0.81916603
Cl       8.53710917       7.64792083       9.87485171       0.11976733      -0.41095695      -0.84206315
Cl      13.79819567       8.62502347       9.51788140      -0.19481393       0.32331085       0.12189090
64
Lattice="14.2464 0.0 0.0 0.0 14.2464 0.0 0.0 0.0 14.2464" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.79756762 stress="0.0006422950545153781 0.0012258397760287678 0.0016272754053159133 0.0012258397760287678 -0.0017267116709134293 -0.001486349956105913 0.0016272754053159133 -0.001486349956105913 -0.0002904958753970604" free_energy=-218.79756762 pbc="T T T" config_type=density 
Li       5.49710166       2.36840701       2.95134121       0.30969934      -0.10586515       0.21291350
Li      13.49038629       1.59613816       7.88300325       0.66218226      -0.83630021      -0.72866343
Li       8.98075960       5.10917219       9.93001148       0.07349706       0.70588174       0.60238472
Li       6.17525879       2.25130161       9.62951217      -0.14682507       1.00756526      -0.26795028
Li      10.07935649       1.48218121       9.21971447      -1.39448727       0.82147239       0.31390472
Li       6.66613275       3.21793409       6.20332420      -0.12961973       0.15051497       0.69187066
Li       9.08623995       1.71699037       2.82983366       0.17655293       0.50987907       0.06826227
Li       6.67895451      13.16066761       1.47458788      -0.64608512      -0.30201000      -0.79854541
Li      12.84107812       3.86289711      12.55218962      -0.59928702      -0.22578576       0.02652532
Li       7.61618243      10.93047917       5.88457524       0.25283531      -0.22583948      -0.15539771
Li       9.74160284       5.16347946       2.55752797       0.20539642       0.00182272      -0.07094491
Li       1.45502757       7.31659488      10.91231501      -0.26761891       0.25550257      -0.28559176
Li       0.25241487      10.38254838      11.48677260       0.28754969      -1.18167042       0.53184283
Li       7.34904818       9.08398902       9.10990322       0.31777172      -0.09765135       0.50190672
Li      13.02441504       7.67672963       2.66493158       0.79074578       1.48285574       0.07109387
Li      14.24396287      11.60342212       0.44422840      -0.24980717      -0.83152472       0.15307105
Li       6.41452708      12.79427869       9.02040733      -0.36638967       0.41471665       0.78021322
Li      12.93403588       4.45365258       3.82695345       0.00309650      -0.06864962       0.11935259
Li       3.71768356       4.34288682      12.50727072      -0.11390959       0.09403432      -0.52818425
Li       4.63986728       1.02396997      12.36192895      -0.17731745      -0.08275069      -0.21549369
Li      12.15534190       8.88988182       8.84588893      -0.08256185      -0.11047080       0.02036557
Li       1.58843086      14.21703874       4.74071754      -0.68749416       0.02002882       0.51068871
Li       8.77014083       7.61433039      12.29059722       0.12313010       0.02498140      -0.05676714
Li       0.12461340       6.51121740       6.70994043      -0.14488573       1.03264346       1.05486552
Li       3.63875850       4.96514108       9.12905038      -0.07785610       0.08924148      -0.09738790
Li      14.24007460      10.52686441       4.79002433      -1.09977619      -1.25064557      -0.15418904
Li      10.46611776       8.53151363       5.10592401       0.64906693       0.33108338       0.06082335
Li       6.34349453      10.31264129      13.34505876       0.41576843      -0.23027654      -0.35829618
Li       2.07666924       3.80856134       4.68592589      -1.30007818       1.04985773       0.80003399
Li       2.54548977       2.80428987       1.47259338      -0.26583103      -0.30167137       0.59937333
Li       8.38075822       9.69812283       1.98140356      -0.15187773      -0.56377261      -2.15831341
Li      12.85590862      13.64279428      10.45851018       0.29650913       0.06580458       0.52837887
Cl       3.17282999       2.36849249       3.77063743       1.69109376      -0.95247914      -1.17934652
Cl      11.86202277       0.64122619       9.01307044       0.63430050      -0.26186055      -0.41624732
Cl      10.97827584       3.29540602       2.71898243      -0.42404624      -0.37934280       0.02926253
Cl      12.72516941       1.69081974      12.58058269       0.12197286       0.37547650      -0.25699329
Cl      10.06288765       5.79411060      12.41181984       0.54147176      -1.08490530      -0.12389120
Cl      13.00201970       9.97923279       2.29251644       0.03386505       0.34435989      -0.34796396
Cl      10.48472356       9.12202691       7.42073606      -0.32696851       0.01273801      -0.25110196
Cl      13.00419940       8.61214825       5.13233683       0.23810405      -0.36010612       0.86670961
Cl      13.59334502      12.19397814      11.86035594      -0.35453243       0.67393889       0.18679491
Cl      11.30430470       6.67020722       3.18556627      -1.17254084      -0.79861768       0.31051834
Cl       5.37949763       0.29418816       9.71014679      -0.00067652      -0.51978989       0.19342665
Cl       8.46535334      10.25135328       3.86795459       0.38605910       0.23821509       2.52329467
Cl       8.74602167       7.54798491      10.09509876      -0.10215313      -0.68884621      -1.14075777
Cl       0.67993081       5.66901297       5.00937615       0.26930327      -0.46772269      -1.90459954
Cl       0.09732756       2.69558984       4.28555931      -0.35700824      -0.63462337      -0.10298812
Cl       1.88410065       6.22854033       8.06299227       0.03087597      -0.18460804       0.23394689
Cl       0.21162600      13.79036134       6.89923235       0.00091062       1.19949847       0.47105397
Cl       3.14889604       6.18668440      11.14384750       0.81581321      -0.20911828       0.86149983
Cl       3.98054388       3.16590624      10.57879254       0.28003576      -0.60375902       0.37332360
Cl       3.37467299       2.49574134      13.80446243      -0.04967369       0.52045932       0.17187138
Cl       1.02940497      12.13924347       4.29980571       1.21449025       1.08551699      -0.92166037
Cl       0.77782067       9.66914565      13.84013541       0.29522968       0.06276784      -0.85688821
Cl       5.00547264      13.81258287      13.95801012       0.24529102      -0.22331435       0.01502081
Cl       7.10939524       0.86114644       2.13807122       0.30136181       0.74711582       0.46277256
Cl       7.37217009       3.51366086       4.26494477       0.09549046      -0.02948294      -0.86640326
Cl       5.72757992       3.97825021       8.00131960      -0.55185753       0.28064620      -0.38033595
Cl       8.50230851       3.06891675       8.96279489       0.62260057      -0.45407093       0.24753454
Cl       6.70984070      11.04161533       1.17003831      -0.20975668      -0.00189567       0.16937061
Cl       7.06011694      11.12269160       8.06514348       0.37270474      -0.63388864      -1.37962897
Cl       6.97324239      10.00305277      11.11479909      -0.54574944       0.50085564       0.64661225
Cl       8.30300137       8.42727272      14.21302068      -0.19225722       0.12062280       0.74413571
Cl      13.84101869       8.15443991      10.26716678      -0.56584760       0.68321816      -0.15048809
64
Lattice="14.3402 0.0 0.0 0.0 14.3402 0.0 0.0 0.0 14.3402" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.06294955 stress="-7.874885225637666e-05 0.002603782607885624 -0.00027712820436631854 0.002603782607885624 -0.0023145084267603365 -0.0008818539177625229 -0.00027712820436631854 -0.0008818539177625229 -0.0017265655634263017" free_energy=-220.06294955 pbc="T T T" config_type=density 
Li       7.14412990      13.42746061       1.65709615      -0.42240552      -0.78567480      -0.37472393
Li       8.17652392       5.35138979       9.95422115      -0.26732863       0.03213965      -0.12099108
Li       8.48258680       9.29927554       2.29400179       0.19615757      -0.04869406      -1.82085167
Li       7.28572503      10.72603939       6.13780636       0.18684184      -0.29848946      -0.69462050
Li       7.47421262       9.79743974       9.61576375       0.14175935      -0.59471510       0.38926088
Li       5.66564094      12.43987972       9.63497962       0.07662431       0.18915914       0.45166518
Li       9.01450784       7.61992339      12.54469224       0.01612564       0.13447469       0.63583749
Li       7.50531652      10.53978888      13.77493800       0.07218760       0.05683051       0.21445665
Li      13.50833934       4.15276418       3.57734931      -0.40684716       0.89392717       0.12860926
Li      10.29322348       4.82979370       3.72681722      -0.80046346       1.06517663       0.23073671
Li       9.76633585       1.96529573       2.68577606      -0.66256126      -0.30717189      -0.03592168
Li      13.46600707       1.08439015       7.97626302       0.24414512      -0.30097827      -0.79500581
Li      10.05506144       2.01105531       9.36017836       0.26536069      -0.06954934       0.31205848
Li      11.42797784       4.20469004      13.31543497      -0.20492483       0.36376345       0.34606402
Li      13.64764004       7.86125462       3.16719091      -0.19101128      -0.29354410       0.58329202
Li      12.38836972       9.07024820       8.25563880       1.16211743      -0.47258773       0.52484299
Li      10.66768912      10.06205945       5.27200245       0.23792962      -0.03648405      -1.61209538
Li      12.46425806      13.72869085      11.05547681      -0.15040799       0.50503633       0.18294382
Li       6.42072417       2.01689177       9.46447464      -0.30284252       0.33106703       0.48081212
Li       6.89367830       3.92577315       6.24660546       0.33947644      -0.04253102      -1.19636589
Li      13.27675945      10.24836733      14.04718669       0.34360367       0.06585732       0.00928759
Li       4.66110993       0.65366217      12.20014025       0.38574228      -0.13651633       0.41956863
Li       2.92512834       2.12163259       1.73063270       0.27599652       0.41650523      -0.02067886
Li       1.17551495       6.80019454      10.56709262       0.42321265       0.26467589      -0.12194144
Li       6.24889989       3.09290868       2.07134151       1.57724959      -1.01078353       0.04111602
Li      13.85982624      10.04519538      11.15225882       0.17056084      -0.21034104      -0.53305401
Li       0.79140696       0.52804345       4.10785067      -0.15698114      -0.35664647       0.50050873
Li       2.66677529       3.57172795      12.82522957       0.19432506      -0.17185590      -0.30007198
Li       2.59564790       4.90483597       4.01942900      -0.17280914       0.11438363      -0.13716712
Li       0.48039383       6.95588609       7.37433313       0.68055611      -0.36763993      -0.62845344
Li       0.53573266      11.12092548       4.20826075      -0.74480744      -0.60757592      -0.05857609
Li       3.31761961       3.97693899       9.38851460      -0.09054156       0.86144382      -0.35631595
Cl      12.04282826       6.19466526       3.64893559      -0.28300449       0.37166542      -0.01627116
Cl       0.75277016       6.25867991       4.58681335       0.50807575       0.11466389       0.26604966
Cl      11.79379635       0.59731665       9.25549490      -0.23204736      -0.08451365       0.12033451
Cl       7.77766559       0.96837937       2.09719689       0.74018835       1.63727899       0.50214602
Cl       2.28773513       4.99368785      11.15228750      -0.31223637       0.01166229       0.87972230
Cl       2.43677283       6.02274060       8.16153841      -0.22535853      -0.13262411      -0.31063349
Cl      13.87204983       9.34606761       1.61817685       0.14430994       0.41194576      -0.75297061
Cl      10.82481469       9.63110776       7.22057750      -1.74159540       0.30990824       0.93114429
Cl      13.05663738       9.59743697       4.76427333       0.16866261       0.38303117       0.32799509
Cl       1.09165490       3.12943317       3.52523703       0.71195780      -1.24958177      -0.34050586
Cl      12.89855101      11.82508666      11.93114678      -0.38858524      -0.20834148       0.40478627
Cl      12.35220373       2.60293272      12.61081490       0.73325114      -1.36037458      -0.55763511
Cl      10.30132569       5.89200099      13.16939437      -0.31473621       0.44115222      -0.05775669
Cl       5.94384082      13.65426521      14.25576490      -0.76436815       0.17388450      -0.97447430
Cl       6.30613163      14.29713638      10.70488760       0.31046947      -0.28093348      -0.62343399
Cl       7.74802440       3.60939966       4.15759683       0.39315355       0.39558368       0.20479836
Cl       6.17593695       4.13505403       8.13191155      -0.45966254      -0.04562728       0.72867342
Cl       8.54472289       3.25012029      10.20949105       0.03886147      -0.69080815       0.13474287
Cl       1.38961844       9.76993524      11.96708332       0.15464404      -0.47624738       0.29568205
Cl       7.71356490      11.36906830       1.52302962       0.14904953      -0.07605491       0.03786914
Cl       8.10718905       9.83862480       4.15828515       0.15612995       0.29139600       2.98942095
Cl      13.68166790      14.33919619       5.97375447       0.14518251       0.55088759       0.18413310
Cl      14.16096184       8.06630514       9.20070100      -0.67605815       0.43659369       0.08759790
Cl       9.04898168       8.80114001       0.19791053       0.16776968      -0.22594850      -0.24215221
Cl       6.30567274      11.02017124       8.05209400       0.03486459      -0.04574418       0.06201676
Cl       1.85615247      12.72839020       3.91301037       0.22319149       0.86658952      -0.19633601
Cl       3.62901705       1.83627695      13.90655235      -0.56494102       0.38677067       0.46750958
Cl       7.03819884       9.71485453      11.76153090      -0.48071759       0.97613576       0.02716902
Cl       4.02345859       2.28994352      10.48873776       0.25291043      -0.55954740      -0.04292254
Cl       8.37642630       7.39136929      10.49253792       0.22509677      -0.11279845      -1.25141681
Cl      11.43124741       3.22197048       3.28069360       0.60458771      -1.85946520      -0.35176773
Cl       4.53943333       4.05416096       2.45250402      -1.83508614       0.46679955       0.42225946
64
Lattice="14.3911 0.0 0.0 0.0 14.3911 0.0 0.0 0.0 14.3911" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.76288531 stress="-0.0002695871880743899 0.00039019406592504435 -0.0022581087334762836 0.00039019406592504435 0.0004982900322196488 0.0008443984592188603 -0.0022581087334762836 0.0008443984592188603 -0.0022286246120712338" free_energy=-219.76288531 pbc="T T T" config_type=density 
Li      10.72918387       1.60502499       9.83343863       0.01862692       1.05634883       0.87723282
Li      10.34874075       5.39400015       4.46440704       0.58541539       0.05135858      -0.26327518
Li       7.16777518       3.81575699       6.43931209       0.33638640      -0.03144941      -0.23349485
Li       8.79323553       5.55506534       9.45675159       0.36093897      -0.35806539       0.31689894
Li      11.84317014       4.42175182      12.88551751      -0.20074483      -0.69039059      -0.23682230
Li       6.22617990       1.94151769       9.89681703      -0.15760843      -0.39813866       0.83644888
Li       8.78757983       9.66027052       2.24656584      -0.08568082       0.22233798      -0.33828017
Li       6.88627087      13.82527073       1.85656703      -0.50932500       1.08696354      -0.13642680
Li      12.45135241      12.96364679      11.27601689       0.76625154      -0.81743581       1.74297847
Li       7.57009277      10.68832753       6.12509681      -0.01454606      -0.20180339       0.06462022
Li      12.73818143       0.05931148       7.92981270       0.01430817       0.05260217       0.22091296
Li       9.73245628       2.15026060       3.03558668      -0.08540880       0.16502075       0.15265027
Li       8.34063544       7.96235098      12.64638060       0.17791033       0.09206741       0.06418850
Li       6.53709961      11.01232876      13.93493091       0.12503341      -0.82060324      -1.31659275
Li       5.13054228      12.34341916       9.77623401      -0.00165829      -0.50983775       0.02327286
Li       7.38659185       9.47597810       9.83335228      -0.58056956       0.03091835       0.29656562
Li       6.34977066       3.02365646       1.71874346      -0.57698669      -0.50341537      -0.00923655
Li       0.05651932       9.41822661      10.94412934      -1.38015982       1.11469999      -1.32951290
Li      13.39575396       4.08664067       3.78415414      -0.70381343       0.97618590       0.07932289
Li       1.19410440       7.36139304       6.55707446       0.05195309       0.03159695       0.30415700
Li       3.18616076       2.18092803       1.52941415       0.25333542      -0.27340827       0.46653782
Li       0.95313694       0.94203565       4.51520762      -0.34226116      -0.09490809       0.15739300
Li       2.54667784       5.21628445       3.35698311      -0.17806819       0.06006923       0.17975421
Li      14.33140572      11.37030737       4.95766199      -0.19938432      -0.44013118      -0.32475953
Li       3.82826286       4.44883587       8.61963569      -0.24215711       0.01365094       0.48977993
Li      10.80118254       9.95786408       5.28645546       0.73984275      -0.92605620       0.62746925
Li      14.02087456       7.90363529       3.16258814      -0.54192547      -0.12775887       0.22184717
Li       2.87626281       3.59776061      12.17226581       0.13094303       0.06872318       0.10540172
Li       4.26599695       0.47433929      12.73731796      -0.15515460       0.97766070       0.65373153
Li      12.60604235       8.59155866       7.86051956      -0.26673988      -0.07091266      -0.28520052
Li       1.00174720       6.55847039      10.10319980       0.60330533      -0.34745700       0.48860285
Li      13.62550787      10.70061753       0.18105731       0.25310489      -0.52313148       0.83211818
Cl       9.71114306       3.40186896       9.21926966      -0.29105670       0.25870750      -0.27409446
Cl      10.26770446       8.53832598       7.45884957      -0.00774946       0.50757406      -0.28225269
Cl      13.05795167       9.19327933       5.64345547       0.37513268       0.83627942       0.17185926
Cl      12.35113279       2.00485292      12.29595732      -0.33446151       0.63160914      -0.09977396
Cl      10.12228240       5.79682143      12.71128446      -0.02363449       0.08129342       0.07150931
Cl      11.97371180       6.51447680       3.54849987       0.21190065       0.18231805      -0.01202846
Cl      13.22878842      11.42128065      12.66975175      -0.22832785       0.30720713      -1.17197040
Cl      13.63876207       9.91412953       2.31290881       0.03033169       0.36105956      -0.19875056
Cl      14.16459848       0.34069778       6.44603273      -0.12500962       0.38975722       0.23940448
Cl       4.16088435       4.06398908       2.25459607       0.68150864       0.28903128       0.41794361
Cl       8.75494081       9.54116978       0.10033604       0.18265683      -0.55199703      -0.32631846
Cl       5.38713559      13.47841644      11.57214255       0.42061458      -0.17815836      -0.32571392
Cl       0.98060955       3.63851620       3.77586486       1.15350411      -1.54955614      -0.00987130
Cl       1.00463981       6.69691278       4.48582100       0.43964432       0.31192113      -0.37247574
Cl       2.80111249       6.24058539       7.62277859       0.33887494      -0.27920278       0.08532505
Cl       1.82132322       4.51976960      10.66399218      -0.70456466       0.75301795      -0.91296939
Cl       4.41790940       2.55421877      10.96495326       0.51062751      -0.46145436      -0.47840528
Cl       3.28063833       2.50114440      13.88864913      -0.92971904      -0.00169826      -0.56859053
Cl       1.01313344      13.05308748       4.13880840       0.44145876       0.03278636      -0.53638329
Cl       0.34718241       8.28912969       8.96414423      -0.82443939       0.49158543      -0.82400726
Cl      11.62515936       3.18188660       3.16932317      -0.53101988      -0.56832768      -0.15068956
Cl       1.14706709       8.69409524      12.27995441       1.44347905      -1.28844568       1.80722151
Cl       5.15572670       0.72236270       0.84064459       0.25481688      -0.44853187       0.33976788
Cl       6.24998277       3.32628690       8.35056529      -0.25520766       0.81221617      -0.97223687
Cl       8.66096693       4.14636373       4.81026835      -0.72713978      -0.26641646       0.21243423
Cl       6.90919589      11.88291835       1.33034638       0.08053493      -0.53067684       1.13933375
Cl       9.12417327      10.74322958       4.20489234      -0.69965513       0.23464679       0.49068396
Cl       5.62987028      10.63043214       8.39199727       0.84983627       0.12675519      -0.50232161
Cl       6.40471588       9.70652352      11.97700737       0.07610802       0.17932460      -0.03802820
Cl       8.36996450       7.53569804      10.28164944      -0.06316876      -0.03910281      -0.14342045
Cl       7.71505432       1.32431363       2.61690641       0.55261389       0.51740515       0.41250660
Cl      11.66519540      14.12660597       9.90927973      -0.49365299      -0.00622845      -1.91597080
64
Lattice="14.4442 0.0 0.0 0.0 14.4442 0.0 0.0 0.0 14.4442" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.99778404 stress="-0.0008984353231176546 0.003061328979791839 0.000248711899067052 0.003061328979791839 -0.001768993651015083 0.0005738796510093227 0.000248711899067052 0.0005738796510093227 -0.0017151010283921876" free_energy=-217.99778404 pbc="T T T" config_type=density 
Li       6.74692915      13.40300429       1.97140219      -0.04639863       0.39658670      -0.02347079
Li       5.48608049      12.77453715       9.89936136      -0.09665742      -0.33619947       0.18099086
Li      10.57026556       1.63206460       9.88764711      -0.46093908       1.40101913       0.39409621
Li       8.14489661       3.96052742       6.70314878      -1.02650210      -0.40599857       3.05685907
Li       8.92489785       5.26085208      10.29573909       0.29981984       0.16147934       0.67258117
Li      11.54331354       4.68597292      13.68345287       0.01887966      -0.18550576      -0.46081494
Li       6.22195470       1.51019889       9.96522691      -0.52774501       1.05470581      -0.02113176
Li       5.76696240       2.57255535       1.97621211       0.30337492      -0.85501298      -0.36430889
Li       9.74256957       2.08535249       2.80970023       0.06489359       0.57934594       0.18426716
Li      12.26189804      12.98085810      11.90265634       0.08080993      -0.05133244       0.21951292
Li       7.19035165      10.93342164       6.54494146       0.38406873      -0.07451258      -0.30271273
Li      10.16363244       5.78490210       3.84872931       0.02297281      -0.36979672       0.04103371
Li      13.64952345       4.33084782       3.37225849       0.06690873      -0.02655887      -0.27019448
Li       8.56071623       7.68053002      12.67657658      -0.11902846      -0.14060899      -0.22907799
Li       6.63910320      10.71496756      14.00162971       0.27026346      -0.69110365      -0.18868735
Li       8.85160798       9.78845879       2.49961214      -0.56128772      -0.03092255      -0.58728695
Li      14.28441537       9.36863812      11.68597890      -0.52928913       0.95051129      -0.81486331
Li      13.87411631       8.00929446       3.24018072       0.34026479      -0.39115265       0.38873356
Li       1.86084629       8.11164606       6.49157014      -0.61401498      -0.10803588      -0.16815551
Li       2.06283398       1.98210535       1.16527428       0.55026438       0.20301811      -0.19437198
Li       0.35943958       0.48923661       4.92889548       0.41727385      -0.25609234      -0.13865634
Li       2.75287675       5.25341332       2.69655881       0.09405045      -0.71778735      -0.29790743
Li      13.04299705       0.38724900       8.81538193       0.71131782       0.08005682      -0.54099797
Li       0.51681348      11.23581096       5.01012966      -0.39066089      -0.27459913      -0.08070274
Li       4.78582567       4.54001428       8.26647344      -0.63670743       0.37434320       0.22228365
Li       3.93860112       0.69989949      12.76718505      -0.89751879       1.20383949       1.02885773
Li       6.81883238       9.23585259       9.94416727       0.02699918      -0.36765218       0.17957991
Li      11.36143217       9.56369259       4.50817926       0.10570642       0.20955705       0.55676056
Li      12.75014089       8.60375995       7.35947879       0.26753238      -0.16972549       0.21271019
Li       1.70314451       6.84221754       9.58667332       0.63823383      -0.47876952      -0.05655197
Li      13.48246183      10.56950002       0.35126128       0.14844898      -0.12026125      -0.41830176
Li       2.90560972       4.17548600      12.00971676       0.09217828      -0.33189593      -0.19935161
Cl      13.78535671       0.06441954       6.81269360      -0.29950081       0.12170841       0.18913521
Cl      13.43956256       9.96184697       2.39356283      -0.06800981       0.82298002      -0.29590994
Cl      12.18115497       3.14100684      12.24340947      -0.08808405      -0.34947105       0.02431115
Cl      11.45544947       7.60043693       3.50188074      -0.17460598      -0.47316839      -0.24735957
Cl       9.97845780       5.86799958      12.65060591      -0.14103692       0.03457951      -0.03276053
Cl      10.81759360       9.20241426       6.70075105      -0.74823787       0.11802941       0.21587988
Cl      13.51899121      11.32588499      12.52790243      -0.06476415       0.02304665       0.36935577
Cl      11.37292975       3.97692159       2.84000416       0.20234034      -0.25247474      -0.19655031
Cl      13.88226284       9.33177652       5.58113777       0.73586796       0.31953216      -0.70231155
Cl       4.17184607       3.86424238       2.14510814       0.51561572       0.36757652       0.04362562
Cl       7.90883504       7.19357271      10.37121004      -0.19194910       0.26494714      -0.61847638
Cl       1.02568986       3.22781649       2.73032935      -0.65695464      -0.29027469       0.55820994
Cl       1.58848645       6.67246930       3.46685355      -1.57843074       1.47976897       0.62392801
Cl       2.83565646       6.39233849       7.19352937       0.73489386      -0.40980953      -0.32720430
Cl       3.72890023       5.42258379      10.03727458      -0.41030036       0.43293645       0.85559561
Cl       3.66836459       2.28218360      11.04592751      -0.08261011       1.21049109      -0.97841384
Cl       2.06686391       2.52584281      13.49328054      -0.88605247       0.31267948       0.32458334
Cl       1.55644922      12.99436343       4.47630091       0.10716057       0.50187392      -0.20638682
Cl       0.30140568       7.95696312       8.26890006      -0.46441662       0.38798157       0.72631200
Cl       0.59588969       7.80194796      12.53128237       0.65372591      -1.21605552       0.48410840
Cl       7.86911349       1.02227670       2.22133019      -0.17598442       0.04236076       0.01717965
Cl       4.26479449       0.96582443       0.71405625       0.73624885      -0.90005069       0.22464127
Cl       8.81512193       4.10387166       4.96244935       0.92877318       0.34656773      -2.68129818
Cl       6.61980575       3.31173729       8.40910991      -1.10681195      -0.32490851      -0.63930997
Cl       9.29589713       3.33973015       9.32133336       1.25930648      -0.54235939      -0.09019414
Cl       6.96637988      11.25739060       1.60963276      -0.22582359       0.53066252       0.26523793
Cl       8.74550089      11.08933233       4.40493212      -0.02781316      -0.24525479       0.54120721
Cl       8.31728813       8.63777604       0.19891974       0.48639228       0.22580624       1.11510942
Cl       5.86545740      11.00338934       8.59129461       0.42188084      -0.05826644      -0.54841737
Cl       6.73124275       9.60569633      12.10821176      -0.45047020       0.76915046      -0.32174102
Cl       5.07491189       0.04781030      11.15675786       2.11398426      -2.77100186      -0.86565798
Cl      11.76183984       0.03004394      10.45488529      -0.05184569      -0.71052197       0.19285131
64
Lattice="14.4726 0.0 0.0 0.0 14.4726 0.0 0.0 0.0 14.4726" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.73720011 stress="-0.0020899382168790164 0.0029577360875693037 2.375216284269475e-05 0.0029577360875693037 -0.0027684267092758217 -0.0006685194603983077 2.375216284269475e-05 -0.0006685194603983077 -0.00939232123639786" free_energy=-217.73720011 pbc="T T T" config_type=density 
Li      13.95520455       9.89404826      11.71248704      -0.02130764      -0.10718683      -0.13277587
Li       5.38642674       2.41462306       1.79439978       0.14225492       0.06744631      -0.02275561
Li      10.91519150       4.46362482      13.83794754       0.03769754       0.46329031       1.02044947
Li       7.40415321       3.58389336       6.44022016       0.19009588       0.26530187       0.28966532
Li      13.54979808       0.08142458       8.96379295       0.26590206       0.21877982       0.29526477
Li       9.66028683       2.09485096       2.66611343      -0.36214048       0.52371294       0.27469002
Li       5.96993303       1.83004580       9.81604095      -0.74156068      -0.08589776       0.89455456
Li      10.46313984       5.63085448       4.02252892       0.32365054       0.13924795      -0.08315370
Li      13.33272355       4.14537235       2.77818924       1.26340219       0.72188614       0.20497673
Li       9.37118217       5.03433733      10.83440545      -0.10780694       0.03261993       0.35740954
Li      12.40902433      13.23627814      12.04142029      -0.15728577       0.50561581      -0.07677226
Li       8.08268659       9.84976211       2.50553993       0.31747872      -0.19964725      -0.69788548
Li       7.25729974      13.50994054       2.00672730      -0.45298243       0.12914078      -0.14158262
Li       6.87940568      10.78078447       6.62999937       0.45159964      -0.49818162      -1.44003344
Li       7.25604063       9.47948064      10.18348579       0.29913190      -0.84522643      -0.40256537
Li       8.17548490       7.95657236      12.86036683       0.68846883      -1.54986556      -0.35090112
Li       6.75427558      10.53430162      13.99933151       0.52998198      -0.47822046      -0.55601184
Li      10.72716348       1.80930656      10.53330301      -0.44387916       1.14082725       0.36699046
Li       5.97229206      12.79926352       9.98322843       0.34954512      -1.40280824      -1.15007929
Li       2.39980311       7.12209671       9.49461898      -0.83037073       0.62924265       0.07536170
Li       1.61755908       7.88002678       6.48941253       0.82177568      -0.60867705      -1.21504774
Li       0.03386588       8.14552662       2.90172735      -0.26207390      -0.55682827       0.60548776
Li       2.27266132       2.37353535       1.06219622       0.35586672      -0.04294838       0.07031791
Li      13.04871325      10.54839793       0.40341359      -0.04398652      -0.50679908       0.78323440
Li       2.94375579       4.14218837      12.09790685       0.28644561      -0.12493338      -0.56201446
Li       4.07730771       0.40253077      12.71857877      -0.50600864       1.14821460       0.58409479
Li      11.21008520       9.45266291       4.32477470       0.58073666      -0.75777883      -0.00739828
Li       0.14167532       0.07977659       5.12220048       0.89215801       0.17800283      -0.86825238
Li       0.58269582      11.52477741       4.78367190      -0.32520102      -1.25898159      -0.05815567
Li       4.69446279       4.83902959       8.73538638      -0.71216091       0.75625781      -0.47557465
Li      13.00526650       8.52974521       7.12745158       1.42793352      -0.06097994       0.22645948
Li       2.76138655       5.51769322       2.55535462      -0.91469869      -0.03914860       0.56409534
Cl      12.84396938      11.43980878      12.98636529       0.07335164      -0.19818481      -0.41043029
Cl       9.06033967       9.18688808      14.32150606       0.48553603       0.83328241       1.44551446
Cl      13.85967092      14.36020579       6.98075730      -0.55048058      -0.18331251       0.13311913
Cl      12.18041514       0.30735316      10.56479538       0.35034099      -0.76112841       0.28886537
Cl      11.13843136       8.40384806       6.31901214      -0.70137674       0.03358800      -0.02427477
Cl      12.20808675       6.85416547       3.24190582      -0.34982303       0.31268331      -0.13233310
Cl      13.76926059      10.05648873       2.38456347      -0.66042409       1.28350682      -0.84728057
Cl      11.31386821       3.72148436       2.66677917      -1.09729924      -0.97377776      -0.50327598
Cl      11.19814530       3.49455400      12.10777716       0.78758013      -1.19446501      -1.00239804
Cl       4.48536266       4.47100585       1.91390004       0.40937797      -0.23165577      -0.14073261
Cl       6.79565275       9.39886826      12.24396433      -1.84175809       1.15455214      -0.58500408
Cl       1.00758531       3.29720562       2.64090216      -0.28238914      -0.36552380      -0.08542408
Cl       4.43368101       0.72912959       0.75849884       0.42868634      -0.94475602       0.40916760
Cl       0.91271018       6.39607873       3.79351449       1.10504102      -0.58590359      -0.22604310
Cl       3.44527479       6.76932709       7.62655366       0.62429001       0.14951533      -1.51490067
Cl       3.57160612       5.55869410      10.31369577      -0.27828317      -0.15155013       2.26994319
Cl       3.66537409       2.34217322      10.79302829       0.91148595      -0.61262174      -1.63145767
Cl       2.80518064       2.36145072      13.41705539      -1.36542970       0.46377793       0.94094331
Cl       0.70712545       8.40351519       8.18338694      -1.37182447       0.49602545       1.24847164
Cl       0.41594542       9.26608215       5.08132986      -0.05147041       0.62210432       0.39514992
Cl       1.84859967      13.12789284       4.80721882       0.28963921       0.78590783      -0.22939112
Cl       0.63352504       8.22885985      11.37588331       0.27886414      -0.20519360       0.46868971
Cl       7.42979866       1.16043333       2.68471072       0.65822690       0.05606129       0.01731159
Cl       6.16037797       3.43473874       8.45913339       0.94636610      -0.32317033      -1.32027025
Cl       9.25011887       2.95808366       9.52427333      -0.42565277      -0.00500408      -0.40718933
Cl       8.82819916       4.41653098       4.90933748      -0.44824592      -0.33088950       0.20385141
Cl       9.31595473       5.70143735      13.32893173      -0.78731637       0.58089539       0.09454068
Cl       8.12773980       7.18224484      10.52039345       0.20371613       0.06337485      -0.57394780
Cl       9.16740796      10.23059410       4.36641237      -0.84710526       0.53340371       0.04135351
Cl       6.71764543      11.20658283       8.57463921      -0.03868262       0.21736852       1.21005068
Cl       5.49507255      14.14628629      11.27081223       0.40435338       0.79132562       0.71055051
Cl       6.80364162      11.37633196       1.37286360      -0.20195638       0.89428639       1.38473828
64
Lattice="14.5338 0.0 0.0 0.0 14.5338 0.0 0.0 0.0 14.5338" Properties=species:S:1:pos:R:3:forces:R:3 energy=-219.93199111 stress="0.0002770340012690816 -0.00047033413808256214 0.0004052788510144262 -0.00047033413808256214 -0.0006296488644905334 0.00038546162263410804 0.0004052788510144262 0.00038546162263410804 -0.0020570142874475283" free_energy=-219.93199111 pbc="T T T" config_type=density 
Li      14.08232204      10.01535785      12.08359026       0.45179394      -1.10939319      -0.31831221
Li      11.06776484       2.34273229      10.62829180      -0.86933461       1.38167877       0.19402766
Li       8.08980376       3.54463395       6.70702896      -0.79886622      -0.14863357       1.83032686
Li      10.28577373       4.45777807       0.09912052      -0.02824648       0.58553830      -0.66322313
Li       9.43076481       2.29636947       2.67230074       0.58676686       0.46619780       0.58102335
Li       6.11050367       1.22128103       9.20018608      -0.55390351       0.25197795       0.71807667
Li       9.05742056       5.35050220      10.65593509       0.94696791      -1.58621916       0.23258907
Li       6.58154413      10.99787180      13.59196616       0.28427167      -0.06627798       0.28793652
Li      10.96236572       5.16134479       4.69675734      -0.90727686      -0.57316662       0.21611558
Li      12.70268654      13.61824327      12.06923086      -0.17127362       0.58228491      -0.16532712
Li       7.47264047      10.24628540       2.38801961       0.20433890       0.29993225      -0.21479503
Li       6.82013099      14.28299021       2.13952070      -0.50305274      -0.26659855      -0.79885093
Li       8.24746642      10.40102677       6.62883711      -0.02859282      -0.08846922       0.34457498
Li       7.60543580       9.14673076       9.77883479       0.04056016      -0.48541840      -0.01439330
Li       8.10945345       7.95420340      12.98849371      -0.34047259       0.47400981       0.42730948
Li      13.23636767       4.43703834       2.61566252       0.48752390       0.06537573       0.00219817
Li       1.93026305       7.47887547      10.19168191      -0.01962369      -0.19869652      -0.25557576
Li       5.82585920       2.63545756       1.73401314      -1.35352803       0.51191369      -0.91534492
Li      13.46611798       8.08505120       7.04085581      -0.25387508       0.15355275       0.67685159
Li       1.86804385       1.94803788       0.57251545       0.08895842       0.47999981       0.86472069
Li      12.91687115      14.26850001       8.64673897       0.19744712      -0.06659317      -0.79864357
Li       2.56132064       5.45097436       2.31841724       0.10609763      -0.46396083       0.03248298
Li       4.23046944       4.73525738       8.84346849      -0.03246452      -0.18439259       0.24808209
Li       0.97830787       0.34427084       5.55060356      -0.30868097      -0.65081486       0.06828469
Li      14.12324922       7.89756518       3.52720792       0.25748888       0.22805994       0.45571906
Li       4.68587153       1.02662839      12.50255611       0.04630113       0.20204970      -0.16871562
Li       2.49311352       3.84019330      11.98282742       0.10817168       0.19483068      -0.48445747
Li       6.17126949      12.62012002       9.52837381      -0.19469724      -0.01352033       0.51869807
Li      11.07189244       9.51154367       4.63918896       0.08859115      -0.10141709      -0.03341673
Li       0.97010354      11.39015359       4.77750713      -1.18158979      -1.52790592       0.15694280
Li      12.90826714      11.03731653       0.73968467      -0.01021774      -0.39306361       0.72552755
Li       2.39252509       7.33049991       6.22158550      -0.26179154       0.16408770       0.04047384
Cl      10.87203816       8.41200357       6.56327514       0.29724631       0.02876026       0.19844573
Cl      10.38082479       3.80596621      12.32989457       0.39056680      -0.74214030       0.65758666
Cl      13.40373891      14.03263097       6.53116998       0.41210166       0.28471555      -0.00304279
Cl      11.22785465       3.60827746       2.39870195      -0.37723419      -0.21620942      -0.64398235
Cl      13.24449207      10.07812933       3.03108213      -0.64675214       0.60658095      -1.46123320
Cl       8.25458798       7.11542874      10.98862830      -0.89655360       1.30476678      -1.37403303
Cl      12.94390402      11.82567344      13.11727772       0.23726821      -0.71166302       0.37278345
Cl      12.30318144       6.50102688       3.80102471       0.83294496       0.19955700      -0.41926084
Cl      12.08518898       0.45531343      10.47382657       0.23499987      -0.54073982       0.32150588
Cl       3.92841347       3.89225338       1.53279268       0.17860230       0.32000020       0.32938001
Cl       7.03629220       9.87097908      11.66802532      -0.42668098       1.01426928       0.61783967
Cl       0.61452976       3.11895348       2.14624985      -0.39907104       0.16268520       0.07159391
Cl       1.85566105       6.71574924       4.02724331      -0.22962749       0.04944399      -0.15408089
Cl       3.26731451       7.17314246       8.22931370       0.69442292       0.15673564      -1.00080254
Cl       2.83037035       5.36413490      10.53712127      -0.02464398      -0.30386181       0.49094769
Cl       4.12297745       2.07770845      10.04677993      -0.44352301       0.02814456       0.38719396
Cl       2.90814071       2.29952330      13.33239249      -0.48885741      -0.42713336      -0.45427688
Cl       2.12405673      12.99888538       4.82732900       0.74584625       1.52747453       0.00814594
Cl       0.00633732       7.94666036       9.14837308      -0.90963934       0.24075739      -1.50990334
Cl       0.07183592       9.28766502       5.52663732       0.68620414      -0.08769901       0.45063503
Cl       0.73559486       7.93775114      12.00520948      -0.24801868       1.10492413       1.58747269
Cl       7.42241166       1.75802298       2.65584848       0.63885447      -0.40406085       0.86140420
Cl       5.25975315       0.91721504       0.28754542       0.37992963      -0.53030006       0.20497466
Cl       6.14781193       2.94277476       7.89449855       0.57801362       0.67258688      -0.97699100
Cl       9.67538320       3.72970736       9.30526545       0.02122623      -0.56338254      -1.14149388
Cl       9.06680939       3.65833187       4.98324761       1.08777471       0.32713496      -1.23065630
Cl       9.56485365       6.57219889      13.72614220       0.68434750      -0.46869653       1.27798743
Cl       7.14006353      12.38108261       1.06347739       0.09554998      -0.00858039       0.35232985
Cl       7.30099629       9.26589339       0.39266403      -0.08530071      -0.50142899       0.20854773
Cl       6.82966516      10.98952940       8.41366042       0.62091160      -0.75960002      -0.97337575
Cl       5.90580963      14.08844077      11.03143034       0.40331322      -0.06410416      -0.02885901
Cl       8.78087141      10.26318821       4.55906412      -0.12201311       0.18411482      -0.81768863
64
Lattice="14.56 0.0 0.0 0.0 14.56 0.0 0.0 0.0 14.56" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.76101188 stress="-0.0032360459032357894 0.00021511901717046953 0.0009622194457126859 0.00021511901717046953 -0.0012898998295007454 0.001107045238941487 0.0009622194457126859 0.001107045238941487 -0.000682720279274718" free_energy=-218.76101188 pbc="T T T" config_type=density 
Li       0.04207840      10.01910000      12.52170192       0.33836280      -0.40237956      -0.55899386
Li       6.83271680      11.33768272      13.87722336      -0.05461136      -0.57902174       0.20660123
Li      10.84118672       2.27371872      10.85188832      -0.34816600       0.67410304      -0.13107263
Li       9.44331024       2.52318976       2.28104240      -0.06110296       0.02394791       0.62317243
Li       8.43079328       3.26807936       6.53787680       1.09500960       0.29009479      -0.55918838
Li       6.36599600       1.44959651       9.33141664      -0.58009194       0.02189936       0.58154755
Li       9.01124224       5.42151792      11.12129200       0.43958046      -0.30806522       0.19725748
Li      10.30090880       4.49714720       0.03533945      -0.13818620       0.41857982      -0.68297351
Li      12.44237904      13.23370048      12.21503920      -0.08175413       0.28313090      -0.20478837
Li       7.01899744      10.39276784       2.47356928       0.43015030      -0.32917302       0.16240463
Li       6.32795072      14.20837600       1.54263200       0.00176308       1.88053044      -0.12024550
Li      11.11376448       5.38588960       4.65063872      -0.60175279      -0.40280905       0.09997847
Li       8.54872928      10.83131504       6.87124256       0.83194578      -0.40795083      -0.52623355
Li      13.46625280       3.92400736       2.54508800      -0.80845369       0.50903954       0.22298489
Li       6.17367296      12.45018320       9.56449312       0.07260483      -0.46038960       0.27786479
Li       7.91103040       8.32192816      13.07096336       0.13659525      -0.23927489      -0.04950829
Li       5.47796704       3.44667232       1.36156384       1.47531668      -1.25438487      -0.33449672
Li       1.76091552       7.02073008      10.32976672      -0.13265847       0.79705930      -0.39457011
Li      14.44940224       7.92537200       3.57238336       0.05450894      -0.30955859       0.11508948
Li       0.54412322      11.17743536       5.50814992       0.09532340       0.07491323      -0.22155411
Li       2.15863648       2.18890672       0.73498152      -0.08558293      -0.21854422      -0.21290533
Li       2.79589856       5.50774224       2.46388688      -0.39058184      -0.03745654       0.21599283
Li       1.13889048       0.01335196       5.38312320      -0.06974108      -0.30234259      -0.01835300
Li       4.59285008       4.09890208       8.85004848      -0.12247581      -0.24898406       0.52353448
Li      12.71799984       0.29149120       8.37510128       0.27423998      -0.09480258       0.24213944
Li       4.33088656       0.52130187      12.08676560      -0.27426978       0.78384802       0.71062127
Li       2.99209456       3.73309664      11.83264992       0.19041036      -0.39989764      -0.23509378
Li       7.08068816       8.99806544       9.85112128      -0.17225461       0.18729131       0.15257091
Li      13.27371136       8.43374896       7.23161712      -0.72598891      -0.78582982       1.00728813
Li      10.97477472       9.61335648       4.10150832       0.09309196      -0.29365746       0.65983533
Li       2.23297984       7.40208560       6.38984528      -0.20617205       0.15176731       0.02737473
Li      13.21886384      10.87490768       0.79595880      -0.02032688      -0.19655245       0.49791358
Cl       9.88061984       4.07607200       9.29699680       0.25155046      -0.46235777      -0.08983644
Cl      12.07540880       0.19504576      10.71971264      -0.08975903       0.30614621      -0.58455683
Cl      13.33471776       9.70230352       2.66072352      -0.56653018       0.58231520      -0.87069879
Cl       9.81143072       3.28163472      12.55240896       0.16850010      -0.38416073       0.60312779
Cl      10.84393856       8.41383088       6.14536832       0.03726884       0.30149791       0.32679557
Cl      14.22148000       7.31080896       9.57717488      -0.62226971       0.13782680      -0.55765260
Cl      13.05018624      11.46984384      13.23934976      -0.01112589      -0.21101069       0.27485611
Cl      11.27800128       3.92728336       2.15713680       0.19121876       0.18523873      -1.37585131
Cl      14.43897728      14.11024160       7.16548560      -0.28650575       0.09946497       0.10034719
Cl      12.73443808       6.65180880       4.35533280       0.65030909      -0.80385248      -0.80482770
Cl       3.48297040       3.78316848       1.34590165       0.63805845       1.23989972       0.04741235
Cl       6.94289232      10.21151040      11.86744832      -0.27908390       0.96806281       0.25050403
Cl       0.82146792       3.29035616       2.25726592      -0.29778984      -0.52820229       0.28921541
Cl       2.12893408       6.91675712       4.03051376       0.00893583       0.07157194      -0.00301528
Cl       2.92794320       5.09854800      10.16155504       0.09868338       0.23567727      -0.09263629
Cl       4.12637680       2.13218096      10.22789040      -0.01892302       0.99522700      -0.75355233
Cl       2.97757824       2.00491200      13.20047456      -1.28730714      -0.08059939      -0.02085488
Cl       1.62917664      12.75132768       4.22047808      -0.11877044      -0.00330257       0.14136220
Cl      14.26297600       9.05713536       5.49618160       1.25616566       1.09818730       0.57515277
Cl       2.93895056       7.96207776       8.36231760       0.33458317       0.05617590      -0.51221654
Cl       5.60813344      14.31427088      10.58501808       1.41158158      -1.88890400      -0.41527336
Cl       1.81076896       9.30915440      11.58821664       0.05356879       0.01661978       0.39986268
Cl       5.45692784       1.19523622       0.15003934      -0.63892281      -0.69106643      -0.90815161
Cl       6.94616832       2.92926816       7.93621920      -1.01456367       0.23969319       0.04778278
Cl       9.88270192       3.33285680       4.62412496      -0.71756673      -0.03891599       1.26118888
Cl       9.28840640       6.41538352      13.49490688       0.36880375      -0.33027957       0.84540316
Cl       8.03725104       7.43595216      10.93030848      -0.14745456      -0.47857140      -0.82033071
Cl       6.34995088      12.20256128       1.55075648      -0.21206731      -0.68321205      -0.29288050
Cl       7.43745184       9.25104544       0.59253958       0.05583667       0.02811914       0.20195909
Cl       7.33419232      10.80707264       8.47138656      -0.86753911       0.34029149       0.77872764
Cl       7.40099360       1.71133872       2.09428128       1.02900522       0.57126708       1.11312383
Cl       9.05923200      10.92285376       4.87208176      -0.03262264       0.28602266      -1.42868080
64
Lattice="14.6829 0.0 0.0 0.0 14.6829 0.0 0.0 0.0 14.6829" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.27998247 stress="-0.00042539112801414313 0.0024783940100294843 0.001523048063690732 0.0024783940100294843 -0.0026600464172744968 0.00021830524516414164 0.001523048063690732 0.00021830524516414164 -0.004391715856199817" free_energy=-217.27998247 pbc="T T T" config_type=density 
Li       7.26138415      11.51805964       3.19692250       0.22805734      -0.37125293      -0.17305500
Li       7.58561194       3.74907295       6.73188941      -0.74611257      -0.10298065       1.01365977
Li       6.12285740       1.37261769       9.18002806      -0.64634807       0.12528192       0.35607518
Li       5.36319352      14.08915289       1.05292838      -1.14030301       3.16341225      -0.69701977
Li       8.53439158      10.14046591       6.59204947       0.26099371      -0.51821570      -0.44013733
Li       8.89761716       8.14387048      14.56506973       0.13394099      -0.47054191      -0.69934077
Li       6.67298161      11.74153337      14.27913493       0.38160536      -0.74975355      -0.72651484
Li       8.14720350       9.64440413       9.96717832      -0.19141812       0.16986098       0.46480622
Li       6.06481589      11.97349383       9.72706886       0.02342551      -0.32689190       0.83668074
Li       9.06431212       1.62671849       2.55925884       0.19397294       0.37190053      -0.50828761
Li      13.66393611       3.85408506       2.07119924      -0.62979811       0.10739554       0.00135584
Li      10.06244098       4.51739975       0.00586097       0.33178776      -0.18409146      -0.12186291
Li      13.87764572       0.54530235       9.95563756       1.24432543       0.31452548      -1.06514320
Li      11.21930667       1.66078282      12.56423094      -0.39082714       1.06193457       0.15500212
Li      10.42399271       6.73043580      11.26059499      -0.23522224       0.39175980       0.40203571
Li      11.07401937       8.57215600       4.16802014       0.07063487      -0.31133052       0.12201779
Li      13.34568425      10.49899296       0.36640443      -0.23920775      -0.06057323      -0.51730009
Li      14.17076045      11.38459208       4.01747637       0.06503942      -0.56819573       0.19800548
Li      12.79092024       8.24798693       7.17824957      -0.20393789      -0.09848218      -0.43244207
Li      10.74274379       4.61827127       4.49171935       0.47278736       0.52107306      -0.66839072
Li       5.62261099       3.03549870       1.91967171       0.17592778      -0.81127413      -0.31100121
Li      13.02793161      13.26216791      12.45870494      -0.38178532       0.57022216      -0.34123668
Li       2.39246109       4.10626386      11.08523711       0.38500127      -0.75177415       0.53302749
Li       0.53203929      10.25676916      12.11925098      -0.11375037       0.22494514      -0.22139070
Li       2.12734665       7.55971131       9.70787831      -0.32708922      -0.01805365      -0.58971773
Li       4.39626582       0.76639746      11.76539309      -0.29379765       0.09258514       0.27942908
Li       1.41039239      13.71200792       6.85102646      -0.06296245      -0.40916272      -1.06495804
Li       2.24491263       1.89121625       0.89708995      -0.04716461       0.67194613      -0.58796101
Li       3.26584403       6.29502908       2.37959887      -0.31804050       0.50371666       0.29914497
Li      14.53972675       7.97156665       3.28340478       0.43471787      -1.17626810      -1.58105054
Li       4.47125139       4.65138121       8.31149047      -0.19484548       0.43271745      -0.18156030
Li       1.94328181       8.31082974       5.92942487      -0.21987897      -0.13782275      -0.34857802
Cl       2.50644444       2.46939949      12.78209581      -0.77270233      -0.04140867       0.08670659
Cl       3.15749891       5.55957730       9.61490619      -0.70179154       0.54335857       0.58575253
Cl       9.90822648       2.37462137      14.10291077      -0.39233738      -0.59012392      -0.06590149
Cl       7.04136089       0.89715749       1.93818685       0.56582834       0.89507887       0.57113853
Cl      11.26624790       4.77043016      11.42272357       0.60888577      -0.89182398      -0.70453133
Cl      12.22718498       6.54472648       3.53067950      -0.07079328      -0.26317215      -0.14091685
Cl      13.42555922      10.06813794       2.34074792      -0.41609859       0.22410792      -0.51301667
Cl       0.89143703       3.72524261       1.14485214      -0.20599217      -0.19181647       0.21992928
Cl      10.30043611       7.92703342       6.20309945       0.36140040       0.40952577       0.54676251
Cl      14.09169303       8.99166113       4.86454755      -0.32386190       1.19810767       3.66466707
Cl      14.21154954       8.09534350       8.79178281       0.23860254      -0.01461358      -0.17080730
Cl      12.35397182       0.41339852      11.23870278      -0.69899053      -0.81339204       0.80786513
Cl       3.80009603       7.53799530       6.66337900       0.09857733      -0.06327393       0.51446281
Cl       4.21825034       1.04530649       0.38953734      -0.24021811       0.01051616      -0.01675820
Cl      11.26853843       3.33831883       2.10726044      -0.03707428       0.06663085       0.87764015
Cl       1.62875941       8.75842326      11.43087258       0.76438936      -0.50023907       0.21327368
Cl       5.76186362       3.15018683       7.72283833       1.00195151      -0.70775494      -0.90405087
Cl       8.72375694       4.17145594       5.19310680       0.82836692       0.02604112      -1.30214913
Cl       9.62240915       6.27047927      13.44165168      -0.58467403       0.56641983       1.18592853
Cl       6.13777522      12.52891857       1.60181629       1.03448252      -3.29883586       1.20843708
Cl       8.62709941      10.20517345       4.32420215       0.06258596       0.29111016      -0.01893795
Cl      13.92812553      11.53098059      13.24042254      -0.04930679       0.20000345       0.21719790
Cl       0.71296345      14.44550687       8.61539714      -0.26125495       0.29117713       0.89639627
Cl       8.17703916      10.08039817       0.13365139      -0.06047679       0.57513641       0.77698286
Cl       0.44197585      13.11191780       4.84338949       0.29491748       0.31750335       0.28946578
Cl       7.37806915      10.94238718       8.29184475       0.19996129      -0.15753953      -0.28923902
Cl       6.45284089      11.26121167      12.02975870      -0.31727257       0.16808154      -0.31801977
Cl       5.70565748      14.02855656      10.13996669      -0.07396750       0.68174157      -0.08527482
Cl       2.25893480       7.86517436       3.55684443      -0.37286372       0.01020384      -0.37331004
Cl       9.25113734       9.14199934      11.71422318       0.68233990      -0.55352511      -0.49417207
Cl       4.37544547       2.38494345      10.37950352       0.35242172       0.34947215      -0.57523100
Cl       4.09074404       4.49531666       1.81446873       0.46523733      -0.39330864      -0.07458205
64
Lattice="14.7004 0.0 0.0 0.0 14.7004 0.0 0.0 0.0 14.7004" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.41654832 stress="-0.003503204532592316 0.003992046823655661 0.001232053766340915 0.003992046823655661 -0.0076384548252172325 -0.0007448046204819519 0.001232053766340915 -0.0007448046204819519 -0.0012665445767063837" free_energy=-216.41654832 pbc="T T T" config_type=density 
Li       7.81133685      11.20292493       3.16205604      -0.69192501       0.40224356      -1.15877964
Li       5.92789220       1.27011015       9.12811048      -0.51898405       1.04419088      -0.01966687
Li       5.15247550      14.20236515       0.97499521       0.66637205      -0.43610357       0.50864516
Li       8.54354907      10.59232912       6.36337685       0.15130959      -0.46320181       0.47570961
Li       6.25760747      12.21897248       9.47883262      -0.09867342      -0.17123640       0.73250357
Li       9.07670318       8.28398411      14.42844260       0.31882042      -0.04021081      -0.28516997
Li       6.65400376      11.56408436      13.94812173      -0.06469115      -0.19714052      -0.38420971
Li       8.35894145       9.40991715       9.97545623      -0.48756248       0.20780469      -0.06846942
Li      13.61496657       3.59748189       2.11011012      -1.21273035      -0.04898164       0.52981015
Li       7.63500555       3.91855332       6.52052412      -0.14845151      -0.11772949       0.41052485
Li      10.78393413       4.52093162       4.34976016      -0.24887388       0.49164902       0.43386538
Li      10.42739063       6.79039407      11.12877612      -1.06178754       1.57773056       0.56837411
Li       9.94971583       4.68340044      14.17300845       0.58400857       0.64474860       0.43203581
Li      13.94637238       0.53401261      10.14830354       0.47410835       0.52137342      -0.60773878
Li      10.93543645       8.42507855       4.17925022       0.30688789      -0.37830468       0.57059163
Li      13.66984316      10.65099842       0.19353518      -0.00898570      -0.15350001       0.24323757
Li      14.22616510      11.76690578       3.78475028      -0.70651050      -1.07892024      -0.73526953
Li      14.14701814       7.71332928       3.25069945       0.32601419       0.04115431       0.75139194
Li      12.79896206       8.20573388       7.51782866       0.74893015       0.03564407      -0.52664546
Li      11.11954426       1.80029919      12.83527205       0.26019576       0.21439307      -0.57867757
Li       9.23902500       1.76076981       2.75772154       0.77083854       0.66376216       0.39309807
Li      13.31891521      13.50239090      12.44731379      -0.09055085       0.50053076       0.13988424
Li       1.03905661      13.47932597       7.03033400       0.01098960      -0.05461974       0.17373109
Li       5.73902146       2.94909135       1.93699821       0.08368476      -0.31949580      -0.12467177
Li       4.42143931       0.70105032      12.21906068      -0.32218209       0.83812514      -0.86747913
Li       1.86196736       8.08275033       5.92423180      -0.30546358      -0.01671636       0.18933457
Li       4.37351600       4.80642808       8.34202129       1.06464579      -0.23256014      -0.36155752
Li       3.31451389       5.97413966       2.44350049      -1.14796002       1.82239417       0.75264665
Li       2.30978565       4.08108095      11.15376680       0.30398055      -0.57395414       0.03909937
Li       2.44029580       2.34974134       1.31332198      -0.13965049       0.49265046      -0.27712070
Li       0.19479353      10.11760910      11.96095106       0.11326357      -0.37256296      -0.86284674
Li       1.99640252       7.68456060       9.82821703       0.06388272      -0.39579165      -1.18633244
Cl      10.72257466       7.99966367       6.42047320      -0.17408475       0.34093787       0.63268354
Cl       4.01303280       1.18208856       0.87173813       0.73675384      -0.70281167      -0.70884453
Cl      13.49086579      10.20056346       2.29401212      -0.17155335      -0.01940438      -0.11868056
Cl      12.11790723       6.34198777       3.92280174      -0.00740198       0.09308356      -0.82927114
Cl       2.62322758       5.26759433       9.18848502      -1.67889271       0.23725273       1.33171983
Cl       0.59387705       0.32619747       8.43488371      -0.20074014       0.04697558       0.42948187
Cl       1.84759037       2.67287083      12.97882146      -0.16370208      -0.19058633      -0.03205742
Cl      11.38604782       5.14959422      10.89728892       1.06438390      -1.86112594      -0.30482854
Cl      12.41145952       0.56715319      11.70548751       0.17115162      -0.33741219      -0.33208703
Cl       9.95999141       2.78785736      14.11569159      -0.68506817      -2.19324569       0.90958779
Cl      14.26601788       8.49106864       5.44790944      -0.73426965       0.34473950      -0.18385098
Cl       0.86147725       3.58128205       1.53016464      -0.83095133       0.75797784       0.21427323
Cl       7.24300468       1.44518897       2.33468813      -0.55762720      -0.48927403      -0.31243719
Cl       7.79707746       9.82463013      14.60290695      -0.35197210       0.62214019       0.72100975
Cl      11.26582794       2.91645646       3.08803953       1.16381537      -0.80950089      -1.21089099
Cl       8.80736245       3.29262499       4.87052183      -0.12997535       0.24831974       0.10251568
Cl       6.55812775       3.20827410       8.36436590       0.15496926       0.73215209      -0.68333902
Cl       1.64803244       8.80940581      11.60090886       0.77955612      -0.35132418       0.97429147
Cl       9.42879246       6.43771677      13.58117035      -0.41025163       0.83249186      -0.29799524
Cl       6.45834143      12.55520003       1.52434328       0.18570250      -0.32633681       0.07453817
Cl       9.12643463      10.05288324       4.31975664       0.19142600       0.06096680      -0.14892619
Cl      13.72508726      11.53835866      12.87525714      -0.47691433      -0.01492546       0.63289299
Cl       3.53381446       7.47628533       7.23531637       0.72570632       0.07784300      -0.27557435
Cl       7.49495484      10.63748875       8.35256147       0.06909727       0.25889803      -0.58726053
Cl       0.53500489       8.79323537       8.41927189      -0.71386357       0.09398817       0.30850191
Cl       6.08712693      11.33114182      11.64293731       0.13980243      -0.06367876       0.34471941
Cl       0.65182897      12.64650421       5.12635289       0.78736380       0.62784279       0.53800427
Cl       5.71235493      14.28180611      10.26152602      -0.00515981      -0.73469508       0.44594208
Cl       1.92175389       7.70199527       3.54886767       0.46495127      -0.59224769      -0.91237400
Cl       9.49764913       8.84164378      11.59668985       0.63964264       0.15707875      -0.03823862
Cl       4.07464217       2.50411024      10.50574376       0.37123161      -0.52233346       0.20964110
Cl       4.03571551       4.21369326       1.95291874       0.65392429      -0.77115085      -0.19299531
64
Lattice="14.7378 0.0 0.0 0.0 14.7378 0.0 0.0 0.0 14.7378" Properties=species:S:1:pos:R:3:forces:R:3 energy=-218.28063986 stress="-0.005519962315755194 0.0039310926699549055 0.0015274326801611013 0.0039310926699549055 -0.006603767183119291 -0.0017514236842370483 0.0015274326801611013 -0.0017514236842370483 -0.006341803499121438" free_energy=-218.28063986 pbc="T T T" config_type=density 
Li      12.77285334      13.21700642      12.25104679       0.11405397      -0.69550696       0.15479705
Li       0.41438272      10.26380184      11.67980966       0.28782599      -0.41016677      -0.80257290
Li       6.11559749       2.79696916       2.18173970      -0.49657881       0.92535106       0.16917149
Li       9.63328928       1.86767718       2.74103921       0.27531798       0.61898595       0.01636352
Li      11.40163369       1.54194232      13.15248433      -0.58363732       0.84483841       0.40321325
Li       7.47813657       3.45234439       6.45714600       0.63094782       0.12577514      -0.73058675
Li       5.64162984       1.79073113       8.81935006      -0.55015143      -0.88591012       0.90776262
Li       8.52555202       8.53657589      13.50648629      -0.00570112       0.10076075      -0.05750302
Li      10.92020871       4.70237511       4.14497677      -0.12530172       0.37073864       0.23213577
Li      13.84227232       2.58141410       2.89516712       0.44664704      -0.04143115       0.01556013
Li       7.78737983      10.92878611       2.11919248      -0.43043094       0.77141707       0.74207907
Li       5.52337373      14.29208471       1.56363637       0.33184237       0.41756965       0.14407105
Li       7.75651888      10.74049598       6.11866295      -0.15996967      -0.13089076      -0.90862850
Li       6.56240337      11.29624368      13.64823445      -0.19661032       0.35962440      -0.40153882
Li       6.42441335      12.47665304       9.19699145      -0.26532414      -0.23438987       0.51513801
Li       9.70342647       4.55098843      13.60724862       0.76175087      -1.43219954      -0.31485914
Li       0.24950359      13.42080072       7.19368230      -0.11186975      -0.33666490       0.10374061
Li       8.72738619      10.09667519       9.70587295       0.03322060      -0.20400569       0.53984655
Li      13.55759698       0.37391272      10.02027443      -1.06539481       1.81785120       0.45943957
Li       2.74952818       2.60999069       1.20783198      -0.29142347       0.55476431      -0.00897066
Li       1.94267784       7.52952728       5.97440936      -1.53842643       0.83547609      -1.15138831
Li       0.46982190      11.64208090       3.83658831       0.06819716      -0.53625269       0.39234111
Li      13.75862057       7.75113958       3.25008282       0.42698674       0.22772463       1.02785816
Li      10.33485277       9.07344447       5.14636607       0.41694776      -0.40374410      -0.06975696
Li       2.47036477       5.78498442       2.93734670      -0.23986986       0.36032483       0.06134595
Li      14.53707116      10.85514133       0.10660337       0.02973772      -0.14154337       0.17935122
Li       2.51519716       4.08462548      11.60936298       0.29362681       0.47597672      -0.17488760
Li       3.94583962       1.60157146      12.93395223       0.03769776       0.80326263      -0.16124828
Li      10.40572685       6.63881886      11.23695351      -0.50947885       0.65067107       0.21712184
Li       2.21261539       7.33043434       9.55206927      -1.08641583       2.09338901      -0.83157650
Li      13.69079721       8.36259616       7.34981455      -0.18453003      -0.15027082       0.24263784
Li       4.57137080       4.74016283       8.90547777      -0.05289100       0.03741994      -0.28947666
Cl       9.15859948       8.61303560      11.21835441       0.20177998       0.15273061      -0.08450000
Cl      14.44705268       8.79612329       5.46583736       0.47961140       0.31292748      -1.28352554
Cl      11.66666355       8.88281103       6.89515342      -1.69187890       0.61777677       0.47590095
Cl      11.91860624       6.66123506       4.48925178      -0.13653986       0.03175139      -0.71899366
Cl      14.42002356      10.52973070       2.23089026      -0.42210291      -0.21142100      -0.74538748
Cl       9.93772802       2.49701072      14.58322995       0.52326297      -0.22593259      -0.32458376
Cl      11.24696048       4.79227569      11.56604859       0.37135003      -1.10207134       0.14116530
Cl      11.82006931       3.03607523       3.04450525      -0.56275423      -0.49886050      -0.25906366
Cl      12.13560561       0.27378264      11.52854089      -0.80013800       0.62119735       0.19736016
Cl       3.82462122       4.33843987       2.23184822       1.16518164       0.36631291       0.14484299
Cl       6.28593698      14.55661349       9.44222844       0.02810575       0.64103633      -0.24222239
Cl       1.20436123       2.65725482       2.80165578      -0.41416912      -0.29159646       0.16263417
Cl       4.64358602       1.53296700       1.23881820      -0.53037586      -1.26208624      -0.90093295
Cl       3.36819155       7.24194859       7.30617592       1.48816497      -0.45155086       0.49895621
Cl       2.65312823       3.41830007      13.73086929      -0.23233805      -0.52351329      -0.01874931
Cl       4.09363028       2.76691879      10.72678983       0.35866639      -1.10141479      -0.04944284
Cl       3.25238192       5.74797780      10.04509289      -0.12076787      -1.19183634       1.88874208
Cl       1.66128903       7.80751167       3.36374073       0.25304068      -0.78201530      -0.42792606
Cl       0.75082901      13.09836713       5.30839344       0.42114951       0.34636082      -1.00208280
Cl       0.63305630       8.78266768       8.52144017       0.01248552       0.07395857       0.52402865
Cl       0.00870311      13.98577428       9.12056122       1.48645536      -1.25537901       0.01073027
Cl       1.86757402       8.79377998      11.37995439       0.36065400       0.02304335       0.99302592
Cl       7.66592562       1.40906043       1.94294313       0.45250557      -0.82854767       0.33111903
Cl       8.94699415       3.62627990       4.76589503      -0.29639366      -0.16871584       0.11325462
Cl       6.17394444       3.63529944       8.08499496       0.64466211       0.55821855      -0.48456332
Cl       9.13902768       6.44270296      13.61435224      -0.55504068       1.26533112       0.44295321
Cl      13.68260300      11.40127998      12.83357308      -0.02728696      -0.13429573       0.39370307
Cl       8.29926784      10.25877625       4.06123659       0.61064670      -0.40483177       0.85284713
Cl       7.92839110      10.21964739       0.27755993       1.25365088      -2.04056920      -2.12198546
Cl       7.74020413      11.07190489       8.11746234       0.01822506       0.25340122       0.01649512
Cl       6.35090120      11.59288612      11.28527876       0.22690431      -0.31332641       0.64732329
Cl       6.31477886      12.37009874       1.11461981      -0.82751181       0.73497307       0.20789634
64
Lattice="14.8229 0.0 0.0 0.0 14.8229 0.0 0.0 0.0 14.8229" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.5996001 stress="-0.004178773009842687 0.0037165941586556946 0.0020218361620971174 0.0037165941586556946 -0.0045861153973967665 -0.0010066572118588738 0.0020218361620971174 -0.0010066572118588738 -0.004640923381023536" free_energy=-217.5996001 pbc="T T T" config_type=density 
Li      10.00880748       5.01615830      14.13836366      -0.16369847       0.58672148      -0.23856882
Li       8.03739142       4.19053759       6.98594383       0.47150140       0.29393407      -0.21033186
Li       6.35967631       1.81055794       9.53874367      -0.50564565       0.97639777       0.18635840
Li       5.10714126       5.31512137       8.85847632      -0.11178831       0.02536295      -0.21479748
Li       7.78292670      11.50700245       2.46424783       0.76545180      -0.75859779       0.97126080
Li       5.98674697      14.26090457       1.03144409      -0.51775899       1.04743703       0.41109324
Li       7.60767555      11.29410113       6.10294368       0.44186444      -0.18288573      -0.12781153
Li       5.76458134      12.71435730       9.63875378       0.04320578       0.15467042      -0.05850997
Li       7.91447993       9.66075096       9.61942472      -0.13406437       0.38923490       0.18127517
Li       9.57160604       2.40473389       2.83913380      -0.60965651       0.29059249      -0.13689919
Li       8.40268697       8.62245128      13.07147060       0.04809627      -0.23817071      -0.15648362
Li      13.50945765       1.80735620       3.27239234      -0.72042316       0.48203224      -0.00261201
Li      10.95725073       5.31249771       4.34247232      -0.22833736      -0.46220130       0.26663125
Li      11.72408382       1.69375349      13.44600082      -0.84763474       1.53172117       0.60499366
Li      10.82677957       6.34320807      11.11388432      -0.85223390       1.30280897       0.44924568
Li      13.31618186      14.79858437      10.68052201       0.18581188       0.41418972      -0.95403289
Li      13.97044984       7.84330037       3.26944258      -0.27181272       0.07240144       0.23784810
Li      10.38643568       9.21684957       4.35647996       0.15389532       0.25069849       0.83716801
Li      13.60297533       9.04774993       7.32353538      -0.30932001      -0.22497959      -0.18118577
Li       6.76272578      11.51423602      13.54836777      -0.22841266      -0.59348759      -0.21707278
Li       5.43549814       2.97849870       1.90896718      -0.08223467      -0.29276975      -0.04305179
Li      13.30115144      12.78776030      12.85161735       0.16119013      -0.57441385       0.07811766
Li       3.53569151       1.63235704      11.97236739       0.75734751       0.17995440      -0.54233416
Li       0.39428618       9.84104189      10.99128411       0.71564550      -0.84211707      -0.86125331
Li       2.56532519       7.71537874       9.49439355      -1.18972360       1.86414315      -0.80331492
Li       3.00461665       4.97721854      11.64876866       0.25176661      -0.81899558       0.55638835
Li       2.39432821       1.16215093       2.61895444       0.44806457       0.60166599      -0.20838222
Li       1.63901252       7.36744081       5.51483030       0.49250848       0.15634382       0.92121855
Li       0.12936493      13.70621683       7.06930782      -0.29062092       0.43384580       0.76490574
Li       2.44760172       5.14059654       2.84801271      -0.83241392       1.39167692       0.48986110
Li       0.34345993      10.48153940      14.77117505       0.33608948      -0.24114839      -0.46232140
Li       0.44207521      11.50185890       3.71306234       0.03868795       0.26223135       0.68875969
Cl      10.33631945       3.11144529      14.68547393       0.65582293      -1.67768536       0.15118213
Cl       3.56358821       7.17025177       6.75202365      -0.07939601       0.00882753      -0.13677882
Cl       1.00133136       6.66019578       3.59443467       1.06628401      -1.42441984      -2.06672929
Cl       4.43238803       0.73196814       2.19487127       1.03097628      -1.31503823      -0.44815423
Cl      12.05742119       4.81501154      10.80436734       0.48245336      -1.06934678      -0.00089671
Cl      12.69439085       0.04735694      12.67730005       0.20051954      -0.72021729       0.30278909
Cl      11.49287622       7.42299704       4.43194334       0.06498352      -1.07979847      -1.30629121
Cl       0.46271461       0.90386190       3.30122288       0.24530592      -0.62298579       0.10392848
Cl      11.22086119       9.51677613       6.62171553       0.06000754       0.59323228       0.49172613
Cl      14.33688675       8.03430826       5.41479055      -0.43030059       1.39651486       1.43173587
Cl      14.50905474      14.03280978       9.11667642      -0.04500335      -0.05432216       0.51154466
Cl       2.72409327       3.14463377      13.17140660      -1.20282411       0.29031089       0.81993524
Cl      11.57776697       2.62071837       3.61592787       0.34915422       0.16807094      -0.13498829
Cl       2.40989226       8.94845132      11.41535246      -0.04218272       0.40869387       0.59517348
Cl       5.59389565       0.02371664      10.42098786      -0.23942685      -0.37091136      -0.06327047
Cl       7.47982804       2.54363929       1.91119061       0.86500113      -0.33105176       0.03896344
Cl       0.48644607       8.50133337       8.82204163      -0.78520531       0.51343261       0.00802087
Cl       6.30400150       3.81743037       7.98180555      -0.14487320      -0.95904018       0.15863922
Cl       0.67146403      12.89866524       5.35792990       0.41787732      -0.66726817      -1.16221175
Cl       9.30335602       3.92520768       5.37383487       0.28497627       0.22210873      -0.52856401
Cl       9.89644989       7.02729972      13.64066996       0.31612362       0.10318304       0.11606666
Cl      14.39050118      10.83473946      12.77354514      -0.61440933       0.69347265       0.21732400
Cl       6.76890693      12.30681649       0.93234262      -0.38287812       0.48430147      -0.86468124
Cl       9.09210005      11.05840220       4.28676786      -0.76211689       0.41070677      -0.29690652
Cl       0.26061178      10.30224160       2.01034099      -0.26721688      -0.51731058       0.09103428
Cl       6.83729979      11.24352540       8.11659018       0.07496516      -0.11057075      -0.15767294
Cl       3.62411011       6.16860913       9.99731973       0.60288852      -1.06876647       0.78678293
Cl       4.92868836       3.31536393      11.14250734       0.76484240      -0.26913778      -0.71955818
Cl       6.28287886      11.57849329      11.37255874       0.33332000      -0.38536396       0.52422451
Cl       6.72919638       9.33349097      14.22626345       0.06928947       0.18957801       0.19939424
Cl       9.37824131       8.68583400      11.00803399      -0.07243103       0.11748741      -0.65658578
Cl       3.44261853       3.55294537       2.27589324      -0.23187400      -0.43498335      -0.23133747
64
Lattice="14.762 0.0 0.0 0.0 14.762 0.0 0.0 0.0 14.762" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.37508616 stress="-0.006570958671674559 0.003688904096633789 -0.00014857299557968935 0.003688904096633789 -0.004590414124460054 -0.0016319805732119695 -0.00014857299557968935 -0.0016319805732119695 -0.003069808556777063" free_energy=-217.37508616 pbc="T T T" config_type=density 
Li       0.72234452      10.33886194      11.42885850       0.24346351      -0.41925350      -1.12176176
Li      12.97052797       0.34869468      10.09425560      -0.36672344       0.31993928       0.34514981
Li       7.78074020       3.41015486       6.59830400       0.06192699       0.39822803      -0.04122110
Li      10.68655133       6.75156308      10.97994608      -0.82238194       1.40729534      -0.32594775
Li       5.79511834       1.48107146       8.79447626      -0.43890514       0.82426209       0.48740467
Li       4.97551734       4.97658020       9.10449302       0.05953494       0.03746082       0.04140477
Li      11.10235258       1.49392916      13.32982028      -0.44713993       1.21166361       0.82385229
Li       9.73996760       4.71647376      13.77034789       0.99128350      -0.85368574       0.16542820
Li      10.07941979       2.13995857       2.51578433      -1.49365528       0.01498372      -0.74658536
Li      10.80390923       5.04720161       4.09150973       0.73607185       0.79222457      -0.26168288
Li       7.46746103      10.41249480       2.37829106      -0.75649932       0.50839603      -1.89850585
Li       5.88205176      14.31413568       1.28789150       0.10834922       0.97469811       0.27687451
Li       7.53670958      10.84217233       5.85564254      -0.46177824       0.07122965       0.96389556
Li      13.82502634       1.97363511       2.95938243      -0.81457930       0.20493448       0.10336411
Li       6.21313389      12.65248068       9.15366525       0.01849931      -1.01371072       0.48004318
Li       8.35335818       8.20229863      13.25022358      -0.07287460       1.48781122      -0.07554534
Li       5.96700707       3.21668409       2.25074738       0.05509232      -0.10982868      -0.28686060
Li       6.36786918      11.98442637      13.58189620       0.29212945      -0.44880075       0.48625836
Li       8.53124028       9.72988515       9.85193737      -0.42917156       0.40379182      -0.37253289
Li       4.06443622       1.42503786      13.06388285       0.13311690       0.76087297      -0.32979426
Li      13.73224717       7.82718145       3.75155563       0.01574159       0.39761306       0.25747494
Li      14.48023771      10.89197932       0.13743009       0.25799193      -0.34430456       0.48544740
Li       0.27768355      13.37748678       7.30466570       0.39569821      -0.56153029      -1.04065653
Li       0.56409440      11.61199587       3.83587618      -0.32809899      -0.87817189       0.03706393
Li       2.62815267       2.10978504       1.49325011       0.62432843       0.54572629      -0.77921876
Li      13.28411713       8.57992535       7.31209098       1.17711225       0.23823998      -0.07711158
Li       2.53064966       4.73662389      12.01461466       0.51853894       0.03045128      -0.63426983
Li      12.99225763      12.85835153      12.41135817      -0.50114990       0.30088940      -0.26839197
Li       2.30923442       7.72507270       9.37178856      -0.18441601       0.21061929      -0.89289847
Li       2.58829527       5.25584772       2.90573732      -1.00345557       0.63884691       0.32642347
Li       2.13756712       7.36368417       5.25178817       0.39661293       0.94068953       1.15324298
Li      10.49702201       9.64041267       5.26049775       0.46001093      -0.47988278      -0.67795908
Cl      11.79579753       2.68359874       3.45684706       1.27181324       0.24027501       0.62318297
Cl      14.37868991      11.39517161      12.78628344      -0.25261308       0.25833310       0.79975055
Cl      11.47702690       5.16324569      11.81891482       1.11678359      -1.87790405       0.57737571
Cl      13.83202352       9.59301189       5.20993790       0.58885653       0.45037167      -0.34585740
Cl      10.58739497       2.97885350       0.29112878       0.06817387      -0.38674047      -0.51915570
Cl      11.23284866       8.85064567       7.04352592      -1.27683318       0.07511138       1.33808355
Cl      11.49443130       7.66144848       4.06577956      -0.49555508      -1.01157983      -0.73670880
Cl      14.41019202      13.97596779       9.11309927      -0.27751614       0.17045477       1.17152072
Cl       4.12578709       4.02068165       2.53366111      -0.32595413       0.28528277       0.13417500
Cl       8.48066567      10.22916552       4.10442648       0.92858907      -0.19876840       0.60096219
Cl       7.94248743      10.34324625      13.86972567       0.24262472      -0.46233912       0.69356201
Cl       1.07685690       1.91095566       2.78973752      -0.05421600      -0.17667443       0.56757098
Cl       4.58398481       1.27116320       1.08422019       0.05069011      -0.60029846      -0.83471961
Cl       0.97911475       6.50660245       3.88571269      -0.93917291      -0.81434064      -1.36281112
Cl       3.49561208       7.18425206       6.78762665       0.63192593      -0.03663340       0.16315469
Cl       2.40304693       3.08902231      13.45249250      -0.29496595      -0.26494578       0.58195301
Cl       4.88849535       2.52331295      11.13271801      -0.26360828       0.09438159       0.29225024
Cl       3.33104530       5.87998508       9.83847443      -0.92427065      -0.40696267       1.34939684
Cl       0.56953272      10.20070438       2.00541770      -0.10249867       0.26502943      -0.18979159
Cl       1.17618449      12.84161142       5.45015992       0.25056708       0.44050528      -0.01737871
Cl       0.53518007       8.75965270       8.44929642      -0.92670114      -0.00630236      -0.45447866
Cl       2.18840745       9.00573524      11.06546234       0.99725459      -0.05959591       1.24569393
Cl       7.62253584       2.06098187       2.13632712       1.45410806      -0.85728148       0.18869089
Cl       6.34804381       3.61759048       8.36841542       1.19119160      -0.60950309      -1.15192204
Cl       9.34409505       3.98426380       5.10248530      -1.04874162      -0.39550140       0.67150939
Cl       8.79847676       6.26288183      12.91576095      -1.19764786      -0.09533225      -0.25882914
Cl       6.18480562      12.29854696       1.18915143       0.15042438      -0.91371733       0.31505797
Cl       9.90432771       8.96356021      11.26240218       0.35805852      -0.19636565      -0.01230496
Cl       7.24709390      10.86474343       8.07615734       0.23348059      -0.03318528      -0.14597443
Cl       6.05578574      11.96012811      11.54617211      -0.21245835      -0.35516242      -0.75032136
Cl       6.01306451      14.54398002       9.90003197       0.27663138       0.27182588      -0.30371019
Cl      11.84135306      14.68318568      12.21125926       0.35690580      -0.40413503      -0.83231110
64
Lattice="14.8705 0.0 0.0 0.0 14.8705 0.0 0.0 0.0 14.8705" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.85694201 stress="-0.0018315129442687723 0.0026825710313098587 0.0028370028940569595 0.0026825710313098587 -0.0023177765808027953 -0.0024109635353880207 0.0028370028940569595 -0.0024109635353880207 -0.0029283875317424684" free_energy=-216.85694201 pbc="T T T" config_type=density 
Li      14.75290409      10.04259886      11.00849732       0.78653003      -0.73663675       0.24024920
Li       8.50735357       8.13684019      13.56997068      -0.54753525       1.64208108      -0.13744344
Li       5.50221883       2.45100042       2.70121145       0.38331731      -0.44612847      -0.39605939
Li       9.53459284       2.22322897       3.05799936      -0.91553265      -0.05867461       0.00889249
Li       8.19052270       4.06678434       6.75664960       1.34300119       0.42714994      -1.11314230
Li       6.21545263       2.15199928       9.04829775      -0.79211288      -0.61406827       1.45404503
Li      10.25816163       4.59865751      13.75250607       0.52290867      -0.58039646      -0.40856453
Li      10.54192051       6.47559715      11.31835392       0.32155069      -0.09392418      -0.48730254
Li      11.75255765       1.05043428      13.73180633       1.41164166      -2.09256429      -0.85146991
Li      11.26926640       5.57025137       4.55562229       0.40731909       0.50103714      -0.24638398
Li      13.47570658       1.83098979       3.78528577       0.06162431       0.26519261      -0.19356149
Li       8.17626189      11.45299143       2.25737164      -0.44009152      -0.08885813      -0.97012993
Li       5.84633708      14.24583491       1.54627920      -0.58754342       1.76979974       0.55500114
Li       7.72824346      11.34971581       6.22608503      -0.15232578      -0.10207576      -0.07477504
Li       5.57654159      12.89583143       9.52033203      -0.59956615       0.20519598       1.25759730
Li       8.21395860      10.75068746       9.54046669      -0.09620912      -0.54781585       1.14623271
Li      14.07048197       8.52021655       3.05090613      -0.06038719      -0.88194111       0.62893412
Li       1.71639772       7.46591297       5.31596582      -0.15153209      -0.00161036      -0.28105034
Li      13.82443468       0.17648904      10.36008403      -1.11677057       1.72802634       0.87331393
Li       1.97123348       7.94285452       9.11262753      -0.03917861       0.32880831       0.71334485
Li       2.57748889       1.01852516       2.97467995       0.10880512       0.38830280      -0.26110440
Li      13.70294269      12.92140869      12.50185241       0.28808724      -0.81155033       0.22461866
Li       2.80451682       5.10444783       3.15340849      -0.25701991       0.73438371       0.21861227
Li      13.13106787       8.36498340       7.33460646      -0.10969166       0.23665701      -0.06399532
Li       4.91596424       5.21161952       8.25419818      -0.49271081       0.31407758       0.31991555
Li      14.75459932      10.01681341       0.11792232       0.30386970      -0.19905437      -0.31804093
Li       3.99195598       1.52488055      12.25373812       0.03673654       0.50252585      -0.36029595
Li       6.68781406      11.82231517      13.57322732      -0.39256634      -0.12488999      -0.67131499
Li       0.22248350      11.65313349       4.06260573       0.14199906      -0.16014710       0.16138502
Li       0.41906259      13.44357143       7.26904242       0.25759346      -0.30142815      -0.57173177
Li      10.62827350       9.78160671       4.69773966       0.20821983      -0.97510440       0.13955646
Li       3.13876105       5.07708611      11.34137346       0.20014443      -0.69511882       0.67234625
Cl      11.55207357       4.52063200      11.17595402      -0.12649601       0.20720703       0.08857347
Cl      11.91141920       7.50729757       3.63137610      -0.30848358       0.29318146      -1.33638420
Cl      14.23555939       8.19592069       5.42975489       1.06184533       0.45822835       0.38588791
Cl      14.11824602      10.74601812      13.04520561      -0.45596564       0.71520545      -0.06043066
Cl      10.82202125       2.50616998      14.32052943      -1.85492750       2.49481656       1.31128173
Cl      11.55021476       2.77266421       3.09252866       1.14591282      -0.27940351      -0.08811852
Cl      14.71256042      10.56544564       2.20944402      -0.18694349      -0.03578264       0.02806072
Cl       9.05235739       9.62986813      11.39203725       0.33616724      -0.08269554      -0.89304218
Cl      10.82205099       8.29298044       6.43393001      -0.07761282       0.60485550       0.80830271
Cl       3.56206470       3.23762013       2.81929810      -0.00967313       0.57865480       0.67316836
Cl       5.60040875      11.61696843      11.45517739       0.51510001      -0.04554800       0.15250305
Cl       0.78262549       1.94364870       3.85545966      -0.58656469      -0.19938697       0.19953395
Cl       4.22820362       0.89182404       1.35424454       0.03628545      -1.33082102      -0.48877424
Cl       1.46111585       6.77184725       3.10366667      -0.49909715       0.46932671      -0.20000331
Cl       3.83000137       7.30311074       5.85670181       0.05656170      -0.19075564       0.32393736
Cl       3.24096599       6.12896580       9.45481260      -0.01253764       0.06205129      -0.59448990
Cl       2.81227922       3.38228035      13.02187379      -0.04723369      -0.11470765      -0.26984336
Cl       0.85486936      13.37940522       5.14925265      -0.02389414       0.00770312      -0.05951460
Cl       0.30740298       9.56950877       8.95961008      -0.91112718       0.17153999      -1.61375060
Cl       0.05602877      14.07452675       9.19034076       1.20385556      -1.16480818      -0.72922147
Cl       1.63517505       8.54256691      11.51291955      -0.00354072      -0.13058051       0.40576874
Cl       4.55349580      14.67136913      10.70537704       0.16866420       0.56344969      -0.45146081
Cl       7.35549951       1.12739060       2.67648181       0.58695372       0.17478312       0.30024406
Cl       6.58247144       3.79645352       7.90280826      -0.08210012       0.41597643      -1.03036937
Cl       9.61398644       4.33778433       5.00636201      -1.09883193      -0.40588979       0.60672191
Cl       9.26649259       6.34461779      13.01820078      -0.27400869      -0.69654184       0.33517295
Cl       5.35409378       3.57070446      10.61548487      -0.21194584      -0.30867542       0.34331115
Cl       6.74070843      12.61706904       0.90253823       0.63232010      -0.89110849      -0.01166821
Cl      12.91397344      14.85910920      12.24060746      -0.24598017       0.00027347       0.29074969
Cl       6.66234089      11.57547974       8.16146574       0.52212154      -0.12306615      -0.91564096
Cl       7.80194166      10.12261702      14.31996435       0.48088487      -0.72898156       0.88916371
Cl       8.92781696      11.32622042       4.30112855       0.23771722      -0.01975074       0.39265221
64
Lattice="14.9244 0.0 0.0 0.0 14.9244 0.0 0.0 0.0 14.9244" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.47377048 stress="-0.0012375296794743993 0.0010438837942628903 -7.564101137581648e-05 0.0010438837942628903 -0.0019677359843297496 -0.0005584631047438638 -7.564101137581648e-05 -0.0005584631047438638 -0.005814594545355633" free_energy=-216.47377048 pbc="T T T" config_type=density 
Li      14.73550187       9.45133896      11.06656200       1.09421994       0.22102587       1.33108041
Li       8.67871769       8.37155862      13.64736387       0.15643140      -0.21933391      -0.56070332
Li       5.49876086       2.50232937       3.54076913       0.06128009      -0.22765818      -0.39637876
Li       9.92135309       1.42682786       3.01954938      -1.57726367      -0.53020118      -0.14555727
Li       8.32039777       4.89860596       6.53543953      -0.46244635      -0.30298739       0.05188362
Li       6.10455718       2.13020439       8.40537731      -0.15786724       0.41140999       0.02582302
Li      10.00428798       4.67987396      13.90258603       0.16175932      -0.65443947      -0.14463807
Li      10.75835821       6.56649721      10.63950029      -0.76216324       0.78313104       0.25709802
Li      12.01421662       1.32928646      13.04753730      -1.04976537       1.37268563       0.64576686
Li      11.05223457       6.40680613       5.21767471       0.09068780       0.17691417       0.23398002
Li      13.59259132       1.85138674       2.81786104       0.77605557      -0.14735438      -0.09654241
Li       7.69597580      11.29399493       2.53393925       0.76041705      -0.93466061       0.75934932
Li       5.99422109      14.28011365       1.64157953       0.28949006       0.26426428       0.15220701
Li       6.66119253      11.51396566       6.44692292       0.52536918      -0.30149709      -0.65749701
Li       5.72779070      12.64593663       9.90650331      -0.29629775       0.36946681       1.10461160
Li       7.91461826       9.86608803      10.09613273      -0.57725229       0.51584343       0.18413502
Li      13.69568907       8.69389581       2.96110543      -0.15445722      -0.36508561       0.69863314
Li       1.99110898       7.42315777       5.41970631      -0.16135280       0.27335706      -0.09743776
Li      13.87252829       0.44729621      10.67557256       0.33309234       0.62408935      -0.79432511
Li       2.12662253       7.86475584       9.03742565       0.10983351       0.54389891       0.62292426
Li       2.64255904       0.93771050       2.88815496       0.73605811       0.32417886      -0.18016137
Li      14.01368326      12.70987275      12.73719933       0.15250776       0.03489280      -0.19713365
Li       2.57059358       5.20579489       3.23201314      -0.69679236       1.32244403       0.01637192
Li      13.77110207       9.04372374       7.19915745       0.28825106       0.24021627      -0.28629828
Li       4.81752170       5.57338286       7.83695168      -0.26883541      -0.21826153       0.50420735
Li      14.88720840      10.13080212       0.00822215       0.40013599      -0.38562854       1.14728012
Li       4.37640121       1.78555522      12.06613861       0.80545300      -0.88190529      -1.01989434
Li       7.06731530      12.22368058      13.64346860      -0.08256457      -0.89321988      -0.14316977
Li       0.35884824      11.55706733       3.86885221      -0.27897734      -0.48397261       0.31265320
Li       0.43453585      13.40108142       7.41112870      -0.15597728       0.30929852       0.90574091
Li      10.34932518       9.71538144       5.51232714       0.12231985      -0.18649166      -0.07858066
Li       2.96800050       5.10142856      11.72266847       0.19590322       0.60855971      -0.83490563
Cl      12.05167687       5.01383726      10.70852564       0.67515270      -0.88125661       0.03640478
Cl      10.73252407       8.25490951       3.91528202      -0.13353733      -0.44581726      -1.48431505
Cl      14.22784840       9.35847934       5.01973239       0.78211740       0.64756021       0.19972561
Cl      14.60039128      10.65343968      13.03080705      -0.35782321       0.31696646      -1.10531055
Cl      10.32452083       2.38024778      14.00026623       0.18556497       0.06417572       0.08601306
Cl      11.67244786       2.31107319       3.22892379       0.40917925       0.76857152       0.18490225
Cl       0.09342674      10.27644933       2.15870999       0.06448329       0.28266592      -1.27094751
Cl       9.13815042       8.29636949      10.75926860       0.24768086       0.10549544      -0.64116724
Cl      11.89537362       8.42233143       6.61450900      -1.55558417      -0.64225993       1.24519016
Cl       3.32861878       3.33002167       3.13619849       0.65866652      -0.59764862       0.43567478
Cl       6.75663407      11.28908480      11.60084059       0.07417839       0.62864272      -0.09163489
Cl       0.62412199       1.04377075       3.02960843      -0.97190447      -0.26932409       0.05932504
Cl       4.33644859       0.81871229       1.50655848       0.46114645      -0.46135785      -0.01350619
Cl       1.12821450       7.26530239       3.39716655       0.52630327      -1.06274247      -0.28918329
Cl       3.83691400       7.02446735       6.52051513      -0.32194591       0.46845647      -0.57502572
Cl       3.35527376       6.11894430       9.62868560       0.01830053      -0.70225147       0.32399759
Cl       3.49763761       3.44359636      12.83314830      -0.76567690       0.43224522       1.21081712
Cl       0.76904836      12.68171041       5.58274046       0.48193599       0.07345768      -0.66664153
Cl      14.54398003       9.00330847       9.17599870      -0.01342840      -0.54316062      -1.44956225
Cl       0.03732145      14.17138940       9.38501492       0.17306755      -0.22789857      -0.02403619
Cl       2.59609938       9.29094643      10.84984478      -0.62084811      -0.02679475      -0.04196954
Cl       4.77403200      14.71566734      10.89696111       0.09865229      -0.70416459      -0.20390961
Cl       7.70981072       0.85151612       3.16431606      -0.41534954       0.09434558       0.00769478
Cl       6.02580112       4.01693211       6.60910637       0.54139442      -0.30102955       0.02309938
Cl      10.21737856       4.25966255       5.80387529       0.04754229       0.52939579      -0.07745372
Cl       9.79428674       6.61882216      13.10953326       0.43272131      -0.48879082       0.65520377
Cl       5.66779461       2.92701810      10.30795474       0.24102726       0.33737213      -0.16986116
Cl       6.77527464      12.22351641       1.04302304      -0.99402139       1.79709219      -0.57281048
Cl      12.97012444      14.60619687      12.36640261       0.03005446      -1.05500805       0.44895408
Cl       6.47390623      11.12927432       8.51213154       0.11718806      -0.22905286      -0.77730214
Cl       7.41221818       9.80100272      14.36754079      -0.04258278       0.08568038       0.47259066
Cl       8.41800335      10.83442788       4.57171683      -0.45090745       0.34345528       0.74452164
64
Lattice="14.9415 0.0 0.0 0.0 14.9415 0.0 0.0 0.0 14.9415" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.76162673 stress="-0.000968133662583026 0.0007845991469856306 -0.0001917109487258847 0.0007845991469856306 -0.003749757799486672 -0.0012584185375225769 -0.0001917109487258847 -0.0012584185375225769 -0.004468171272169396" free_energy=-217.76162673 pbc="T T T" config_type=density 
Li       7.75447414      11.33003486       2.77705707       0.12037984      -0.04888361      -0.65485297
Li       6.07866539       2.36758527       8.44515992      -0.03875665       0.12434610       0.34929298
Li       5.98100774      14.48596355       1.34358600       0.52373462       0.06595781       0.09859262
Li       6.68236175      11.60840995       6.56752138       0.34826255      -0.29787467       0.31085964
Li       5.68465803      12.75954793      10.19724504      -0.05978912       0.65653837       1.04515089
Li       8.72988515       8.29027633      13.56262367       0.27625201      -0.42298232      -0.59655098
Li       7.04732283      11.86715190      13.66410634       0.08650153      -0.40094445       0.97960820
Li       7.40754745       9.52435458      10.19881389       0.40172901       0.24004934       0.44740641
Li      13.66619815       1.66307860       2.81323044      -0.54704351       0.06042303       0.07918976
Li       8.23390205       5.10111775       6.38626605      -0.45010520      -0.23070233       0.22905492
Li      11.40239654       6.45232242       5.50737713      -0.12620833       0.71492750      -0.27117506
Li      10.77873833       6.37290835      10.68645963      -0.36392307       0.37993132       0.18281219
Li      10.33412412       4.66995088      13.84119300       0.00702780       1.43722291      -0.29802332
Li      14.35864703       0.23140798      10.45338717      -0.43986350       0.74107768       0.25141495
Li      13.58824834       8.74464735       3.24447202      -0.49651182      -0.05335680      -0.32649371
Li       0.02002161      10.25302166       0.08832205       0.12385043      -0.07080187       0.25228141
Li      13.60301055       8.91093130       7.43901425       0.84476751       0.35219231       0.02449562
Li      10.55201601      10.01076018       5.47501384       0.17390699      -0.73211105      -0.30925718
Li      13.87404936      13.01043066      12.46596240      -0.18787319       0.15834052       0.13651684
Li      11.58508626       1.56999305      12.76274541      -0.28369037       0.57728393      -0.08499930
Li       9.57422931       1.27438295       3.21089847       0.67828110       0.21696192       0.01489177
Li      14.87622059       9.71823549      11.33492073       0.85290632      -0.82910577      -0.77113486
Li       2.00316208       7.27373138       5.24875471       0.06547023       0.25118534       0.45657142
Li       2.51339936       0.93128128       2.72810872      -0.00387062       0.39803967       0.07494030
Li       5.52006247       2.61503145       3.19222159       0.80979950      -0.05892662       0.03332265
Li       3.15903652       4.88743936      11.60436080       0.11557120       0.21434863      -0.14182267
Li       2.15722389       7.89948140       9.14878504       0.12949939      -0.43549912      -0.10299172
Li       4.81781197       5.55260505       7.94732408      -0.50785159       0.26485181       0.59430031
Li       2.19964281       5.07410352       3.13940339       0.08421005      -0.14602261      -0.13998232
Li       0.46289962      11.49977030       4.04372274      -0.14355608       0.44940111       1.03628984
Li       4.39638696       1.55168972      11.64728773      -0.04921786       2.81167020       0.78964868
Li       0.29274881      13.50578621       7.33482717      -0.05855059      -0.39992990      -0.66859010
Cl       3.33492786       5.72444725       9.57136054      -0.15222020      -0.11003505       0.50318856
Cl      12.22113098       4.86009641      10.62017914       0.14459759      -0.39235164       0.10667626
Cl      10.40133099       2.73540017      14.01934050      -0.15889406      -1.80078158       0.50649963
Cl       7.62857706       0.81671434       2.85538042      -0.51840347      -0.09969632      -0.01211629
Cl      10.78792736       8.49711152       3.72219660       0.41837763      -0.06833187      -0.17841629
Cl       4.64202522       0.80972471       2.49339270      -0.58514513      -1.36145256      -0.39373425
Cl      11.70996732       8.27472223       6.83930727      -1.02760054      -0.16845303       0.59112039
Cl      14.04266418       9.62295354       5.09422972       0.67783654       0.43892925       1.16006859
Cl       0.33439077       9.39751619       8.97538893      -0.98633046       0.44173816      -0.94806109
Cl       0.45397208       0.44227886       2.86546593      -0.16945150       0.19183875      -0.56264144
Cl      14.66674076      11.09853126      13.03965623      -0.09036243       0.15094777       0.03852761
Cl       3.46980478       6.70426599       6.69924565      -0.26446885       0.75819834      -0.76667321
Cl       1.54979215       7.06604453       3.21426030      -0.57308803       0.38862666      -0.48392941
Cl      11.50767435       2.13854701       3.15102788       0.62745011       0.06657422      -0.03299192
Cl      10.23108753       4.69145170       5.81801092      -0.10168636      -0.30853077      -0.01014628
Cl       4.73890591      14.72256220      11.04251557       0.34700437      -3.07519101      -0.92173773
Cl       1.97368250       8.41297593      11.21882528       0.11643618       0.15796545       1.53466440
Cl       6.05886790       4.11727974       7.07686218       1.09408871      -0.36311747      -0.92732328
Cl      10.26930789       6.76104369      13.90215432       0.20647810       0.25666950      -0.00929545
Cl       6.07968141       2.81600956      10.51914471       0.11832236       0.02923234      -0.15180914
Cl       6.82364858      12.49615917       0.77529651      -0.37971348       0.66212557       1.16874764
Cl       8.41484362      11.08282774       5.00051663      -0.45668695       0.26066910       0.20502847
Cl      12.88318884       0.03526194      12.10841230       0.55058198      -0.70372884      -0.24602595
Cl       0.73892441      14.40684831       9.12462463       0.55320341      -0.04349587       0.43330587
Cl       0.77943978      13.49180096       5.26323302       0.10036284      -0.79092657       0.05869527
Cl       6.29062551      11.22293419       8.89737936       0.05225734      -0.54875297      -1.71254699
Cl       7.55273401      11.35071390      11.80504009      -0.01712113       0.02951097      -1.71381623
Cl       0.00793155      10.47789123       2.26112708      -0.09523012      -0.34208256      -1.38858820
Cl       8.16739744       9.93502171      14.66802573      -0.10391983       0.21787972       0.73643284
Cl       9.17210872       8.05178011      10.66141768      -0.34764168       0.12360858      -0.10445750
Cl       3.78267979       3.43669441      13.02550663      -0.26682029      -0.49980589       0.24309707
Cl       3.61904048       3.53532326       3.13182805      -0.59755127       0.51461124       0.25749086
64
Lattice="14.9868 0.0 0.0 0.0 14.9868 0.0 0.0 0.0 14.9868" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.80114416 stress="-0.0038017868947298524 0.0035827056739436355 -0.00038684681323743355 0.0035827056739436355 -0.0019640160636152505 -0.0009859111158489326 -0.00038684681323743355 -0.0009859111158489326 -0.005314571901410184" free_energy=-216.80114416 pbc="T T T" config_type=density 
Li       7.86922398      11.81160663       3.23439123      -0.11226151      -0.04601066      -1.19163211
Li       5.26014200       2.82207439       2.47240237      -0.04865245      -0.23258672      -0.35461486
Li       9.37881437       1.82985831       2.38612336      -1.13090296       0.31478271      -0.04532271
Li       8.23331330       5.13781974       6.44101192      -0.64742337      -0.10427814      -0.15346747
Li       6.28410012       2.47457546       8.04909556      -0.48955125       0.65592494       0.02085085
Li      10.45805880       4.72271535      13.53018795       0.14338395      -0.18862260      -0.52589590
Li      10.35312123       6.57316552      11.07170832       0.36947390      -0.15455301      -0.03717652
Li       5.75205373      14.16885043       1.02226312      -0.90944521       1.47354976      -0.22301136
Li      13.48747557      13.04947135      12.69169147       0.50450575      -0.93538281       0.38860009
Li      11.69824648       1.51501561      12.49516957       0.79388355      -0.12767651      -0.23265680
Li       7.67845701      11.24531541       7.07375461      -0.39903429      -0.24172741       1.27536768
Li      11.30494788       6.51161473       6.18577173      -0.24439076       0.37248969      -0.72010219
Li      13.26123483       0.88716311       3.29706603       0.39855414       0.27141256      -0.07318868
Li       9.67198616       8.79220105      14.03536300      -0.37437314      -0.19727872      -0.76131710
Li       7.24491886      11.35894532      14.61870921       0.49817375      -1.44492080      -1.66832684
Li       5.82193718      12.82155210      10.15360196      -0.47881107       0.46677757       1.21711742
Li       0.69994501      10.05121214      11.32356149      -0.29111012       0.40112792      -0.47295865
Li      13.75558942       8.35596527       3.47858615      -0.17507359      -0.56832792       0.69007136
Li      14.28381417       0.37904315      10.32061486      -0.05277241       0.30593373       0.08587257
Li       1.53872473       7.13205327       5.56695177      -0.88731661       0.63862560       0.23170330
Li       2.28866420       1.11521125       2.21130234       0.69686718       0.32256382      -0.23450264
Li       2.34988528       5.31760139       3.22385551       0.60678251      -0.43281961      -0.03654835
Li      10.12162013      10.39677778       5.56152655       1.18952818      -1.06843150      -0.48851013
Li      13.32509359       9.46374457       7.67160804       0.82595499      -0.29477234      -0.06823525
Li       4.53899217       5.49245238       7.97225823       0.13192112      -0.19557905      -0.16555684
Li       1.63212247       7.25362619       9.27777337       0.40621520      -0.09296084       0.23958677
Li      14.44438275      10.55274540       0.28460383       0.19038890      -0.01928992      -0.75720121
Li       7.91350998       9.98285735      10.40448099       0.11612330      -0.69015729       0.90573441
Li       3.53609050       4.54840388      11.50364288      -0.06775639       0.63116682      -0.58907918
Li       0.42061054      11.38721043       3.72549368       0.62706270       0.70933086       1.05244568
Li       1.22023725      13.56047627       6.79828224      -0.22399103       0.22474416       0.26634703
Li       4.93149646       1.24440196      11.66431636      -0.13747212      -0.25626673       0.52050334
Cl      11.99047409       5.09444794      10.89973479      -0.09945929      -0.27942584      -0.02576075
Cl      10.79356829       8.40957306       4.67297416      -0.15401548      -0.72546389      -1.05606249
Cl      11.23800185       9.77404626       7.19306453       0.02777056       0.70772377       1.98432020
Cl      10.04356887       2.45901916      12.97846389      -1.09015709       0.83108607       0.64923648
Cl      14.13914659       8.54084244       5.69974980       0.24650673      -0.04563746      -0.23302655
Cl       9.99573101       4.69522956       5.33171895       0.40022361       0.24218509       0.40134203
Cl      14.45784089      10.16709008       2.39451597      -0.44215291      -0.26568189      -0.81555989
Cl      14.93344699      11.35485393      13.07348020      -0.44673102       0.23002474       0.52091558
Cl      11.40318636       1.59215267       2.48037535       0.62855568      -0.26748909      -0.02677121
Cl      10.35647827       6.95171710      13.31852937       0.49036680      -0.72165823       0.66495102
Cl       3.39770239       3.61887758       2.67380997      -0.73515985       0.11127389       0.21073410
Cl       7.19600194      10.28764390      12.58012974      -0.10616174       0.50579209      -0.05978438
Cl       0.34534982       1.54759692       2.90932754      -0.68575813      -0.14648922       0.19710421
Cl       4.26396940       0.98093102       1.04840309      -0.09187015      -0.94379296       0.01887750
Cl       0.88121185       6.62951589       3.59158662      -1.15994111       0.78392599      -0.55976798
Cl       3.17525332       6.52210549       6.63134428       0.17806150       0.14990224      -0.22180445
Cl       3.49005105       5.89950886       9.78581090      -0.15030198      -0.00488750       0.47726024
Cl       4.02951590       3.03703006      12.72855900      -0.08221971      -0.80945496       1.41174840
Cl       1.37137463      13.24530387       4.59595700      -0.13943495      -0.29636257       0.08811794
Cl       0.48320441      14.57280464       8.83831543       0.47955834      -0.49938857      -0.81089086
Cl       8.69495170       7.88551464      10.77201728      -0.37830017       0.36657466      -0.96659164
Cl       0.67193618       9.07807426       8.59083840      -1.03119010       1.06696287      -0.74750870
Cl       5.11743769      13.86365923      12.09861884       0.17574988       0.15864135      -0.58359649
Cl       7.12941559       2.01247246       2.30580910       1.60203427      -0.55450642       0.15357713
Cl       5.92711455       4.44694324       6.48351448       0.94326980      -0.55345948       0.41700172
Cl       5.06200152       2.51081354       9.90482108       0.65399143      -0.19519062      -1.48691877
Cl       7.04483009      12.57996488       1.20860599       0.18622454       0.51523347       1.74191132
Cl       9.06284767      10.09913993       0.45147585      -0.01230399       0.86700779       1.24731964
Cl       6.96775298      11.43674180       9.03629106      -0.02009763       0.05317756      -0.35099818
Cl       8.33922502      11.35214132       5.23115753      -0.41581610       0.72763874      -1.25044076
Cl       1.67285659       8.30516002      11.29511654       0.69418490      -1.02425751       1.29083768
Cl      12.73110676      14.69747983      11.74998091      -0.29390745       0.51920830      -0.37466778
64
Lattice="15.0699 0.0 0.0 0.0 15.0699 0.0 0.0 0.0 15.0699" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.53663441 stress="-0.0058098937777235115 0.003931074450989768 -0.00011023423242302252 0.003931074450989768 -0.006568717657822911 0.00026277054260708384 -0.00011023423242302252 0.00026277054260708384 -0.005097339783876094" free_energy=-216.53663441 pbc="T T T" config_type=density 
Li      13.84905726      13.18076748      12.39704226       0.46318217      -1.35161860       0.71354949
Li       8.05171194       4.47315321       6.67810563       0.12637406       0.13891469      -0.00487423
Li      10.66163778       4.82657250      13.48719882       0.50796068      -0.74837615      -0.49612315
Li       5.71803244       1.75015791       7.94426355      -0.04815150      -0.07404842       0.35864160
Li      10.64578425       6.59291548      10.64560341       0.43968182      -0.19807995      -0.27314730
Li       5.33481995      14.40322269       1.88212502       0.84222492      -0.41810075      -0.07050183
Li       7.91323463      12.18848991       3.60259522       0.45379675      -0.38124088      -0.16769973
Li       9.05556319       1.87692591       2.07372373       0.73411788       0.22702599      -0.18048887
Li      12.13384645       1.51907606      12.09091231      -0.81320650       1.42462500       0.32158120
Li      14.75343210       0.15145249      10.01025642      -0.72747920       0.92709705       0.72818855
Li       9.63837650       9.22170884       5.85515346       0.55178488      -0.57069172      -0.06322116
Li      11.45407340       5.97250277       5.95053085       0.32875091       0.82921194       0.19106040
Li       9.07812283       8.62885897      13.69211932       0.52164324      -0.61852971       0.00031297
Li       7.82344817      12.01028834       0.24925615       1.29918446      -1.41415324      -1.20116498
Li       6.28918165      13.17559850      10.54862860      -0.78969096       0.78793582       0.23761464
Li       7.96685333      11.81819233       7.57649771      -0.08078399       0.10758774       0.30356272
Li       8.23280693      10.27684296      10.96151372       0.14158514      -0.43389153       0.76712062
Li       0.80658927      10.11316877      11.89247186      -0.49486621       0.49804337      -0.29238668
Li      13.12106053       2.59631772       1.93645201       0.44065690       0.65928876      -0.28623216
Li       1.83035991       1.27699168       2.30995948       0.11588449       0.18984725       0.10954761
Li      13.58364618       8.66000845       3.45801460      -0.41644143      -0.78718116       0.78755017
Li      13.52540102       8.41516779       7.61875371      -0.32909459      -0.41045602       0.89856984
Li       1.43466201      13.88038758       6.80562712       0.03280200      -0.09854643      -0.09216726
Li       0.34922685      11.66202295       3.72318456      -0.34793064      -0.43220096      -0.11118848
Li       4.47102835       5.09123009      11.20062783      -0.13746776       0.48431234       0.03055947
Li       4.93472917       1.04982047      11.68565256       0.05363357       0.78431581      -0.57942076
Li       1.92704839       5.00830043       3.43747433       0.29678646      -0.09939749       0.02062507
Li       0.96756142       7.60969670       5.82192433       0.91056731      -0.34586378       0.60385063
Li       2.07425118       7.80578624       9.39046158      -0.08660028       0.19522020      -0.24165279
Li       4.61521715       5.49988056       7.86828112      -0.99246542       0.80681607       0.21105367
Li      14.21744097      10.66653550       0.14013756      -0.36397179      -0.07906637      -0.51594876
Li       5.01340912       2.47375422       2.20664025       0.32617116       0.71625095      -0.21203924
Cl      14.75715437       1.51985969       2.31904663       1.18376215      -0.66459098       0.22222774
Cl       9.96854294       4.51224453       5.92370643      -0.24017804      -0.79952594      -0.39179607
Cl      13.12078927      14.83325736      11.56048197       0.04975205       0.41629630      -0.87506778
Cl      11.45520365       7.08640950       7.89279985       0.22383854       0.36275313       0.91769927
Cl      11.32307076       8.13421964       5.02353610      -0.62847199       0.21893554      -1.28141918
Cl      12.10980996       4.83853800      10.72080221      -0.23377274      -0.00979269       0.37482153
Cl      10.03926598       6.73133251      13.74025258       0.04069597       0.33681834       0.49153911
Cl      10.62302870       2.68883184      13.17027883      -0.00176755      -0.75963404       0.18963821
Cl      14.21093077       8.64820872       5.64736968       0.09933019       1.22115047      -0.77469350
Cl      14.18171023      10.22519841       2.12000339       0.48327214       0.56117540       0.91599094
Cl       3.69976594       3.77799379       3.08935964      -0.83324153       0.63699835       0.51826985
Cl       5.05531851      14.16774044      12.08449253       0.01423012      -1.78312106       1.51242076
Cl       0.68658163       6.66178492       3.82686548      -0.22497458      -0.09842471      -0.66227406
Cl       3.94086927       0.76705038       1.80534388      -1.77581038      -0.64844623      -0.49160603
Cl       2.90919899       6.88423172       7.02805884       0.13807775      -0.16995896      -0.97160357
Cl       3.48979702       6.54127093       9.96926630       2.31457386      -2.10214919       0.50224755
Cl       4.64332252       3.14373184      11.89667637       0.01577481      -0.15281995       0.22555833
Cl       0.53863289       8.80829627       8.62011843      -1.84378317       1.02856678      -0.91064975
Cl       0.72062453      14.09349104       8.79045351       0.64814349      -0.75298282      -0.46164863
Cl       1.27812343      13.32893473       4.73559552       0.16515291       0.07294414      -0.30248526
Cl      11.17945462       2.51260443       2.03639559      -1.79510087      -0.07580575       0.12074447
Cl       1.97444323       8.62795478      11.43488942       0.81235723      -0.39491775       0.97677058
Cl       6.15406492       3.93782515       7.54356998      -0.23064839      -0.36374572       0.11516396
Cl       7.14290655      13.19134655       1.78264861      -0.43321414       0.55057255       0.99095844
Cl       9.96066138      10.93943632       0.84406510      -0.23203298       0.44349197       0.60338560
Cl      14.83114757      11.35913303      13.29606728      -0.23313514       0.76098200      -0.13713229
Cl       8.40823564      11.06306978       5.60815780      -0.22894305       0.29351782      -0.33247168
Cl       5.29301605       0.04249712       9.28931241       0.25089848       0.38725944      -1.17499992
Cl       8.13372234      10.39113308      13.40753933      -1.35435044       1.62518818      -0.68096175
Cl       9.15118171       8.26434823      10.99380852      -0.15838884       0.18714228      -0.51034908
Cl       6.98620973       1.90497099       2.32341690       0.53478656      -0.43104928       0.24185585
Cl       7.94284698      12.13464516       9.74032438       0.51452909      -0.21187746      -0.45526490
64
Lattice="15.1026 0.0 0.0 0.0 15.1026 0.0 0.0 0.0 15.1026" Properties=species:S:1:pos:R:3:forces:R:3 energy=-217.14819514 stress="-0.0033109060081973206 0.002823233644329059 -0.0003286926504626225 0.002823233644329059 -0.004833230088036996 0.001993363539661008 -0.0003286926504626225 0.001993363539661008 -0.0036040529895616366" free_energy=-217.14819514 pbc="T T T" config_type=density 
Li       5.14467048       2.66269410       2.69123801       1.17190820      -0.68642304      -0.53731891
Li       7.99418375       4.34119706       6.28872264      -0.68598807      -0.02876799       0.42336839
Li       6.12265445       2.05726107       8.62060939       0.03851820      -0.11835512       0.34262837
Li      10.61533059       4.90304399      13.34517085       0.29402600      -0.10327468      -0.31001120
Li      10.55196008       6.69076895      10.44684599       0.72200489      -0.60342012      -0.51238800
Li      12.02398030       1.89247660      11.83131643      -0.48272411       1.10928524       0.00693020
Li       5.48473573      14.45844390       1.55035740       1.61818271      -0.71731908       0.44796179
Li       7.97829581      12.17074736       4.08011842       0.43407528      -0.27453578      -0.99127763
Li      13.47259148      13.34965632      12.54911280      -0.35545158       0.25516911       0.04612025
Li       8.21696220      11.74532223       0.38007203       0.37418397      -0.34579374       0.08855453
Li       7.92875928      11.90515304       7.73224425      -0.22864621       0.24670028       0.23528500
Li      11.22512827       5.65876299       5.95515151       0.37151792       0.54916153       0.69877572
Li       9.66063483       9.17081221       5.73990926       0.29224043      -0.50971151      -0.21355508
Li       9.39815165       8.61373770      13.73798947       0.38258771      -1.12377206      -0.14142144
Li      12.88259331       2.35354388       2.11064876       0.66246104       0.33748740      -0.14614969
Li       6.25412258      13.22033276      10.62002750      -0.88680566       1.77509204       0.79042134
Li       9.11262189       2.11856252       2.26418179      -1.70448160      -0.50924177       0.46703824
Li       0.59039084      10.09759836      12.02018955       0.56039643      -0.69880407      -0.81356984
Li       8.36070874      10.12360504      10.36708915       0.76836828      -1.25811079       1.15920861
Li       2.23288920       7.73043194       9.16181106      -0.37281285       0.42890324       0.84450416
Li       1.89471179       1.43246349       1.62242701       0.07617374       0.59545703       0.14554021
Li       2.35783301       5.06796438       3.05773281      -0.83422084       0.92604250      -0.13770667
Li      13.53001157       8.38389124       7.38375176       0.04176300      -0.45125817       0.65519276
Li       4.31159597       5.63494619       7.46405228       0.93420838      -0.83326281       0.90007439
Li      14.47776013      10.88062286       0.32584464      -0.16429644      -0.13364928       0.01882811
Li       1.44933460       7.41974125       5.69964573      -0.34026724       0.17427489      -1.01506510
Li      14.92452524      15.02530625      10.17942425       0.41817614       0.14373094      -0.35955237
Li       5.13705877       1.16288057      12.24384395       0.11739701      -0.21001922      -0.28503840
Li       4.10783169       4.95270134      11.42638552       0.02450735      -0.38533095       0.72727977
Li       0.70032871      14.15072843       6.61983204       0.02098343      -0.18033584      -0.50987625
Li      13.54611094       8.57007609       3.48377715      -0.46988801      -0.90138909       0.46864323
Li      15.03838541      11.68994099       4.04059491       0.06187983      -0.27981673       0.04985913
Cl      14.37611963      10.23610430       2.49482870       0.25415868       0.83153957      -0.75497798
Cl      11.78608414       4.81016300      11.03787113      -0.20798226       0.06853263       0.33097208
Cl      11.09769253       7.72594647       5.25632401       0.26819551       0.62554099      -1.35360086
Cl      10.60308238       2.58372260      13.26008280      -0.24403207      -0.35031742       0.29090857
Cl      14.59527346       8.15996499       5.38990650      -1.26996077       0.96247389       0.83789865
Cl      11.38350924       6.73580491       8.08087267       0.16193242       0.17470001       0.57684517
Cl      15.07831502       3.01177559       1.81664645       0.04171519      -0.72845523       0.04702169
Cl      10.86487085       2.67415697       1.60081519       1.14352661       0.37183074      -0.28174981
Cl      14.42687947      11.57381710      13.22001560       0.14751134      -0.30028080       0.44414235
Cl      10.29347908       6.82136114      14.55313721       0.14645171      -0.42477742       0.07262262
Cl       3.30727307       3.29197413       3.08620121      -0.70059675      -0.56480609       0.44057783
Cl       9.66638892      11.08107967       1.97619031       0.72295826      -0.39513919       0.66556025
Cl       5.53896917      14.20517330      12.42824669      -0.09320760      -1.12154648       1.30172452
Cl       1.30316409       6.87734647       3.53650033       0.70248453      -0.34288472      -0.78037896
Cl       3.91634582       0.46784985       1.01998128      -1.58398699       0.75589574      -0.35608999
Cl       2.66690772       6.77371243       7.16488488      -0.19432230       0.22652485      -0.28961277
Cl       3.89760350       6.22486885       9.89193115       0.38150769       0.32182494      -0.87236203
Cl       1.32774961      13.09031447       4.85639206      -0.05021000       0.07556697      -0.18297796
Cl       0.11727531       8.87949816       9.18784794      -0.77371597       0.06623108      -0.76039696
Cl       1.10191288      14.80249624       8.51795702       0.17156952       0.21450875       0.54471558
Cl       2.39000155       8.90917477      11.36651881       0.04288840       0.38755633       0.60265273
Cl       6.89915463       1.37725442       2.59459647       0.49659753       0.08687600       0.13833525
Cl       6.11101035       3.72652124       7.44417726      -0.11771936       1.30698820      -0.93763271
Cl       9.91250089       4.05358315       5.68055604       0.17748509      -0.84552767      -0.51146378
Cl       5.85496087       0.43816267       9.81037711       0.12046061      -0.63856918      -0.54803098
Cl       5.14296389       3.25201265      12.12077286       0.07164310       0.35492345       0.19851046
Cl       7.32448915      12.89177569       2.09503267      -1.56629265       1.05848852       0.13372295
Cl       7.14739607      11.64692879       9.75478444       0.16920544      -0.47853303      -1.17897777
Cl       8.56797683      10.97785340       5.93118369      -0.28720561       0.50490955       0.02525088
Cl       8.74706346      10.50530815      13.68286498      -0.68181509       1.69457564      -0.27675378
Cl       9.42986711       8.35512078      11.28203487      -0.28353280       0.32772576      -0.40597995
Cl      13.46398300       0.25870754      11.65364944      -0.02568876      -0.41508876       0.29624111
64
Lattice="15.1812 0.0 0.0 0.0 15.1812 0.0 0.0 0.0 15.1812" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.81046519 stress="-0.004531504664182902 0.003163982456234328 0.00012341987608161707 0.003163982456234328 -0.0008376907530518375 -0.0007843833592906214 0.00012341987608161707 -0.0007843833592906214 -0.0019274836119241418" free_energy=-215.81046519 pbc="T T T" config_type=density 
Li       8.95807695       1.77324007       2.69766888       1.04360203      -0.00361192      -0.22933222
Li      10.15587363       4.36457982      13.94836511      -0.11803552       1.61296054      -0.15225075
Li       5.27615015       2.92528061       2.59496806       1.96343171      -0.78506323      -0.57548409
Li       8.14090332       4.76724597       6.55035381      -0.84421097      -0.16691078       0.34332907
Li      10.57033557       7.18524678      10.48966268       0.11577234      -0.18933396      -0.19418132
Li       6.27244677       1.80715487       8.83996722       0.11799254       0.00462678      -0.42609991
Li      12.30820344       1.47619256      12.21409518      -0.08712322       0.20788665      -0.25749728
Li      11.42544703       6.38260155       6.37021369      -0.22886695       0.08346036       0.32922212
Li       5.94360679      13.06700536      10.78059519       0.39048900      -0.19831124      -0.92671443
Li      13.17983204       2.06792234       2.11735233      -1.51833038       0.63269268      -0.09282095
Li      14.57566748      14.02695818      12.66066536       0.33545537      -1.34035229       0.79935335
Li       5.89106466      14.72858770       1.65265579      -0.24484482       0.48349139       0.02701556
Li       7.79786892      12.20450067       4.25056901       0.55248512      -0.23910853      -1.40724987
Li       8.37917225      12.11995656       0.54025488       0.29181341      -0.92818462       0.38241650
Li       7.61791098      11.90397363       7.73026704      -0.04554049       0.19791527       0.79213811
Li       8.40136717       9.79972268      10.73275923       0.54703744      -1.69321759       1.08071801
Li       9.77140974       9.52608155       5.88008865       1.07372091      -1.28351143      -0.38999167
Li       4.84084443       1.10926903      11.91467638       0.05290296      -0.33118489       0.05573467
Li       0.66025923      10.45448784      11.53878987       0.31517918      -0.53823316      -0.45917039
Li       9.26018283       8.19335436      14.83903093       0.00702000       0.15580578      -0.35556174
Li       0.02854096       0.50902564       9.62843320      -0.13022887       0.25124920       0.00043851
Li       2.09707024       7.84374651       9.05831842       0.60996506      -0.23870772       0.51866172
Li       1.73379931       1.67105541       1.35684252       1.10857006      -0.34608717       0.31607558
Li       1.02407214      14.12539308       6.27642424       0.15258302       0.06880323      -0.05591544
Li      14.41848133       8.07934355       3.39393943      -1.36292847       1.05961881       0.39407593
Li      15.15457718      11.47208367       3.50577933      -0.12822761      -0.82897656      -0.00275243
Li       3.94729417       5.07047526      11.45265174       0.21419691       0.24686733      -0.54441449
Li      14.51277176      10.53034829      15.07092695      -0.08136440      -0.27436301       0.27771958
Li       1.31053834       7.61880667       6.00448341      -1.69639129       1.14947915      -0.53243577
Li       4.36916454       5.27060902       6.96244749       0.37180839      -0.17895949       0.91019848
Li       1.82766467       4.96358443       2.78136283       0.07994871       0.34697375       0.24103628
Li      13.42370284       8.91540260       7.32196867       0.09164281      -0.07758883      -0.40279770
Cl       9.00366610       7.78103297      11.91526844      -0.69820423       1.34568702      -0.50298080
Cl      14.76603972      11.45899748      13.09390645      -0.30560491       1.14996505       0.05739719
Cl      11.41696074       8.25576428       5.32582304       0.56185134       0.10371425      -2.42544219
Cl      14.62827033       9.91610176       1.97926413      -0.07150978       0.41454169      -0.69188763
Cl      14.89108727       9.27829400       5.24382938      -0.27543325       0.03030249      -0.44645055
Cl      10.74195904       5.30103214      11.55570172       0.53318326      -0.73602607      -0.05733788
Cl      11.29936716       8.11829851       8.03952327      -0.09391567      -0.07142892       2.49947959
Cl      11.05299147       2.59329813      13.37234484       0.20742505      -1.19141556       0.40378516
Cl      11.11040676       1.83982481       2.38587739      -0.36424447      -0.04609293       0.01546439
Cl       3.45533221       3.36210446       2.96869884      -2.78300310       0.96293923       0.33325635
Cl       7.48489330      13.52140904       2.21121769       0.43360890      -0.36538502       0.13563342
Cl       8.73716013      10.33470817      14.20240731      -0.11914751       0.64169139       0.26889113
Cl       0.85292840       6.98257776       3.05901180       1.57271044      -1.77469233      -0.31172855
Cl       3.91538329       0.28444407       1.48516465      -0.82281139       0.38724222      -0.28403747
Cl      14.99093857       1.35489022       2.22421279       1.57595879      -0.51814361      -0.01674409
Cl       3.05990749       6.88259438       6.54368927       1.05037218      -0.39933767      -0.56829383
Cl       3.98729664       6.40210940       9.39040717       0.11408188      -0.79819617       0.93577525
Cl       1.18051592       0.19639615       7.99469318       0.54190243       0.17449283      -0.18500642
Cl      15.14103404      12.81765415       5.08108692      -0.18880603       0.37150831       0.12361838
Cl       0.50952206       8.81561657       8.04450270      -0.52521912      -0.04066464       0.44433570
Cl       5.18040233      14.19496852      12.28676759      -0.45350003       0.42209914       0.86830196
Cl       1.97443651       8.81769640      11.21020797       0.12324612      -0.00186554       0.20039997
Cl       6.51798750       3.88424665       7.93609375      -0.39962502       0.14137301      -0.35957201
Cl      10.14038881       4.60016168       6.48264566       0.90120731      -0.22404965      -0.15806208
Cl       5.83607835      14.83975811       8.53880257       0.15443427      -0.18414335       0.33338741
Cl       4.36790450       3.07206763      12.54032399      -0.23959693       0.60265983      -0.15066350
Cl      10.04655381       6.22981796       0.26809999      -0.07330643      -0.44651355      -0.01810677
Cl       9.34991891      10.71426853       2.87873505      -0.42381801       0.35608021      -0.10696782
Cl       7.66422882      11.65333202      10.36667978      -0.41854173       1.06067545      -1.07765458
Cl       8.64303669      11.16589405       5.95251816      -1.14734905       1.37733457       1.18667789
Cl       6.99750088       1.75657111       3.24164164      -0.85678805       0.01635534       0.24238702
Cl      13.86450416       0.15120475      11.25644991      -0.45908126       0.37916845      -0.15131763
64
Lattice="15.238 0.0 0.0 0.0 15.238 0.0 0.0 0.0 15.238" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.77002974 stress="-0.0016339520162844709 0.002443613169217954 -0.0004691197214104299 0.002443613169217954 -0.0037338064307872345 0.0001298316660594727 -0.0004691197214104299 0.0001298316660594727 -0.0019722090741919785" free_energy=-215.77002974 pbc="T T T" config_type=density 
Li      14.80833411      10.69814266      14.74244500      -0.02251950      -0.00355013      -0.62006004
Li       4.94503576       2.67193759       2.47483406       0.88037411      -0.49336355      -0.15936679
Li       8.53196953       4.66165467       6.86810184       0.14720307      -0.16926982       0.09672888
Li       6.45391776       2.11206299       8.49139074      -0.24115900      -2.30356423       0.89009354
Li      10.40959589       4.43803702      14.02023999       0.13769994       0.78489064      -0.35677248
Li      11.10819724       7.02042088      10.49348108      -0.40645818       0.52754820       0.00530545
Li      13.12618082       1.82770667      12.58419563      -0.53347008       1.36660311       0.97527001
Li       0.02849506       0.18219162       9.87160306      -0.66953219       0.95555775       1.14433241
Li       6.03967273      13.60657401      11.12028097      -0.07888987      -0.29017333       0.19606528
Li       5.81415033      14.71878039       1.89670434       0.54591154       0.28930624      -0.20931413
Li      13.84154397      13.41171046      11.95658813      -0.06424594      -0.69095923       0.14074518
Li       8.17303844      12.14125745       0.57770610       0.48716685      -1.04568198      -0.12509239
Li       7.36074638      12.15631259       7.70643564       0.03383309       0.08048670       0.88114478
Li      10.06494281      10.42887196       6.15763009       0.92047766      -1.44562937      -0.43576044
Li      11.53303268       6.16796145       6.59622544      -0.16903086       0.61289604      -0.11252599
Li      13.37262499       1.05302047       2.21263379       0.25936970       0.02187406       0.00715339
Li       8.71570934       8.01590419      14.18433801       0.30548977       0.46477904      -0.40735906
Li       8.15450903      12.50957515       4.21268224      -0.39727943       0.48462496      -1.23933294
Li       9.14464380       1.61656894       2.58832668       0.27140072      -0.09552778      -0.19719178
Li       7.50191121      10.15400892      11.64242628       0.88842904      -1.22891909       0.49754174
Li       4.21088416       4.72147906      10.93996972       0.14345622      -0.27985905       0.48143371
Li      13.94889568       8.64369455       2.66311478       0.17547956      -0.65940725       0.89586461
Li       1.17728636       7.36988918       5.49631612      -0.72932749       0.74552205      -0.50070025
Li       2.18244731       7.86073563       9.09682695       0.06384709      -0.01249893       0.19216531
Li      14.88892790      12.01754013       3.18338582      -0.28752596      -1.04655819      -0.71119647
Li       0.85007926      14.26255467       6.24879904       0.19928872       0.28600020       0.60755776
Li       2.03206349       0.76453617       1.87608732       0.36467092       0.27201000      -0.34345342
Li       4.90873884       1.15437298      12.64836285      -0.01017964      -1.44120525       0.60635812
Li       1.11009287      10.20341051      11.58391236      -0.63717064       0.64925547      -0.24175018
Li      13.46350442       9.10708213       7.39672329       0.26939592      -0.46023897      -0.28325802
Li       4.68158598       5.79543806       7.35058263      -0.08189150      -0.07571275       0.80994077
Li       1.67607333       4.99410212       3.30423840      -0.17345676       0.35486748      -0.41116634
Cl      11.36620706       1.45587509       2.17182643      -0.94910614       0.07507358       0.13454361
Cl      15.03105272      11.81924803      12.80990089       0.23582098      -0.25332795       0.00346846
Cl       0.22689382       0.82453732       2.64409776      -1.19440639      -0.00780014       0.55707297
Cl      13.40165338       0.15404856      11.49067104       0.49217023      -0.41467509      -1.18417896
Cl      11.07581649       8.57410260       5.62871911      -0.06997703       0.14818860      -0.93075529
Cl      14.70357286       8.94848502       4.85959629      -0.51442347       0.92925787       1.01103078
Cl      14.56082328      10.38823222       1.53589897       0.07226418       0.60004372       0.24188026
Cl      11.46008837       6.58441599      12.54553683       0.70549428      -0.45038579       0.19232404
Cl      11.62785875       7.68609291       8.31595564       0.63365032      -0.55723221       1.10240365
Cl      11.97011947       2.94244256      14.03307039       0.43658745      -0.57004210      -0.11400672
Cl       3.18501628       3.57466718       2.50918051      -1.67906026       1.27143904       0.41592654
Cl       4.92313875      14.08439197      13.07606304       0.11667576       0.48708648      -0.16147748
Cl       0.43181749       6.93897377       3.06347800       0.83087298      -1.47427031      -0.42613705
Cl       4.03048148       0.74714657       1.57777300       0.93278709      -0.92720163      -0.49652754
Cl       2.75696563       6.72477321       6.84533626       0.01679175      -0.18442270      -0.57804005
Cl       3.96181905       6.33318708       9.73863628       0.30308796       0.28601285      -0.75437668
Cl       5.06881403       2.89558571      11.65131004       0.13456657       0.57427142      -0.51198730
Cl      15.22452808      13.18193666       4.76918924      -0.10429786       0.23090208       0.22404625
Cl       0.52009580       9.15502088       8.35351731      -0.65768716       0.18587992      -0.14628079
Cl       0.59316658      14.21592639       8.45369193       0.49171642      -0.79946955      -0.93582868
Cl       8.99611901       8.35871347      10.95632009      -0.55439288       0.46100108       0.13950999
Cl       2.35062912       8.66246776      11.30569696       0.54295620      -0.48438875       0.28742708
Cl       6.42427985       4.02848530       8.08019331       0.28007283       1.92237651      -0.96022099
Cl      10.57188059       4.16878156       6.05512406      -0.42240363       0.22719853       0.27730386
Cl       5.96643890      14.79614067       9.28405626       0.20737659       0.86269313      -0.76744504
Cl       8.87790261       5.94118953      14.35151411      -0.72264912      -0.71339727       0.60277775
Cl       7.87987456      13.74495028       1.86961117      -1.11804799       1.32476028       0.48267082
Cl       8.92651183      12.08091497       6.06044212      -1.06369795       1.25709701       2.00140454
Cl       7.02718656      11.62424735      10.27950909      -0.25966609       0.86405664      -1.00354854
Cl       8.50621731      10.24755500      14.64196563      -0.28494074       0.15091704      -0.37215880
Cl       6.95792985       1.99483706       2.46697125       0.66474924      -0.17756096       0.26646333
Cl       9.56989066      11.56582486       3.09314638       0.90575901      -0.99818437      -0.67068423
64
Lattice="15.2864 0.0 0.0 0.0 15.2864 0.0 0.0 0.0 15.2864" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.82382435 stress="-0.003970290314699367 0.003093086558412974 -0.0002456268709023469 0.003093086558412974 -0.0029548384919236494 0.0009760407995587698 -0.0002456268709023469 0.0009760407995587698 -0.0035051364856365777" free_energy=-215.82382435 pbc="T T T" config_type=density 
Li       7.55305610      12.66462954       8.11383768      -0.38983616      -0.09429072       0.87899896
Li       6.01189654      14.43098834       1.98365498       1.12760696      -0.59749675      -0.04823026
Li       8.52790040      12.54996625       3.95749610       0.87813229      -0.41982810       0.37217046
Li       7.46754398      11.41210778       0.23059229      -0.35595230       1.20126636       1.10229306
Li      14.43861626      13.31469898      12.58342818       0.24863491      -1.08697274       0.34611031
Li       8.64196752       8.05463346      14.42900111       0.43846898      -0.91740226      -0.76595976
Li       7.64456049      10.50507395      12.07423820       0.55259643      -1.52774532      -0.01483799
Li       5.46111226      13.61776715      11.25551390       0.42603566      -0.43187302      -0.32342951
Li      13.10710967       1.60504143       2.67154298       0.23739253      -0.01864862      -0.01712575
Li      11.05941996       6.26318967       6.27118445       0.52606311       0.33135702       0.60336068
Li      15.16493427      15.25684252      10.22811495       0.28651798      -0.37594822      -0.93075827
Li      13.05810147       1.77727330      12.43901756      -0.65046972       1.27698096       0.38792325
Li      11.04512717       7.57506852      10.17906090      -0.57429259       0.14190686      -0.33911815
Li      10.92412003       5.00209224      13.41589495       0.42324328       0.59967611      -0.79626422
Li      13.68357510       8.72562998       2.95753624       0.27207423      -1.28808289       1.15938159
Li       0.14491507      11.84387215       3.29082562      -0.19604977      -0.47040303       0.30081019
Li      13.77154833       8.58681419       7.25255605       0.80910627      -0.67105603       0.42143945
Li      10.47761957      10.56932269       6.33492874      -0.01460508       0.34542422      -0.54853818
Li       5.71480535       1.89598748       8.90894449       0.36197716      -0.15153790      -0.27389625
Li       8.06499764       4.49493535       6.46017022       0.34477680       0.01581478      -0.21609172
Li      14.75301164      10.44337804      15.12466989       0.08443122      -0.34030200      -0.33527913
Li       3.91721643       4.44925958      10.74617105       0.20549225       0.11039590       0.05804306
Li       8.99529737       2.22027317       2.34906109       1.23108609       0.33923217      -0.09003233
Li       1.95089623       0.80845337       2.24075694       0.26205766       0.34741031       0.03421155
Li       5.19437987       2.64367588       2.48909980      -1.40393617       0.23879232      -0.18656494
Li       4.60149684       1.24171733      12.77678585       0.06496274      -0.07208135       0.33515527
Li       0.50223314       9.94789996      11.17420554       0.09990823      -0.37911967      -0.38872293
Li       5.03087653       5.81402938       8.04807559      -0.86420479       0.97676113      -0.12412435
Li       0.99408376      14.26586465       6.45653205      -0.07847612      -0.17755310       0.16540430
Li       2.19931551       5.27206535       2.58502196      -0.06783038       0.30032321       0.24556006
Li       1.77588223       7.93032445       5.75565061      -0.73702792       0.29582391       0.02878389
Li       2.50134420       7.93960330       8.73490883      -0.17802746      -0.07452648      -0.30927747
Cl       7.03316564       1.81032249       2.51227398       0.54459071      -0.57365108       0.25040493
Cl       3.79460422       6.37794467       9.80182312       0.56877340      -1.09701725       0.63334270
Cl       3.37800396       6.88316019       6.71689002       0.68074072      -0.26848241      -0.34466075
Cl      13.85832923      15.27669207      11.98230579       0.54128312      -1.03663514      -0.37645265
Cl      12.32449185       3.44951374      13.36864469       0.45885860      -0.69978878       0.21606178
Cl       4.38670764       0.32728335       2.03049251      -1.92269394       0.29310025      -0.01879619
Cl      14.19810004      10.35083417       1.86925156       0.30066156       1.61010169      -0.55570669
Cl       1.21129434      13.34897109       4.54663395       0.04246020       0.04394037      -0.54976512
Cl      15.28471850       8.62021497       4.61733355      -0.40610286       0.55049767      -0.08992686
Cl       0.72471905       6.58447922       2.27090172      -0.65353927       0.51597723      -0.45637535
Cl      12.10120340       9.14913970       6.26399985      -1.37636278       0.96554676      -1.46733582
Cl       0.01024189      11.02860258      13.05643525      -0.38873325       1.00320450       0.03002963
Cl      11.70086788       6.61905706      11.85331914       0.69917012      -0.43750555       0.75631332
Cl      12.21704374       6.97652952       8.26084699      -0.19349011      -0.75604282       0.19577454
Cl      15.15119179       1.63367285       2.07982172       0.52175648      -0.37130235      -0.06137281
Cl      11.13112846       2.21558024       2.58434936      -0.46776271       0.06613767       0.00590107
Cl       6.40839518       4.28372316       7.74350936      -0.05113233      -1.27049942       0.36599259
Cl       9.40618051       6.00478836      14.32135428      -1.14015343       0.28827218       1.15856896
Cl       5.00420176       2.31420810      10.95345463      -0.32840014       0.62590172      -0.22305754
Cl       7.54567277      12.62419701       1.97462072      -0.76011943       0.78066638       0.10572800
Cl       4.66780924      14.45880959      13.16785782      -0.10954767      -0.19342422       0.12316727
Cl      10.53583019      11.64796164       3.40584049      -0.13519076      -0.05436655       0.33712283
Cl      10.06580396       4.33928922       5.79779522       0.05742121       0.12978344      -0.16641211
Cl       2.20486448       8.80640332      10.68932093       0.04015568       0.68845163       0.96008262
Cl       7.06555752      11.93626315      10.74762326       0.12854756       0.05569029       0.17839478
Cl       8.84743202      12.18815245       6.53256661       0.18152147      -0.09424349      -0.56763269
Cl       6.02669377      13.94428465       9.04892206      -0.87836114       1.97923296      -0.89310268
Cl       7.90829675      10.02876501      14.25614250       0.08509253      -0.54773262      -0.76275828
Cl       0.58105746       8.70340356       7.83860605       0.11648150       0.17121293       0.04544707
Cl       8.60998837       8.21205280      11.49121490      -0.08602658       0.63019496      -0.17669007
Cl       0.49226488      13.77388715       8.53176786      -0.18071985       0.60626140       0.73837419
Cl       3.14977801       3.53650864       2.10507486       0.74096507      -1.02977940      -0.12205555
64
Lattice="15.2995 0.0 0.0 0.0 15.2995 0.0 0.0 0.0 15.2995" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.64352285 stress="-0.004335935451692743 0.0047825781942654605 0.000310527668136599 0.0047825781942654605 -0.0033153056729461924 0.0008908172678785852 0.000310527668136599 0.0008908172678785852 -0.0028944350265730705" free_energy=-214.64352285 pbc="T T T" config_type=density 
Li      15.03575192      15.22693447      10.11684027       0.15023889       0.38021110      -0.54968589
Li       7.59135181      10.42570658      12.15331082       0.38472118      -0.84769617      -0.83198707
Li      13.00986863       1.76452193      12.33953633      -0.12011472       0.14891620       0.18720907
Li       9.06559633       2.34025742       2.34526036      -0.02897943      -0.10621270       0.23115410
Li      10.94295208       7.78499758      10.13336373      -0.78664172      -0.36159341       0.66211318
Li       5.04430635       2.61234373       2.25095424      -1.22955936       0.14889022      -0.18397562
Li       8.20016481       4.45111413       6.53271821      -0.12089220       0.03342430       0.19087020
Li      11.09256589       4.98355203      13.58714936      -0.14412853       0.88342523      -0.55112250
Li       5.75712535       1.82674500       9.00559169       0.20848203      -0.25515463      -0.26478148
Li      13.30860666       1.77552227       2.61831053       0.51157814       0.06659580      -0.04934447
Li       5.94693095      14.40013419       1.95731093      -1.31344279       2.04159980       0.14115290
Li       8.57830725      12.45764847       3.88304370      -0.97812415       0.43697424       0.78897801
Li       7.23745907      11.49757425       0.43167998       0.29678801      -0.84428610      -0.60808330
Li       7.61283231      12.81353014       8.16815826      -0.17780043      -0.32461855       0.51870531
Li       8.73446925       7.76520003      14.27513728       0.05389618       0.35991288      -0.74206177
Li      10.83440212       6.39359985       6.22692710       0.08321700       0.09266380      -0.12476930
Li       1.96424161       8.00827848       5.72632746      -0.53062764       0.26739155       0.28086261
Li       0.31177015       9.87244606      11.33341062       0.18411523      -0.37520680      -0.41867154
Li       2.70772081       7.98303431       8.93449491      -0.96049321       0.64544549       0.53705639
Li       1.92709442       1.00087799       2.15400131      -0.58297805       0.28566842       0.11934974
Li      14.54872294      13.09098658      12.72234512      -0.60366618       1.80129739      -0.10461288
Li       2.21510751       5.36480027       2.28748944      -1.10688411       1.19846367      -0.06709222
Li      14.89827061      10.23522780      15.16524689      -0.00701849       0.13680280       0.32747151
Li       4.80915303       5.91601066       8.00350504       0.51024386      -0.54811818       0.74112377
Li       3.96182082       4.43310662      10.85016061      -0.28561573       1.51304011       0.00596728
Li       4.59670418       1.16757828      12.69818721       0.09378982      -0.69101662       0.01481179
Li      14.06888472       8.49452719       7.18799579      -1.76803869      -0.06033492      -0.81918769
Li       0.18308606      11.88497289       3.36315139       0.73157451       0.25476990       0.98329035
Li       0.94032257      14.05655332       6.52364560       0.09986379      -0.10239906      -0.49475269
Li      13.74966065       8.54356209       2.79003212       0.77438642       0.21453498       0.39837332
Li      10.45684106      10.73422100       6.56112938       0.64661699      -0.63709241      -0.26482287
Li       5.67791984      13.66624778      11.32132401       0.50052959      -0.79379918      -0.67482006
Cl      11.47600196       7.10164541       8.12218326       0.42492520      -0.65080471       0.88421918
Cl      11.26502185       6.53570161      12.02251539       0.91667371       0.18182991      -0.42527967
Cl       0.15666688       2.07885016       2.69930608      -0.27548022       0.00578869      -0.01707641
Cl      10.19499012      11.61795072       3.21320099       1.38008785      -0.71017209      -0.72850309
Cl      11.75082687       9.11896098       6.04070158       0.69351283       0.31045522      -0.85744971
Cl      14.17443597      11.05079825       1.97317652      -0.44532050      -0.64854818      -1.34111656
Cl      12.29403562       3.33353156      13.55131793       0.76671634      -1.29778647       0.06882088
Cl      11.26118168       2.00160299       2.74979443      -1.01028369       0.00481318      -0.09851996
Cl       7.21524420      11.67361030      10.42436022      -0.07962642       0.50904102       0.06147685
Cl       8.69420097       8.29225250      10.97945668      -0.10462616       0.62980001       0.06179230
Cl       3.33986555       3.74383355       2.09993287       0.19371230      -0.35634038      -0.31506478
Cl       8.89561888      12.03374523       6.44973372      -1.17385531       1.04459336       0.06972008
Cl       0.79169252       6.93402409       1.72743595      -0.23365898       0.13511625      -0.22409814
Cl       3.86488319       0.45858262       2.50027489       0.84732814      -0.94717649      -0.25640839
Cl       3.62722076       7.32872059       7.26378951       0.00470186       1.03751592      -3.56458804
Cl       3.64799748       6.33402360       9.93544940       0.60602258      -1.59103166       1.34546302
Cl       4.49381504       2.48485299      10.76578387       0.26287310      -1.52534316       0.42688863
Cl       1.51876454      13.56882056       4.51791175      -0.39004332      -0.40880759      -0.42602390
Cl       0.13894608       8.87392419       4.37701866      -0.00400071       0.14985585       0.30550542
Cl       0.66616012       8.55327727       7.79693119       0.86505818       0.08568280       0.19337175
Cl       7.61021609       9.58808955      14.16588355      -0.52894306       1.12673945       1.00991230
Cl       0.73849157      14.36176305       8.59657486       0.35121541      -0.24281457      -0.04201216
Cl       4.89893050      13.88631578      13.32820532      -0.12524108       1.09231072       0.05029767
Cl      15.10591237      11.27088156      12.94671229       0.41796657      -1.93844352       0.86212158
Cl       6.68202603       1.65958266       2.67039003       3.05592346      -0.80426834       0.20528275
Cl       6.43210869       4.51840134       7.88554589       0.25396245      -0.98312783       0.05286158
Cl      10.14717918       4.28699640       5.69984402      -0.01157400       0.19579860      -0.18660773
Cl       9.51798724       5.93511974      14.58017871      -0.62608142      -0.89804142       1.40055548
Cl      14.11297788      15.06766668      11.92317574      -0.58155771       0.30170233       0.87400721
Cl       6.02986954      14.27971183       9.12948704      -0.23727732       1.40798631      -0.26367179
Cl       2.04806757       8.85014877      10.75591569      -0.21073766       0.78291289       1.09789595
Cl       6.98396166      12.72967358       2.14203710       0.51259135      -0.96173529       0.39750954
64
Lattice="15.3314 0.0 0.0 0.0 15.3314 0.0 0.0 0.0 15.3314" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.00239545 stress="-0.0046856373713976 0.003139166428161127 0.0006682042891534871 0.003139166428161127 -0.004216123623516053 0.0004647736712249497 0.0006682042891534871 0.0004647736712249497 -0.000994987312449991" free_energy=-215.00239545 pbc="T T T" config_type=density 
Li       8.69179994       7.72727090      13.96826989       0.28320504      -0.15401184      -0.47157583
Li       6.99511990      10.33941950      12.26669913       0.76555390      -0.57480730      -0.35154624
Li      13.22610748       1.46964961      12.78865665      -0.34338516       0.98332534       0.32055274
Li       0.61048102       9.82255201      11.97902074       0.42810791      -0.84306136      -0.86524071
Li       9.20696564       1.82679764       2.45054031       1.70859632      -0.21886233       0.39725613
Li       5.26362224       2.80041819       1.90645959       0.83273672       0.32987674       0.01475881
Li       8.25010231       4.37289856       7.35024111       0.69134058       0.34232551      -0.31107079
Li       2.31432082       8.13100799       5.72393220      -1.41432136       0.12611328      -0.34783289
Li      10.48643230       6.85555816       6.14080829       0.67245606       0.55470318       0.78448198
Li      13.43518179       2.36420920       2.24693932      -0.16688394       0.03942055       0.10209562
Li       5.21552764      14.54715290       2.18682490       0.86531806      -1.02260665      -0.04040079
Li       7.97911981      12.45030798       3.91692740       0.34142896      -0.12765925       0.00395159
Li       7.11815438      11.27048009       0.66327163       0.71024565      -0.22532676       0.25410294
Li       6.41766271      13.47545737      11.21407587      -0.32430413       0.20857846       0.12645202
Li       7.61087491      13.39611738       8.05022684       0.84793422      -1.13885944      -0.29261662
Li       6.14848932       2.24716929       8.88088210      -0.28576845      -1.66008819       0.93406870
Li       0.97596166      13.83461075       6.80473457      -0.11146128      -0.46181931      -1.36369817
Li       3.06194121       8.19878811       9.64567365      -0.29223572      -0.35392277      -0.29057177
Li       4.65640681       5.78286610       7.55971403       0.19030668      -0.23447326       0.63589677
Li      14.72797143       8.74343609       2.93607042       0.02809372      -0.79405555      -0.68193230
Li       2.27659025       1.53531706       2.22935421      -1.11132544       0.58761222       0.11181169
Li       0.30006923      11.75381781       3.42115592       0.03059360      -0.31790748       0.09663158
Li      10.53619802      10.62318839       6.60211479      -0.29411742       0.26725372       0.01688942
Li       4.54122201       0.81969177      12.45483074      -0.09194475      -0.96139308       0.65672748
Li      13.91766094      13.22860650      12.78257008      -0.00292544      -1.25904470       0.67319945
Li       4.42585322       4.40547779      10.93119621       0.07189856      -0.03678408       0.14072000
Li      13.79507107       8.35581231       6.84511748       0.69717159      -0.64350696       0.43350794
Li       1.71161283       5.48253930       1.04850525       0.91373874      -0.95377487       0.07037908
Li      11.11126350       4.73217459      14.16900391       0.42355565       0.11229145      -0.99492879
Li      10.36943838       7.87414571      10.28968444       0.13778166      -0.73693975       0.52461082
Li      14.93048389      10.23866154      14.97324316       0.11313106      -0.37003230       0.46113252
Li      15.02446537      14.69943969       9.98376169      -0.22115118       0.00414759       0.16325171
Cl      11.22252347       6.29108668      11.82162859       0.18638080      -0.03867534       0.06892012
Cl       7.38562598      11.84701739      10.22290086       0.38624958      -1.25820354       0.67604546
Cl      11.14220227       1.90061833       2.37362268       2.47438621       0.06129789      -0.13139890
Cl      12.14972055       9.32793039       6.10871967      -0.85907331       0.72957038      -1.05717205
Cl      11.35720982       7.20094394       8.36881334      -0.45924823       0.10418507      -0.41904129
Cl      12.72527664       3.37448713      13.65090991       0.53290476      -0.82562883       0.06341657
Cl       8.49255306       8.27943127      11.60559383      -0.57336249       0.58128133       0.05724208
Cl       4.74957573      13.97927784      12.70485521       0.04656679       0.06672319       0.13319243
Cl       3.88325964       4.26237450       1.23908835      -0.80919660       0.50247967      -0.19673192
Cl       8.97434231      12.31700146       6.57513152      -0.15926113       0.03282599      -0.37077984
Cl       0.48279805       7.05762601       1.33880991      -0.79964917       0.60673484       0.14822910
Cl       4.19640349       0.93760863       2.04208115      -0.13359820      -0.23569108      -0.11527451
Cl       0.40621311       2.52563351       2.60665996      -0.53093929       0.03250967      -0.18234158
Cl       3.40884480       7.42059691       7.32523560       0.71541499       0.50036972       0.03555719
Cl       4.21262411       6.40823390      10.30224086       0.56486663      -0.45649814      -0.15906944
Cl       0.24205521       7.49127466       7.62261877       0.28507963      -0.12471067       0.67674515
Cl       4.99680989       2.20197233      11.03503578       0.24360585       0.95611900      -0.92022450
Cl       0.56889459      13.64710773       4.48107692       0.19676517      -0.02009517       0.45662551
Cl       0.22905265       8.80181807       4.83287123       0.46158164       0.67122598       0.14524220
Cl       7.47437946       9.67458867      14.57076325      -0.34472392       0.23938034      -0.32379678
Cl       0.44764928      10.24726246       1.69254057      -0.10211610       1.05596720      -0.34753643
Cl       1.88215932       8.31541407      11.49838135       0.16638118       0.02822306       0.14488087
Cl       7.39922494       1.99308200       2.24218659      -3.62178453       0.25967981      -0.30941730
Cl       6.14013371       4.11228010       8.10235360       0.16830386       0.85941151      -0.62031807
Cl      10.01753676       4.80357292       6.00477278      -0.78278236      -0.66514996       0.00542731
Cl       9.76001523       5.99929947      14.96111603      -1.05058462       0.69437305       0.95883292
Cl      13.90277415      14.99728280      11.81773442      -0.04397981       0.52017608      -0.44864064
Cl       6.55748508      12.81174574       2.06740863      -1.31633073       0.85561885       0.44314643
Cl       9.26157609      11.62774771       2.40350358       0.65560153      -0.49103152      -0.02184909
Cl       6.35578518      14.43403783       9.22061059      -1.13012574       2.44052137      -0.15882234
Cl       0.93252321      15.07574891       8.42506424       0.46248115       0.50351349       0.17299980
Cl      14.90905059      11.21142354      12.97528578      -0.92318395       1.34678595       0.68484746
64
Lattice="15.3658 0.0 0.0 0.0 15.3658 0.0 0.0 0.0 15.3658" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.51632109 stress="-0.002925264711240006 0.0019695747454012533 0.0005269671826683042 0.0019695747454012533 -0.0031444775841782155 0.0005187769994952108 0.0005269671826683042 0.0005187769994952108 -0.0036734829441345948" free_energy=-216.51632109 pbc="T T T" config_type=density 
Li      15.23738801      14.84586743      10.46753637       0.23722537       0.21221758      -0.28833924
Li       6.19444569      14.17050978      10.91890675      -0.07080998      -1.06330488       0.91977213
Li       0.78008171       9.88933669      11.97605842      -0.08632123      -0.05769999      -0.28915272
Li      10.86813815       4.80474737      13.82885122       0.51283392       0.50758409      -0.53020139
Li       9.36225901       2.12352283       2.44635829      -0.85339514      -0.19955506      -0.28412583
Li       5.90478499       3.17649501       1.49220664      -1.01889369       0.54938534      -0.29763210
Li       8.31853705       4.21010627       7.30686814      -0.80399132      -0.54158411       0.86696838
Li      10.30902278       7.43644793      10.47700171      -0.37323298       0.18007961       0.84593159
Li      12.93608288       1.53078709      12.47460180      -0.18744732       0.30970587       0.04153454
Li      10.64811526       6.94351307       6.52717672       0.93521458       0.60696211       0.73323949
Li      13.34602705       2.44038099       2.56780957      -1.31647950      -0.12367176       0.02773676
Li       7.65424278      12.76042105       3.75289689       0.67780726      -0.91061624      -0.28567678
Li       7.05127343      11.28017207       0.64977358       0.47800133      -0.18098962       0.68611066
Li       7.90197021      13.31818422       7.72999618      -0.27926207      -0.06871297       0.74873005
Li       8.83029502       8.25894848      14.51153835       0.36281033      -1.16125271      -0.79963449
Li       6.21657244       1.63808647       9.04068355       0.20415583      -0.45416072      -0.27372525
Li       1.62067702       7.93995447       6.42519390       0.09267630       0.01252916       0.14087493
Li       7.55648556      10.47750878      12.37515435       0.09654931      -0.51036387      -0.31616566
Li       4.53965659       4.04891903      10.75003661       0.36806165      -0.33202659       0.21408942
Li      14.87606122      10.53837271      15.31673700       0.14434184      -0.50890125       0.37121864
Li       4.78392671       5.55651913       7.62472508       0.71326890      -0.71841269       0.59170081
Li       1.20673927      13.89550806       6.93752041       0.54675576      -0.31743589      -2.29081192
Li       1.69767505       1.84019284       2.56576592       0.75888606      -0.20224198      -0.04480361
Li       2.93660414       7.51006548       9.70507001      -0.53211192       0.62235321      -0.71386208
Li       1.93215716       5.55859352       0.45033626      -0.33595944       0.48708629       0.03479552
Li      13.95458956      13.01938088      12.75914569      -0.11114738      -0.96207412       0.34753076
Li       0.81577340      12.06891395       3.32664960       0.81226742       1.06078467       1.20345857
Li      13.85803087       8.44287710       7.33378902       0.43361423      -0.25349726       0.34147753
Li      10.28973870      10.56609261       6.30131482       0.46553372      -0.55148204      -0.17268236
Li       4.97752042      14.56322890       1.85157890       0.30434596      -0.05291759      -0.19744171
Li       0.56807209       8.37345442       2.54268649      -0.11482379       0.07765818       0.42270132
Li       3.99335630       0.73969271      12.42206613       0.62931850      -0.26360596       0.20294373
Cl       8.23855806       8.49281595      11.67441240       0.34316516      -0.28232334      -0.38357944
Cl      13.91214922      14.96530579      12.06230666      -0.27916594       0.54425805       0.21040789
Cl      15.32425088      10.68510074       2.17899337      -0.71059806      -0.58156199      -1.34594995
Cl      11.46428509       6.92499728       8.72052174       0.02202253      -0.46583504      -0.39706382
Cl      15.26692108       2.84129008       2.35508543       0.80477771       0.53115729      -0.17645611
Cl      12.04437477       8.87476364       6.37225872      -1.19689035       1.04431677      -1.07155140
Cl      11.96734601       2.84694469      13.72101404       0.02162905      -0.14663903       0.18969427
Cl      11.25603240       2.92355857       2.37441561       0.38695207       0.12796942       0.14518533
Cl      11.39887288       6.90617418      12.33634034       0.71811710      -0.14516702       0.07665876
Cl       3.51443504       4.23404619       0.97462965       0.59125769      -0.37265546       0.11305009
Cl       7.73431397      10.09006013      14.49932254      -0.11591301       0.10116168       0.06596069
Cl       0.60634061       7.47277268       0.52906447       0.17712113      -0.14509220      -0.11793041
Cl       3.55761294       0.78616196       2.15760417      -0.02559248      -0.00817630      -0.01311191
Cl       3.34756246       6.91634634       7.33444975      -0.81511230       1.09087542      -1.16532063
Cl       4.10830785       5.82812501       9.94222577       0.47047493      -0.21484828       0.69663118
Cl       1.85076451      13.70738457       4.61000122      -0.44245061      -0.17267121       0.39224997
Cl       0.40547119       8.65589319       4.82884094      -0.14878169      -0.08311293      -0.88290403
Cl       0.81677371      14.03063491       8.85366640      -0.00934814      -0.06911732       1.15980551
Cl       0.49592198       8.77886568       8.10472194      -0.07759484       0.20353445       0.71321102
Cl       2.11777602       8.51002565      11.38166318       0.41332662      -0.20749779       0.40640616
Cl       4.82232584      14.20999989      13.24911495      -0.17412407       0.55446608      -0.65096384
Cl       7.16874497       1.57634669       1.93381666       0.70416223      -0.36399191       0.33421579
Cl       5.88911187       3.63494901       8.32998457       0.92104709       0.37357606      -1.15849959
Cl       9.09414117       5.62929156       6.14290879      -0.41190564       0.02354495      -0.97238908
Cl       9.11234964       5.84891494      14.17817732      -1.30520730       0.26622772       1.03672661
Cl      14.69976940      10.97393168      13.11743005      -0.45751113       0.56773524       0.35856942
Cl       6.58538237      12.94739210       1.81849633      -1.34916958       1.58795151       0.36914417
Cl       8.87517852      11.07877253       2.49213300       0.13523554      -0.02122788       0.50679284
Cl       7.07184823      14.86968442       9.04318818       0.06368151       0.66717230      -0.47959595
Cl       8.72709830      12.12486083       6.23647115       0.02188776       0.02928731      -0.64694016
Cl       6.97550467      11.78856493      10.82837145      -0.31063852       1.26056754      -0.62176448
Cl       5.29294957       2.04099312      10.92708135      -0.65464697      -0.88572285       1.35275141
64
Lattice="15.4139 0.0 0.0 0.0 15.4139 0.0 0.0 0.0 15.4139" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.26833094 stress="-0.004145002082656779 0.003960769491712708 -0.00012295474633853802 0.003960769491712708 -0.005723566847094016 0.0012916576194743586 -0.00012295474633853802 0.0012916576194743586 -0.0032445917275988755" free_energy=-216.26833094 pbc="T T T" config_type=density 
Li      14.47403745      15.27035035      10.10891345       0.61835468       0.08426107      -1.35676323
Li       6.11204294      13.52061066      11.23545375       0.59429386      -0.15309674      -0.58464733
Li       0.95995920       9.95978397      12.47685842      -0.14447606      -0.18603571      -0.04361812
Li      10.80962934       5.31679360      14.24213532       0.19874828       0.47627728      -0.51326888
Li       9.00332065       2.43914178       2.08839848       1.09126869       0.35825876       0.05231630
Li       4.57282630       2.82783409       1.85629598       1.23663140      -0.43117059       0.12279524
Li       7.80091313       4.68815310       6.97337167      -0.70876101      -0.75363211       0.79634916
Li      10.54261436       7.82224597      10.68767457      -0.26864372       0.11574289      -0.23031880
Li      12.81557888       1.54183700      13.12314784      -0.38948929       0.76827881       0.34736975
Li      10.93856662       6.95336443       6.22171284      -0.19026707       0.12164936       0.64969916
Li      13.14733225       2.53000672       2.37842643       0.09010616       0.20580877       0.01345853
Li       8.10083680      12.54535780       3.69142867       0.61113435      -0.47050325      -0.49641191
Li       7.27403520      11.76988449       0.33306663       0.48055924       0.23178205       0.66301726
Li       8.01385616      12.46814957       7.88730804      -0.67025184       0.59474011       1.67880054
Li       8.55209414       8.32133264      14.69115764      -0.16538546       1.00330295      -1.02204768
Li       6.62108699       1.18443182       8.21628691      -0.08705235      -0.04620720       0.13894360
Li       1.80664781       7.83012247       6.50307817      -0.45210133       0.28741415      -0.18353031
Li       7.69938178      10.75668260      12.17593285       0.52429421      -0.73828789       0.04327659
Li       4.41139652       3.53174067      10.91854396       0.13191693       0.38619439       0.10957370
Li       0.02974883      11.12854294      15.37234413      -0.15260436      -0.26774301       0.37160019
Li       4.39038738       5.02728973       7.91238646       0.25378111      -0.20079969       0.36386042
Li       1.28832613      14.29588359       6.89021368       0.11044019       0.03922859      -0.19905506
Li       1.52174807       1.33184265       2.52712432       0.34398642       0.07337209      -0.01654599
Li       2.67024238       7.25399713      10.09847824       0.06157316      -0.77627766      -1.01322627
Li       2.10310334       5.72661837      15.00874101       0.79147365      -1.07833234       0.18940381
Li      14.33649922      13.60867027      12.97697782      -0.23616273       0.07268429       0.01158788
Li       1.35415890      11.59327202       3.78355755      -0.34573966      -1.12260455      -0.34463604
Li      13.76384201       9.20473408       7.69098120      -0.40002404      -0.56915038      -0.34329073
Li      10.52154355      10.45794580       6.18265402       0.57457100      -0.77926461      -0.18654815
Li       5.09947302      14.92617338       2.12952277       1.29098795      -0.52454981      -0.37179188
Li       1.42076236       8.46085926       2.28323018      -0.07859908      -0.61101481       0.35675073
Li       3.99432722       0.27485758      12.59685564      -1.51301579       1.39908713      -0.03753845
Cl       9.09868644       9.03792485      11.84525846      -0.68125933       0.53780211      -0.02859001
Cl      13.53291096      15.30258081      11.88783165      -0.52540678      -0.16415239       0.90989513
Cl       0.47027809      10.39502626       1.90763968       0.02031258       1.05965060      -0.00796955
Cl      10.81098577       7.60011626       8.53333542       0.07470318      -0.11913650      -0.15347152
Cl      15.02670283       1.97190023       2.51798388       0.74524451      -0.35116597       0.09802294
Cl      12.09132596       8.87805188       5.97242383       0.57248162       0.73604639      -0.44927521
Cl      12.18496540       3.36060013      14.02557003       0.10127799      -0.27033144      -0.08058143
Cl      11.27659345       2.93508401       2.12086016      -2.20906328       0.19149050      -0.05055360
Cl      11.24086403       6.91482968      12.42163042       1.00573556      -1.16764384       0.78538394
Cl       3.27102996       4.19665007       1.12393997      -0.89579994       0.77657510      -0.75466828
Cl       7.56366239      10.17416049      14.45304372      -0.85714910       0.60590438      -0.29596386
Cl       1.08662446       7.26134956       0.37589107      -0.50017386       1.02998018       0.18599238
Cl       3.58941948       0.89159084       2.55807543      -0.06711682      -0.10730406       0.28613756
Cl       2.90598257       6.54609836       7.79485547       0.20100164       0.03965682      -0.71006623
Cl       4.00497822       5.44260185      10.26342238       0.42899690      -0.13625414       0.68117170
Cl       1.47289217      13.08643193       5.21258022       0.18675756       0.29740665      -0.17476141
Cl       1.08784216       8.61589227       4.58973535       0.35186371       0.29327239      -0.52302631
Cl       0.68513861      14.70166992       8.82572169      -0.17663712       0.18286669       0.75559429
Cl       0.24723279       8.24097998       8.04631784      -0.40036929       0.37695691       0.37276061
Cl       2.15110223       8.88677615      11.17680386       0.03898974       0.80641459       0.59707068
Cl       5.10775028      14.25038176      13.06990823       1.36784038      -2.38088454       0.93406247
Cl       7.03846457       2.10425939       1.61554627      -1.33902056      -0.23685226       0.00541949
Cl       6.17409930       3.31252418       7.78770342      -0.21607577       0.30302304      -0.07494305
Cl       8.98564090       5.84707800       5.95499071       0.78527338       0.66682889      -1.01470234
Cl       9.41203562       6.71686896      15.30558652       0.62270527      -1.93942266       1.11442673
Cl      15.32776713      11.77725233      13.30509351       0.19870275      -0.13461730      -0.05454165
Cl       7.01670014      13.46038856       1.71175984      -1.00992168       0.69451678       0.56346573
Cl       9.60178073      11.45083217       2.33935219      -0.35058474       0.16131390       0.33537775
Cl       6.92939581      14.48239178       8.40657151      -0.17845620       0.14120526      -0.10507838
Cl       8.80777991      11.63498203       6.24941162      -0.21641678       0.12868829      -1.31794385
Cl       7.85943971      11.99555940      10.36536992      -0.56388695       0.57672998       0.04227187
Cl       4.66358334       1.52718147      11.15278900       0.28390397      -0.10797669      -0.83648060
64
Lattice="15.4175 0.0 0.0 0.0 15.4175 0.0 0.0 0.0 15.4175" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.35755969 stress="-0.0037660049533035857 0.003991682257107618 0.0002362883311897095 0.003991682257107618 -0.005389927457366129 0.00026906180904371865 0.0002362883311897095 0.00026906180904371865 -0.0026850722599184745" free_energy=-216.35755974 pbc="T T T" config_type=density 
Li      10.80695829       5.41795618      14.35409335       0.57947500       0.06897640      -0.90205431
Li       1.92616995       7.79647557       6.45371925      -0.73680453       0.70389457      -0.58856152
Li       6.09336602      13.50338654      11.26658481       0.69567626      -0.24691068      -0.90957204
Li      12.83287947       1.61171462      13.15189838      -0.69536739       1.71716295       0.91887719
Li       1.02426315      10.02923793      12.44830534      -0.22424102      -0.02660733       0.16674705
Li       0.10116208      11.19814652      15.40074118       0.03011683      -0.80764827       1.76854590
Li       8.96513749       2.49846755       2.07089402       0.42146716       0.25934928      -0.09556693
Li       1.23842302      14.24307194       6.88306579       0.26842697      -0.26822717      -0.64488800
Li      10.92781608       6.93058252       6.17944192       0.47513276       0.81062813       0.79681328
Li       6.69753159       1.19002749       8.17832080      -0.29533635       0.30853975       0.13482966
Li      13.17480878       2.44655682       2.32774957      -0.74256470       0.34784034      -0.19887276
Li       8.57097369       8.29567881      14.70676867      -0.19998039       1.13342987      -0.90051707
Li       8.24569527      12.47539389       3.70314474       0.36916313      -0.41583324      -0.34305563
Li       7.26170417      11.79355496       0.34314730       0.43896238       0.03599125       0.39761381
Li       7.96912074      12.46645174       7.91737961      -0.70321157       0.59394069       1.50182304
Li       7.75170315       4.70950664       6.98121359      -0.45340321      -0.35101690       0.42108476
Li       1.39511724       8.44794204       2.31799029       0.15490796      -1.25147179       0.19606289
Li       7.75430871      10.74528829      12.12791428       0.39544086      -0.58906445      -0.01648703
Li      10.57981227      10.49560188       6.12788580      -0.51874112       0.28523447      -0.04370838
Li       1.31021924      11.56267789       3.84370609      -0.26127711      -1.32029484      -0.37883574
Li      13.77376324       9.10728684       7.68496080      -0.64128112      -0.35784747      -0.30119719
Li       1.46493693       1.36628806       2.44857652       2.74731473      -0.65144799      -0.19562152
Li       2.13159272       5.69083051      14.98140060       0.47393414      -0.69258283      -0.00420659
Li      14.35950490      13.58135284      12.95239593      -0.44008799       0.25754376      -0.05088982
Li       3.88504041       0.16862120      12.60203324       0.65079943       0.24485522      -0.25841198
Li       4.36776233       3.55690975      10.91801055       0.11296716       0.12243796       0.23732270
Li       2.69596572       7.24474492      10.17012304       0.12348369      -0.89373938      -1.03742670
Li       5.11714534      14.88846391       2.10196028       0.66062819      -0.12608268      -0.16717432
Li       4.33271835       5.02844846       7.83503474       0.22395426      -0.22288028       0.44596218
Li      14.50396687      15.33708232      10.17493330       0.11104673       0.15826255      -0.53203511
Li       4.59641928       2.73614372       1.89786341       0.33699825       0.93575013      -0.54625245
Li      10.50904594       7.89104652      10.75771480       0.01888048       0.04343740      -0.80578044
Cl      11.22461837       6.83613492      12.29491664       1.09004459      -1.45658287       1.41276217
Cl       9.12413817       9.06155854      11.72359034      -1.10391255       0.95443971       0.51174452
Cl      15.15225733       1.94800113       2.52823874      -2.41733030       0.63573772       0.22286275
Cl      11.14120970       3.03641496       2.15092626      -0.49385684      -0.14801537       0.23922993
Cl      12.04304094       9.13617924       5.98572104       1.31022651      -0.70164584      -0.33976418
Cl      10.79918788       7.70928961       8.65920804       0.34221571      -0.11348619      -0.89788477
Cl      12.16224905       3.50993263      14.17281439       0.34588573      -0.80987337      -0.30240923
Cl       5.30525426      13.99517396      13.18834535      -0.47577370       0.02864128       0.36661647
Cl       2.85498182       4.19585721       1.01832896       0.42677673      -0.61893744       0.03075663
Cl       9.09667960       5.90838686       6.06896012      -0.15501638      -0.10926941      -0.66231023
Cl       7.47275433      10.21190446      14.36732157      -0.52272617       0.22020268      -0.05736194
Cl       1.09638622       7.19950997       0.41822898      -0.51375584       1.09230549       0.14833610
Cl       3.55888320       0.97414549       2.54518257       0.14145625      -0.86075345       0.31127223
Cl       2.80399614       6.46307767       7.74408691       0.48587667      -0.45365783       0.11505407
Cl       4.83283122       1.64393719      11.07425149       0.01910603      -1.75551022       0.30194770
Cl       3.92006897       5.41616775      10.46060416       0.03236321       0.87040705       0.05233250
Cl       0.76211786      10.37973937       1.95376727      -0.38857971       1.85978254      -0.85486686
Cl       1.13622812       8.63657515       4.54191841       0.35453560       0.12419834      -0.01582691
Cl       0.56159015      14.92626762       8.66619217      -0.35796915       0.37338065       1.10413480
Cl       0.31595391       8.34277927       7.92743182      -0.26369996       0.35627095       0.38487970
Cl       1.57239999      13.10694094       5.13950071       0.24854595       0.67384431       0.16672828
Cl       2.09454446       8.93120357      11.08860519      -0.04176842       0.92807781       0.48163564
Cl       6.89763533       2.27380373       1.53783550      -0.64401849      -0.22232588       0.13390830
Cl       5.97890650       3.39437847       7.70805621       0.23818192      -0.06736411      -0.10328236
Cl      13.41014150      15.37226505      12.05798050       0.28371025      -0.92214431      -0.32318269
Cl       9.38039244       6.61766894      15.32120230      -0.02413348      -1.13059648       1.18212008
Cl       6.90030255      13.40724301       1.78947839      -0.64202012       0.52789188       0.55939996
Cl       9.67987738      11.38719591       2.36695627      -0.33762621       0.21498491       0.20766402
Cl       6.70763006      14.49662814       8.46821605      -0.03830372      -0.00150832      -0.15291219
Cl       8.77474679      11.59146236       6.28525222      -0.14024658       0.11726923      -1.23947626
Cl       7.71231144      11.94828498      10.27930978      -0.45530179       0.51309369       0.10715280
Cl       0.04563580      11.88689250      13.51396295       0.32063442       0.07552343      -1.15582794
64
Lattice="15.4619 0.0 0.0 0.0 15.4619 0.0 0.0 0.0 15.4619" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.46908549 stress="-0.0035373009295131016 0.0016427740087018503 -5.7956051033646444e-05 0.0016427740087018503 -0.0057123870372232065 0.0010482204634601545 -5.7956051033646444e-05 0.0010482204634601545 -0.003257346850682494" free_energy=-215.46908549 pbc="T T T" config_type=density 
Li       6.43071244       1.17519408       8.08546044      -0.05096376       0.34891486      -0.03012230
Li       9.05269506       8.69258741      14.58726670      -0.98869311       2.58607593      -1.71952261
Li       0.64729853      14.25710875       7.39655549      -0.03015837       0.18046313       0.11551218
Li      10.47334989       7.55103533       7.12447243       0.36796015      -0.37217324       0.40151584
Li       0.59453170      10.55903974      11.89680333      -0.62001298       0.51949045       0.34694129
Li       0.85334226      11.74147308      15.32037723       0.71503558      -0.76344782       1.94117324
Li       8.82667301       2.12522269       2.21559750      -2.61464749      -0.29824364      -0.34671835
Li       4.89378412      14.43768828       2.06090119       1.04346047      -1.01924878      -0.23141106
Li      12.54461056       1.73151633       2.63560455       0.67480131      -0.11772498      -0.00871385
Li      14.41584062      13.97850078      13.30179526      -0.00982442      -0.41699932       0.49025164
Li       5.94295135      13.32948752      11.11849767       0.41930959      -0.25485015      -0.78075199
Li       7.86512837      10.72639935      12.00528402      -0.16328883       0.45961717      -0.32803671
Li       8.57156712      12.27490863       4.03097918       0.16253546      -0.11424021      -1.38555257
Li       7.72490440      11.58962176       0.46389720       0.35913590       0.36680251       0.52698930
Li       7.89218669      12.80562289       7.50270143      -0.65894982       0.18429873       1.00756021
Li       8.12150213       4.57686156       7.37184737       0.99821758       0.91939780      -0.34122904
Li      12.78468748       2.29109796      12.82069824       0.03164116      -0.46398401       0.01829965
Li       1.33600248       7.92550709       2.68718545      -0.10584530      -0.31459927      -1.30954716
Li       1.35573341      12.04180503       3.97616674       0.06810650      -0.65839550      -0.46860798
Li       1.23752100       1.42763124       1.88231624       1.09031653       0.27708255       0.08168063
Li      10.84975439       8.25960782      10.78054692      -0.30701900      -0.26602921       0.03006470
Li       4.83433312       2.07260585       1.47194505       0.15904438       0.38899252       0.04848061
Li       2.09208784       5.20728961       0.06078351      -0.09294290       0.01684160       0.68523683
Li      14.03994637       8.32909360       7.32884783       0.48711454      -0.52681331       0.68635158
Li       2.78342031       7.66551524       5.63212077      -0.12253766      -0.31051082       0.53634939
Li      10.78043869      10.49657367       6.50103316       0.41972817      -0.18545625      -0.08892753
Li       4.54474719       4.58436058       8.02418493       0.10007924       0.30859785      -0.21225188
Li      14.38790096       0.57820239      10.46110407      -0.23020099       0.10027434       0.22851342
Li       2.79544967       7.58970554      10.28301390      -0.39910287       0.24090920      -0.55557410
Li       3.34927947       3.82728411      11.04786771       0.04681326       0.39778594      -0.21302187
Li       3.88492607       0.12383498      12.41310710       0.05468974      -0.98159295       0.85780647
Li      11.35559045       5.82794573      14.27623512      -0.51417859       1.53970686      -0.04184919
Cl      14.74828693       1.22305948       2.55398118      -0.85927328      -0.16182533       0.04710077
Cl      12.03442970       4.02637153      13.52815748       0.24871360      -0.61875007      -0.11340108
Cl      10.59135511       2.46866242       2.48197511       3.32319317       0.81314700       0.61129303
Cl       5.18302988      14.04923897      12.92386004      -0.07491719      -0.20548761       0.64753836
Cl       8.56091387       8.90500299      11.41069666       0.59126214      -1.01591260      -0.88785488
Cl      11.92942794       7.38349018       8.88301617      -0.43002439      -0.39122815       0.92259563
Cl      12.24819047       8.89173668       6.44328297      -0.89641591       1.30635393      -1.74784224
Cl      13.49157462       0.07315659      12.35806273      -0.59745873       0.94124203      -0.16317991
Cl       7.64584770      10.32310661      14.12081210      -0.50671860       0.52523250       0.74843364
Cl       2.64468069       3.28492704       1.42188715      -0.11280509       0.69610384      -0.80151713
Cl       8.85674640      11.41409828       6.10446635      -0.18785817       0.21035531      -0.10091786
Cl       1.21650364       7.21436792       0.51454884       0.19267801      -0.26587573       0.06577680
Cl       3.64427706       0.50590100       2.36602632      -1.39576879       0.10307804       0.41724185
Cl       3.39238725       5.79089902       6.61036426       0.21737774      -0.07922926      -0.59029365
Cl       3.55097995       5.71007967       9.79400039       0.44621495      -1.31363702       0.64390525
Cl      15.41795280       0.37179685       8.75325990       0.44845134      -0.10184387      -0.59949620
Cl       0.34117919       7.58658224       8.23851779       0.55397491       0.09629158       0.05482886
Cl       3.71945282       1.70942128      11.29218119      -0.31769343       1.41541942      -1.00000756
Cl       1.74175211      11.18509207       1.97732962      -0.26477591       0.36864414      -0.80764559
Cl       1.38067964       8.84051141       4.48947090      -0.04106681       0.58395632       0.89522777
Cl       1.11021699      13.33539397       5.58220976       0.00854281       0.21787876       0.20876894
Cl       1.81405196       9.11141936      11.29420670       0.41325727      -0.00422737       0.26828935
Cl       0.29850744      12.36485051      13.47782899      -0.01947937      -0.01736350      -1.26399131
Cl       7.02901066       1.45302587       1.64223932      -1.34820974      -0.26551454      -0.39491343
Cl       6.71038729       3.29485358       7.96089938      -1.30755371      -0.54549352       0.49385327
Cl       8.69153600       6.40915855       6.51930913      -0.00691153       0.23602390      -0.20836040
Cl       9.80046347       7.16853885      15.24523240       0.87881141      -3.48108480       2.41895505
Cl       6.55154719      13.04058192       1.87248248      -0.16441721      -0.17240390       0.30776578
Cl       9.75293359      11.96413991       1.86425674      -0.32103774      -0.07614857       0.54238936
Cl       6.39391312      14.60994931       8.27534804       0.17464076      -0.82631363      -0.16985060
Cl       7.25600682      11.88127958      10.07434010       0.07553362       0.23807051      -0.14170462
Cl      11.41808745       7.80996031      12.82627999       0.99011035       0.01960019      -0.24387602
64
Lattice="15.5284 0.0 0.0 0.0 15.5284 0.0 0.0 0.0 15.5284" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.76021167000002 stress="-0.002368567991027822 0.002269493583163388 0.00161856954241733 0.002269493583163388 -0.005932205567482464 -0.0017664382960393278 0.00161856954241733 -0.0017664382960393278 -0.002577649652594407" free_energy=-213.76021226 pbc="T T T" config_type=density 
Li       6.42054308       1.51204223       8.32743060       0.10949486       0.37289922      -0.27936246
Li       8.98808637       1.23657152       2.31663541      -2.76519938      -0.99495294      -0.00829555
Li       7.60475439       4.76606970       6.89196977      -0.93069111       0.54416494       0.10387141
Li      15.10989409       0.00869590      10.30491022      -0.24397648       0.84717714       0.77726073
Li       7.54287371      11.99654306       3.91147973      -0.54656928       0.46491313       0.13614225
Li       7.78940259      11.65243372       0.38933426       0.10739903      -0.04589339       1.04442447
Li       8.54134983      13.01668130       8.36800631      -0.56103914      -0.22658924       0.46087431
Li      10.20652228       9.10492206      13.70120423      -0.86963725       0.18885743       0.78537966
Li       0.64998621      10.98315968      12.19328789      -0.32964145       0.55835623       0.56544060
Li       7.30162449      10.48567633      12.13199730      -0.26259841       0.57047860      -0.10396420
Li      12.38824695       1.36588738       3.38526884       0.62470726       0.34482327      -0.12414541
Li      10.66370943       6.97715857       6.12553453      -0.27405290      -0.41199981       0.50741349
Li      13.13065976       2.16246946      12.77519915      -1.19829713       2.31232295       0.78514310
Li      11.56344046       5.64676290      15.00715820       0.33444716      -0.45652719      -0.50460984
Li      10.79472254       7.20430801      10.36918227      -0.38453966       0.18162271       0.39921936
Li      10.93537879      10.22138296       6.86667401       0.02976512      -0.69239160       0.12470285
Li      14.11602991       8.32982197       6.55972413       0.51284012      -0.27426753       0.49445591
Li       5.65437182      14.30414094      10.35539305       0.43565691      -1.11076376       0.38475402
Li       2.06198518       7.90373820       9.97424847      -0.47884941       1.04838058      -0.45477210
Li      14.90926716      14.45951811      13.64228948      -0.35845598       1.59974723      -0.18316235
Li       2.11416060       4.24687764      10.52928007      -0.62262705       0.33139647       0.26175582
Li       0.18325220      11.76041821       0.25039390       0.24386510      -0.39851131       0.79379254
Li       1.22345934       0.99660961       2.52701417       0.53175165       0.17273658       0.11224337
Li       0.73223083      13.68688704       6.92721924      -0.23711406      -0.11599668       0.51447608
Li       0.97511520       8.76512961       1.83227356       0.07456783       0.68374457       0.54425890
Li       4.75147300       1.94177983       2.44382854       0.26439786      -0.75882081       0.26148158
Li       5.26925197      14.28263411       1.46714963      -0.83086066       1.13150307      -0.15617489
Li       4.25447103       5.56843765       8.27100039       0.38695511      -0.06689502      -0.25305059
Li       1.96592650       4.84178618       2.49960655      -0.19102430       0.65076759      -0.25938871
Li       4.39223900       8.22568852       5.30679964       0.13147316      -0.22619137       0.44534231
Li       4.20015269       0.97674257      12.62764829      -0.55435386       0.82334545      -0.25259912
Li       1.32895774      12.09387507       3.94972618       0.32042711      -1.08031261      -0.43875999
Cl       6.19451169      11.79468939      10.26285932       0.20046214       0.74393825       0.10035160
Cl      10.68075962       2.10495226       2.23175718       2.03591870       0.80759496      -0.03246070
Cl      14.74676246       1.77124695       3.32386955      -0.18550609      -0.37934714      -0.13928469
Cl      11.28928656       7.64949171      15.29403607      -0.06242120       0.63561872       1.15484597
Cl       3.43197827      15.45508903       1.82204034      -1.04365921      -0.32886148      -0.00625055
Cl      11.01726004       7.61115209       8.32654548      -0.17693540       0.14193805      -0.09602693
Cl      12.95011105       4.20743551      13.69463572      -0.14431741      -0.56572937      -0.06467052
Cl      11.07985502       7.94381700      12.31945614       1.79475626      -0.86310597      -1.36652685
Cl      14.24393734       0.61566845      12.34450345       1.16745023      -1.69305576      -0.51854685
Cl       1.26984578       6.86776100       1.54936474       0.25988744      -2.12712483      -0.13329126
Cl      12.13605021       8.58333863       5.73751087       0.30995084       0.82301712      -1.19393083
Cl       5.28650402       7.00574636       7.01243910       0.05117194       0.32846384      -0.37052629
Cl       5.13693448      14.67545604      12.71237125       0.17158971      -0.21834924      -0.42744614
Cl       1.68529725      13.68730631       5.14606517       0.45505570       0.82971788      -0.36154113
Cl       2.48983918       5.96764176       9.55905011       0.48531052      -0.45747538      -0.51854295
Cl       0.15618154      14.31945195       8.85471295       0.15230388      -0.59693328      -0.32083927
Cl       0.50507363       7.95113088       7.60667991      -0.18421013       0.16613558      -0.15061484
Cl       1.27170298       9.68798242      10.82832600       0.18354807      -0.12455483      -0.26091405
Cl      15.30221488      12.53991283      13.83150303       0.31630832      -1.45753470      -0.27663262
Cl       6.50677228       1.00357254       2.14481366       1.96956485      -0.33812742      -0.08771967
Cl       3.41023851       9.44518036       3.91432143      -0.19084788       0.27292024      -0.09881690
Cl       5.85822866       3.79397633       7.60020457      -0.51817075      -1.31591747       0.61856738
Cl       1.12469251      10.84371465       2.11503019      -0.59560777       1.17758468      -0.73395857
Cl       9.51782221       4.96321826       6.44374251       1.36767383       0.04970587      -0.55705265
Cl       6.81547687      13.09825199       1.84640440       0.65101493      -0.55308718       0.26454970
Cl       8.77814241      10.85849768       2.84526873       0.95148291      -0.85255170      -0.44978923
Cl       2.73139897       2.46204335      11.09206035       0.68649575      -1.88049919       0.73869902
Cl       7.32286734      14.94083640       8.66087193      -0.46314332       0.67274599       0.13502271
Cl       9.54807154      11.87994031       6.87752836       0.04461012       0.21159129      -0.27571654
Cl       8.44265132      10.51171745      14.32743354       0.06417497       0.40592345      -0.26318339
Cl       8.22151138       8.69559343      11.79051225      -0.43441510      -0.79603915      -0.73226358
Cl       3.17268505       3.07139329       2.18290483      -1.78771758       1.31427429      -0.05963696
64
Lattice="15.5449 0.0 0.0 0.0 15.5449 0.0 0.0 0.0 15.5449" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.07870501 stress="-0.00336530778192716 0.0024153729368911287 0.00022977338154902128 0.0024153729368911287 -0.006179336042899272 -0.0004659033968597528 0.00022977338154902128 -0.0004659033968597528 -3.520755406593935e-05" free_energy=-215.07870501 pbc="T T T" config_type=density 
Li       1.98472620       8.10026085       9.83148082      -0.65137829       0.56674038      -0.54159819
Li       7.19259414      10.69276155      12.19041939      -0.02155720      -1.45020944      -0.37152693
Li      13.48521629       2.76332360      12.96828619      -0.03249959       0.71472427       0.01391694
Li       0.19535587      10.83583681      12.38434202       0.03960133      -0.15808884      -0.25487125
Li      15.07687415       0.01670750      10.61732215      -0.03479670       0.42215673      -0.08514016
Li       8.79015906       0.99273929       2.28562883      -3.72505710      -0.54202362      -0.32539487
Li       7.55503903       5.33061047       6.62096153      -0.94348258       0.95633391       0.14861664
Li      11.67031813       5.81646632      14.46883539      -0.49624802       1.63554690      -0.11457449
Li      10.75604484       6.81919010       5.82834263      -0.00785072       0.06175106       0.26171402
Li      12.77719273       1.41222152       3.21637971      -0.15890034       0.08357914      -0.14636375
Li       7.59704135      12.16198777       3.76806822      -0.63183510       0.52986063      -0.24081490
Li       7.92410604      11.71205619       0.05165461      -0.15635829       0.14154226       0.82956066
Li       5.06857009      14.29535430       1.65144354       0.55020910       0.15536835      -0.10755995
Li       8.64700607      13.21655379       8.28337977      -0.47084451       0.44458704       0.28542821
Li       6.08478684      13.93488362      10.77274006      -0.18664433       2.11084397       0.03669141
Li       6.55607712       1.75739758       8.31621060      -0.09891975       0.82088454      -0.37237235
Li       4.74983746       8.43027908       5.23034587      -0.02396069      -0.20847152       0.18522976
Li       9.75321225       8.81341423      13.89378290       0.12878683      -0.71946625      -0.31413450
Li      10.86207660       7.28867717      10.02565217      -0.21514874       0.17536736       0.76602866
Li       1.40661448       1.07751340       2.79150651       1.06060394      -0.13902838       0.01942268
Li      14.58035450      14.55364836      13.48958441      -0.87648144       1.58533454      -0.26888976
Li       4.63129206       1.80165391       2.71406182      -1.30290219       0.80032349       0.25024239
Li       1.85051153       4.76783846       2.24631577       0.32199006      -1.53054124       0.81921909
Li       4.29362574       5.59516913       8.15382858       0.06467373      -0.12498012       0.10188904
Li       0.73235288      13.32630078       7.29938760      -0.03961635       0.01996543       0.09967509
Li       4.17504924       1.06352299      12.91092551      -0.39241649       1.33974094      -0.57229769
Li      14.02260349       8.17139431       7.02697878      -0.02960804      -0.02883775       0.14982193
Li       2.34250762       4.10055808      10.63355102      -0.47410643       1.37130536      -0.30071322
Li       1.13257499      11.70447028       3.58110970       0.53681621      -0.04011225       0.92451655
Li      10.85778621      10.24606330       6.57476209       0.02190990      -0.55651831      -0.03307241
Li       0.37579951      12.01061154       0.40120299       0.01640994      -0.13375791       0.14291899
Li       1.27949761       8.60312282       1.65899836       0.87797412      -1.35847527       0.11958765
Cl      14.98986935       1.65425717       3.11463834      -1.10302417       0.01100275      -0.02167487
Cl      11.01737015       7.50821779       0.00170994      -0.37403068       0.59747303       0.71524533
Cl      10.57895734       1.29803024       2.55247258       3.56935870       0.46917147       0.53045404
Cl       7.52750901       8.38740624      11.78328292       0.02382038       0.30863006       0.05036001
Cl      12.41037973       8.78746979       5.73474678       0.41751686       0.41999366      -1.34014784
Cl      12.20933754       4.00927843      13.85816954      -0.01474551      -1.14442422      -0.03736395
Cl      14.19191854       0.93341839      12.44931970       0.53799271      -1.23569142      -0.36926284
Cl      10.76818540       7.80938468       7.89191256      -0.56671541      -0.02015166       0.96030174
Cl       2.68028275       2.95353100       3.35701442       0.14709958       0.37298440      -0.11447783
Cl       5.27837961       6.96706873       6.83894767       0.40489904       0.26872926      -0.34887666
Cl       6.13765505      12.02093335      10.99423934      -0.26367282      -1.11241210      -0.58840277
Cl       1.53365828       6.56823323       1.54709685      -0.22079527       0.63066440      -0.74749495
Cl       2.76949493       6.16625766       9.78985158       0.54011867      -1.30069600       0.10178843
Cl       3.44938222       2.51648614      11.07494846       0.65897684      -1.36915092       0.58974564
Cl       0.65399726      10.42879360       1.92577994      -1.00436778       2.02683022      -0.40330820
Cl       3.57999047       9.56471479       3.88330256      -0.36226809       0.37408938      -0.28710177
Cl       3.45609762       0.01756574       1.98727556      -1.92608443      -0.14762337      -0.22816446
Cl       0.99975159      13.26691926       5.13839778      -0.04634027       0.03099844      -0.15177114
Cl       0.28179484      14.06989107       9.40817765       0.16049831      -0.44138053      -0.28845275
Cl       0.39188693       7.78609842       7.83536021       0.35436800       0.03255433       0.06434884
Cl       0.51176143       9.12244684      11.07443548      -0.15755659       0.63769452       0.68411658
Cl       4.71270070      14.73263234      13.19449558       0.43716064      -1.08741481      -0.05049974
Cl       6.33086261       0.78490086       2.56127099       2.44336320      -0.47906138      -0.06489587
Cl       6.44821106       3.64133065       7.09666656      -1.04027675      -1.02329203       0.63716915
Cl       9.47032616       4.96261606       6.21884606       1.58814687      -0.00615828      -0.61210388
Cl      15.43798218      12.88247834      13.98555999       0.83859913      -1.86812877       0.16366709
Cl       6.74050181      12.97546793       1.55982190       0.29663413      -0.43531268       0.08761228
Cl       9.09031553      10.93893059       3.29208338       0.75070170      -0.64549102      -0.17695995
Cl       7.27638115      15.40302170       8.81458010       0.22738933      -1.25783594       0.46589406
Cl       9.73615949      12.09864230       6.88539583       0.02213618       0.15723399      -0.04769841
Cl       8.53152301      10.85002930      13.78765787       0.96442204       0.31493832       0.61514251
Cl      11.26447188       7.43221877      12.38031589       0.04831320      -0.02420847      -0.89234311
64
Lattice="15.5696 0.0 0.0 0.0 15.5696 0.0 0.0 0.0 15.5696" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.74575641 stress="-0.002635006943174589 0.001502327420555006 6.694469798619596e-05 0.001502327420555006 -0.005666838101448846 -0.0004378462092710622 6.694469798619596e-05 -0.0004378462092710622 -0.0009167101684873119" free_energy=-214.74575641 pbc="T T T" config_type=density 
Li       6.33042809      14.33423009      11.17272939      -0.11710129      -0.07396549       0.36818641
Li      12.89387082       1.59904463       2.73314986      -0.72620205       0.07608340      -0.04941589
Li       8.60483526      13.63470353       8.00391098       0.25402443      -0.63456972       0.00760618
Li      11.04253640       6.67110651       5.60100790       0.79883851       1.32272394       0.99375636
Li       7.08869875       1.54528747       8.50825703       0.04285001      -0.36021988       0.07627984
Li      13.71751823       7.73122501       7.58074482      -1.19932752       0.39473007      -0.47380976
Li       7.69114886       5.74714417       6.11004041       0.67503143      -0.24080844       0.57401854
Li      10.34704236       7.64238487      10.23484783      -0.27016652      -0.09727606      -0.09100496
Li       8.60348071       1.26440722       2.36703072       1.37672188       0.42259871      -0.22312597
Li       0.06308926      11.18431317      12.73289673       0.17075106      -0.50162559      -0.66342337
Li      13.27999690       2.61510116      13.28184968       0.13425739      -0.55831474       0.22676569
Li       7.17095295      10.58466560      11.77240810      -0.12649076       0.66589809       0.10622459
Li      11.83923283       6.20576231      13.63543530      -0.89815715       2.00458423       0.72527963
Li       0.83523742      13.21331231       7.31480048      -0.05777483       0.05866649       0.58445369
Li       4.41107008       7.77200179       5.02326676      -0.21352822       0.18916905      -0.11976399
Li       7.60316505      12.17142581       0.06183498       0.14907175      -0.46171998      -0.61160287
Li       4.90774032      14.09888001       2.19950182      -0.61193280       0.38246081       0.30808998
Li       1.41513807       8.50850615       1.43493949       0.15412589       0.16853157       0.35352588
Li       1.21928340       0.72945756       3.08938231       0.96676474      -0.10092198       0.05039367
Li      14.54667728      14.71051618      13.85407919      -0.36505849       1.05579649      -0.43633642
Li       4.84652066       1.75656227       2.76671792      -0.54709456      -0.09356265       0.04180362
Li       2.08995412       4.69390744       2.10617764       0.30818214      -1.90047243       0.72164227
Li      15.32198108       0.00295822      10.32303404      -0.21226119       0.58527239       0.44868455
Li       4.36264863       6.08199956       8.10042693      -0.02358714      -0.50278940       0.72878160
Li       1.50527516       7.72694337       9.73440974       0.30138730       0.68640480       0.97564082
Li       4.21674591       0.87880427      12.63726824       0.37710281      -0.64883656       0.53330779
Li       9.21869788       8.75895873      13.91375747       0.17028566      -0.16654744       0.13293706
Li       1.14436560      11.24623347       4.17470799       0.46353764      -0.99252955      -0.13940192
Li      10.73402477      10.46804929       6.55364945      -0.77221293       0.71199684      -0.60691662
Li       0.55624109      12.07009886       0.45321860       0.29839853      -0.56793209       1.05272473
Li       3.20831848       4.19188126      10.74165388       0.33373395       0.18730872       0.31739631
Li       8.19378225      12.20826349       3.49878494       0.46960730      -0.47629951      -0.01788757
Cl       5.24010458      14.60129544      13.49973067      -0.05768158       0.57642183      -0.67233708
Cl       6.48903561      12.34088534      10.46281791       0.06068819      -0.85325115       0.15244532
Cl       6.82013872       8.59342275      12.08291264      -0.10912926      -1.26468923      -0.41932567
Cl       3.09160876       2.90863482       2.83995732      -0.62149134       0.33279746       0.10449962
Cl      14.91888414       1.66021759       3.23098782       0.00563617       0.17323181       0.03197652
Cl      15.37111874       7.48695355       8.64721571       0.11644573      -0.35776933      -0.20154061
Cl      10.58849572       7.71210554      12.33977990       0.15364635      -0.09956752      -0.42321942
Cl      14.43717628       1.00805687      12.49318717       0.45603839      -0.99267154      -0.22122450
Cl      11.93864472       8.81230018       6.70051749       1.18158949      -0.76510997      -0.43359955
Cl      10.80531797       1.79475450       2.06339238      -0.10395740      -0.21427151      -0.00992220
Cl      12.53566104       4.41659729      13.05833251       0.07469565      -0.16668305      -0.47534184
Cl       5.74253557       6.31093496       6.46948019      -1.35054211       0.90125496      -0.58097519
Cl       9.86063249      12.51478220       6.81085924       0.34348899      -0.08777795      -0.25152765
Cl       1.80065538       6.45532743       1.45409788      -0.29098932       1.46048502      -0.87768943
Cl       2.66247945       5.82133331       9.74674087       0.11613851       1.10980019      -1.04895373
Cl       3.58337458       2.33090925      11.26342231      -0.03715046      -1.28646497       0.22379369
Cl       0.76737265      10.48438180       2.09641550      -0.55575209       0.90941683      -0.96913021
Cl       2.68486853       9.10203487       4.13050589       0.58242910      -0.31235469       0.56138289
Cl       3.18297118      15.10433364       2.78333068      -0.67975309       0.16056177       0.09682887
Cl       0.50754249      13.80262167       9.57837121       0.13796721      -0.39896712      -0.46367538
Cl       0.90046937      13.04634392       5.18260604      -0.11940730       0.62924779       0.16990813
Cl       0.76356899       9.67876399      11.31375883       0.06055443       0.08546490       0.19467701
Cl       6.66517449       0.81187368       2.67465488      -0.24652970      -0.35313842       0.34796122
Cl       9.47319856       5.61209346       5.07676390      -0.64999285      -1.13168998      -1.18477086
Cl       6.20555990       3.42833250       8.51375310      -0.27136349       0.43157325      -0.10190250
Cl      10.07197424       6.87120701       8.27961746      -0.18127672      -0.44587647      -0.21547885
Cl      15.38055392      12.87534300      14.24123287       0.10998076      -0.43432788      -0.30538925
Cl       6.60383027      13.45295959       1.39482441       1.37925873      -0.81365166       0.19752944
Cl       9.74287960      10.58169180       3.77357281      -0.55492083       0.54122377       0.06902719
Cl       7.33139768      14.86792484       8.96696859      -0.64730431       1.81864033       0.33245662
Cl       7.75809814      10.60068672      14.18518231       0.38915128       0.58629430       0.36609794
Cl      11.14459512       8.12680183      15.35970622       0.00575591      -0.27198584       0.11260960
64
Lattice="15.6045 0.0 0.0 0.0 15.6045 0.0 0.0 0.0 15.6045" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.01363873 stress="-0.00041681896448254554 0.0021934188430769047 -0.0008435743927689698 0.0021934188430769047 -0.0029958292972739405 -0.0009882369767756382 -0.0008435743927689698 -0.0009882369767756382 -0.0012037866955248483" free_energy=-216.01363873 pbc="T T T" config_type=density 
Li       6.38767087      14.13207498      10.65735855      -0.16160298      -0.00443239       0.31884399
Li      12.88383982       1.73671843       2.82358746      -1.43795123       0.42470722      -0.39341777
Li       8.88320492      14.01692938       8.29502451      -0.40055421       0.22609105       0.21268359
Li      10.57630878       6.91964388       5.85505807      -0.52075520      -0.23492160       0.38544952
Li       7.00315916       1.96357665       8.31203341      -0.44901609       1.10493335      -0.19212976
Li      13.73751520       8.11076657       7.40923506       0.35597287      -0.16538823       0.34153029
Li       7.57387814       5.66568186       5.89733066       0.79026223      -0.13044175       0.40269517
Li       9.71798326       6.59152805      10.32259521      -0.31320345       0.10704998      -0.57846490
Li       8.69904061       2.45070233       2.11033698      -0.33816331       0.20296023       0.04403321
Li       0.68062148      10.78759371      12.81922159       0.10205502      -0.72466049      -0.78640973
Li      13.63578947       2.96413719      12.91236485       1.21428708      -1.36070560      -0.11892568
Li       6.58956189      10.30450960      11.80736339      -0.16862357      -0.56482146       0.24088024
Li      11.66982532       6.24273627      14.14580694      -0.10663506      -0.29787374      -0.60448689
Li       1.35786926      13.47089672       7.65701892      -0.12752960       0.10017125       0.77019174
Li       4.24028881       7.97619336       5.13275698       0.30303243      -0.27613998       0.10876193
Li       7.11284319      11.52847976       0.13963905      -0.28634590       0.50491360       0.70886368
Li       4.90986230      14.13717766       2.86575082       0.41748605      -0.25341035      -0.22526627
Li       1.43612115       8.73798945       1.81648864       0.74255153      -1.28323036       0.15345573
Li       0.99870516       0.59401026       3.29429720       0.74668454       0.21505713      -0.04997227
Li      15.39181066      14.69152752      13.54668777       0.09067441      -0.38127851       0.25309520
Li       4.46511844       1.66398586       2.62684593       0.28801395       0.18226491       0.03465579
Li       2.46769563       4.91288957       1.23104213       0.67769796      -1.32004482       0.41385025
Li      15.28718249      15.43876461      10.64270593      -0.10161708       0.41398711      -0.28926296
Li       4.39558479       5.56002379       7.94080236       0.15042289      -0.00907948       0.10818450
Li       1.53303133       7.48231094      11.13526197      -0.12662519       0.15143803      -0.22510288
Li       4.78252958       1.13762891      12.41267755       0.45701200      -0.66597023       0.31400738
Li       9.46788993       9.20918293      13.38266887       0.54510759      -0.90774484       0.17916804
Li       1.27685538      11.27796512       4.19701753       0.18348011      -0.52643882      -0.21103442
Li      10.79935950      10.54439758       6.94102204      -0.28189262       0.06672522      -0.31026950
Li       0.32976366      11.73591038       0.37598263      -0.28538262       0.54364219      -0.79775886
Li       3.31679889       4.23855671      10.63647973       0.16735364       0.02651607       0.12187055
Li       8.29391659      12.30664497       3.55848139      -1.08099289       1.09385405      -0.15533693
Cl       5.72705436      14.68445868      12.82967660      -0.22450585       0.49187912      -0.20565265
Cl       6.13729666      11.98949911      10.17750457       0.21752419      -0.16302350       0.11467708
Cl       6.28685019       8.08525321      12.73130583      -0.16851148       0.55125554      -0.63066755
Cl       2.77159327       2.75497448       1.89465158      -0.67892502       0.42901525      -0.31771414
Cl      14.61089907       1.21009933       3.67286237       0.89808655      -0.38426229       0.46387477
Cl      15.56019882       7.47677134       8.39327044      -0.45478484       0.19991200      -0.48822282
Cl      10.34141424       7.57564145      12.11364851      -0.15403828      -0.35984356      -1.26842921
Cl      14.92921526       0.86647887      12.51370108      -0.23760388       0.68939875       0.13917573
Cl      11.71016296       8.61649281       6.66329315       0.54383598       0.08373402      -0.02523399
Cl      10.68859876       2.00085580       2.58667994       0.72980929      -0.21583451      -0.00503433
Cl      12.33440538       4.36674768      12.98579962      -1.07051207       1.10285257       0.15147972
Cl       5.57940458       6.45703287       6.19423748      -0.98657717       0.90111388      -0.31646930
Cl       9.77028954      12.37819160       7.33653370       0.04375635       0.19371879      -0.00661750
Cl       1.59105042       6.64718931       0.90078225      -0.79674666       1.36807468      -0.40053651
Cl       2.32527336       5.96002954       9.85087118       0.78675912      -0.60571494      -0.34632205
Cl       4.34433961       2.36476835      10.75420008      -0.18820838      -0.10404559      -0.06432032
Cl       0.60054542      10.65639107       2.04966668      -0.31520559       0.40441261       0.90761273
Cl       3.16571612       8.72547464       3.44194698      -0.34451024       0.48053985       0.02340032
Cl       3.27628961      15.48915154       3.47014431      -0.10295851      -0.46189003       0.11919156
Cl       0.29012198      13.76786595       9.62771122       0.26103613      -0.41290903      -0.27727923
Cl       1.34197296      12.74428878       5.72447962       0.04920456       0.04442832      -0.53500082
Cl       0.40033345       9.27572052      11.32640149      -0.05965317       0.50272694       0.48607312
Cl       6.57924731       1.96223467       2.06940637      -0.13410930      -0.23633262       0.04233580
Cl       9.51175418       5.40271483       4.76491210      -0.25978133      -0.28795652      -0.40936323
Cl       5.87014762       3.82405437       7.89957527       0.05644907      -0.41007917       0.11153068
Cl       9.11145195       6.49704281       8.06078536       0.10769439      -0.04962742       0.12446871
Cl       0.26231164      12.55935985      13.89794507      -0.07814673       0.56281265       0.55998926
Cl       6.61789966      12.69646098       2.04287872      -0.55473533       0.44879030       0.24602594
Cl       9.59495738      10.91598753       3.65577545       1.33477490      -1.27788321       0.33708803
Cl       7.40285282       0.07786645       9.03578572       0.41216973      -1.16408175       0.29345539
Cl       8.01208371      10.34119578      14.41506259       0.05556018       0.32015385      -0.54876429
Cl      11.19808569       8.11526067      14.79515700       0.26765006       1.10093629       1.55086708
64
Lattice="15.6211 0.0 0.0 0.0 15.6211 0.0 0.0 0.0 15.6211" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.96449802 stress="-0.0007858294545399973 0.0030560108020769843 -0.0008717163712591357 0.0030560108020769843 -0.005573514813579784 -0.0009331192769830237 -0.0008717163712591357 -0.0009331192769830237 -0.0026540983651831855" free_energy=-213.96482728 pbc="T T T" config_type=density 
Li      15.49099186       0.17089483      10.53938434       0.02115002       0.06618194      -0.40005813
Li       6.20762207      14.30625639      10.44870385      -0.38885421      -0.78644705       1.01714230
Li       7.29217942       5.50271993       6.10388234       1.01710152      -0.19983985      -0.02948342
Li      12.39371826       1.40271854       3.23994111       1.73490483      -0.16614936       1.17778018
Li       6.67195926      10.43389505      11.79349311       0.22820104      -1.78921853       1.00584142
Li       9.09524489       2.23342677       1.88149901      -1.97899932       0.37257550       0.03784217
Li      10.60268104       6.95181127       6.00175159      -0.27292644       0.26973672      -0.34202987
Li       0.47948810      11.09038740      13.03348041       0.16881812      -0.61510568      -0.58222819
Li       9.38984321       8.61119386      13.80745905      -1.25122315      -0.15134795      -0.96220193
Li      14.29229113       2.60887991      13.27140538      -0.87062654       1.96785929       0.80865770
Li       7.93089495      12.43672314       3.30289414       0.69640735      -0.62210909      -0.33791960
Li       1.32008293      13.29271256       7.76743576      -0.05719885       0.90173617       1.36475748
Li       4.63217165       8.14498213       4.75770281      -0.07009275       0.08213962      -0.10614747
Li       4.88523347      14.29200995       2.80703356       0.87620399      -0.57716456      -0.48678347
Li      11.97804078       6.02852615      14.35316656       0.01465683      -0.37922790      -0.29755612
Li       1.33628825       8.57204738       1.99971950       0.36429050       0.57257750       1.04168058
Li       0.63142986      12.08349883       0.56463247      -0.04073534      -0.40637521       0.45774328
Li       7.44115785      11.59087182      15.47847045       0.25150869      -0.34554836      -0.61253014
Li      10.82373522      10.88559478       7.54834984       0.02608912      -1.19090149      -0.31453722
Li       0.72954442      11.63328311       4.27913479       0.14466781      -0.32457739       0.12839907
Li       1.55147203       7.77262197      11.12869034       0.53742981      -1.06974809      -0.58227847
Li       8.82325029      13.98952297       8.28540020       0.47583515      -0.70363949      -0.05689685
Li       4.95284159       0.85098442      12.66697816       0.06336055       0.30647303       0.46636824
Li       2.97278906       3.76068610      10.67884952       0.17277752       0.31380213       0.17250879
Li       4.43867308       5.31893769       7.62537748       0.20142780       0.00525404       0.19250852
Li      13.59465280       8.02213780       7.72396224      -1.16132870       0.91981768      -0.18688300
Li       2.58716658       5.25048603       1.17891973      -0.36702796       1.43775031       0.23962298
Li       4.42714471       1.89872908       1.99998505       0.42806774       0.22486370      -0.19494877
Li      15.26835994      14.70721879      13.68616121      -0.23206848       1.17443411      -0.30336105
Li       1.07346637       0.85510995       3.24515856       1.12731985      -0.16786491      -0.27600090
Li       6.65747850       1.66847407       8.27749592       0.00871374       0.06088867       0.25262023
Li       9.68023946       6.83866764       9.60674218      -0.03021957       0.20405423      -0.14193576
Cl      13.19887661       4.21696281      14.23930436       0.31407789      -0.47981447      -0.01833047
Cl       5.61070859      14.54858652      12.71179509       0.15572711      -0.36256975       0.11742918
Cl      10.99744185       1.69329600       1.91794304       0.21207998      -0.20685738      -1.07811978
Cl      14.81425456       1.31487329       3.75828045      -1.30010330       0.08124672       0.11516017
Cl      15.02677963       6.83566839       8.22649303       1.28662713      -0.93879501       0.33936067
Cl       8.34065203      10.51331272      13.42127421       0.05562127       1.25401649       1.03273054
Cl      14.95248568       0.90850599      12.51022042       0.53771487      -1.31025089      -0.42633998
Cl      11.58224897       8.94373584       7.44368847       0.21390535      -0.57119686      -0.31910817
Cl       6.36869123       8.13573444      12.56455061      -0.43488691       0.30730052      -0.27384861
Cl       6.37406489      12.05333449      10.63999984      -0.17162050       1.12883565      -1.32770935
Cl       3.18778226       3.43387707       0.85359314       0.52323334      -2.07206098      -0.07675229
Cl       7.38435953      15.30146105       8.94965623      -0.35629966       0.97697963      -0.24368174
Cl       1.79245874       7.13250053       0.67177916      -0.08024415      -0.38866482      -0.83708395
Cl       2.34188407       5.79194459      10.14371750       0.27246821      -0.23279164      -0.13027045
Cl       4.28233711       2.03849107      11.10279055      -0.39831500       0.42326852      -0.72848616
Cl       0.55573313      10.65666756       2.34580497      -0.55074369       0.82965750      -0.83395240
Cl       3.10677123       9.24206760       3.70366908      -0.03288141      -0.11305630      -0.01189399
Cl       3.24559595      15.58632743       2.78386747      -0.81538053       0.45596438       0.06424730
Cl       0.82641867      14.15948054       9.62759635      -0.02460886       0.10387112       0.44794247
Cl       1.41553409      12.18161496       6.21455783       0.19551162      -0.96554810      -1.58226362
Cl      10.51873324      12.79336848       7.83357550      -0.08656846       1.71811509       0.16469920
Cl       0.54180692       9.40107478      11.81084815      -0.46270773       0.67157952       0.23376466
Cl       6.76787282       1.64797919       2.06671839      -0.04224335      -0.14462152       0.10257047
Cl       8.99452003       6.02726085       4.62333010      -0.16605304      -0.06065739      -0.42306610
Cl       6.05136420       3.50271925       7.38620282      -0.34511946       0.45261645      -0.17073065
Cl      11.19672023       7.91761702      14.35090150       1.19817366       0.42323124       1.01055587
Cl       5.49708071       6.73117885       6.19960844      -0.55652386       0.20585555       0.18408569
Cl       9.78299505       6.87215928      11.61133546       0.07229900      -0.03834549       0.76179986
Cl       6.28130679      12.65209125       1.63398268      -0.09228162       0.32441372       0.50662232
Cl       9.84835374      11.23244568       3.33215246      -0.74531888       0.59062364       0.09094310
Cl      15.59728688      12.80044484      14.16591643       0.12530948      -0.67628822       0.86164601
Cl       9.78344807       5.99523759       7.69414156      -0.33847916      -0.77093666       0.29838761
64
Lattice="15.6531 0.0 0.0 0.0 15.6531 0.0 0.0 0.0 15.6531" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.23113653000001 stress="-0.002730246967288664 0.005239574614319575 -0.0006385588372205514 0.005239574614319575 -0.004756486145825053 -0.0008718972876426583 -0.0006385588372205514 -0.0008718972876426583 -0.0027246063594538756" free_energy=-213.25146058 pbc="T T T" config_type=density 
Li       6.16888671       1.41218668       7.61427831      -0.14655954       0.19197373       0.14264780
Li       8.92602374       1.49410248       2.74857479      -0.21251278       0.18604048       0.00778967
Li       7.33471394       5.14245033       6.17830988       0.59746365       0.13050333       0.19905397
Li       9.87503989       7.03143513       5.79579507      -0.03706171      -0.22173990       0.38417384
Li       9.32700921       6.85280196       9.70598641      -0.26918192       0.90813236       1.30133500
Li       7.78663459      12.62975069       2.89906369      -0.37427300      -0.04078503      -0.36249177
Li       8.64458101      13.72568684       7.67700028      -0.70367953       0.27601236      -0.19455346
Li       6.13485687      13.92775271      10.27903075       0.25216211      -0.47166498      -0.37450325
Li       0.50277601      10.80034159      12.59435904      -0.14180565      -0.54527987      -0.29901706
Li       9.61402445       8.75887994      13.92830056      -0.04560880      -0.49667689      -0.87085752
Li       6.83716451      11.27993692      15.34531309      -0.60478294       0.96267673       0.84397815
Li      12.61968575       1.63471585       3.84332130      -0.34349629       0.27472107       0.27213744
Li      13.75226580       2.42236418      13.95116974       0.43433650      -0.88810057      -0.24689131
Li      12.19028991       6.04076609      14.24937695      -0.62329585       1.25844599      -0.30348480
Li      11.61951527      11.02630974       7.71262674      -0.13659381       0.22670752       0.12157573
Li      13.92080273       7.91298642       7.25674585       0.78706920      -0.50878774       0.29476715
Li      15.20056888      14.49585066      14.33792654       0.11122641      -0.36591518       0.37550332
Li       7.19303774      10.46168677      12.21569489      -0.15304021      -0.35705345      -2.40418941
Li       1.87978078       7.93804703      10.32370470       0.16346846      -0.42949083      -0.82096154
Li      15.18053291      15.53815929      11.01946934      -0.74960481       1.05496529       0.75570698
Li       3.46767820       4.48970041      11.27323740      -0.05119082       0.92271403       0.10102716
Li       1.14362801       0.81888567       3.36408599      -0.06972694       0.10640576      -0.14309461
Li       4.62632066      14.84449216       2.27909136       0.95790821      -0.53399190      -0.25918544
Li       4.48990390       0.42119518      12.43360170      -1.06323145       2.27026094      -0.11323786
Li       4.98559062       8.13198894       4.77619910      -0.15607661      -0.04375434       0.05853951
Li       0.78919173      14.07728677       7.69745888      -0.02580486       0.05469083       0.06573524
Li       1.51791085       8.92117128       1.83546685       0.56938887      -0.57991495       0.53229875
Li       5.18939398       2.41668211       1.62814154      -0.59865259       0.31392115      -0.25454821
Li       0.42724980      11.87697746       0.93230490       0.08044025      -0.19868821       1.03316801
Li       3.08741744       5.48586369       1.07054682       0.18767622       0.17564783       0.23622967
Li       4.18762688       5.52559126       8.07119230       0.28892556      -0.10314484      -0.37669972
Li       1.72562905      11.76419688       4.79279138       0.35274428      -1.24600115      -0.60082026
Cl       7.60382204       8.71444079      10.45567598      -0.69296008       0.33543956      -0.13010382
Cl       5.47150980      14.43866989      12.23452557       0.58056860      -0.78404045       0.64419034
Cl       6.17605583      11.76463516      10.82627878      -0.15633375       0.25107625      -0.50117316
Cl      11.02742111       1.39898799       2.54898211      -0.26623197      -0.15393489      -0.45852148
Cl       0.46170227      14.43915514       9.73896749       0.79124473      -1.00799754      -0.64874147
Cl      14.61877446       1.22410999       3.94467512       1.46520342      -0.31385191      -0.04493723
Cl      15.53006663       7.13710921       8.42440450       0.23340347      -0.05531689      -0.24751397
Cl      12.90015800       4.18200742      14.29663366       0.14522675      -0.58062328       0.25888449
Cl      14.70566482       0.42062697      13.06712961      -0.31300713       0.70541880       0.09233677
Cl      12.28059265       9.13516481       7.32918840      -0.51501506      -0.36446067      -0.41167953
Cl       1.73442609       6.80230505       1.47034734      -1.53725941       1.14505378       0.10226742
Cl       2.87168642       6.03995213       9.89859781       0.44542090      -0.17783368      -0.22941811
Cl       3.22637001       0.65710931       1.78927455      -0.91463237       0.32410946       0.34934618
Cl      10.22189693      12.56062660       7.70149738       0.93288722      -0.19704808       0.18714600
Cl       7.63387599       9.94272390      14.09153109       0.79756695      -1.06615968       1.06874227
Cl       1.08433250      13.45336986       5.73149214      -0.07564872       0.71590373      -0.24383903
Cl       0.35163437       8.93547822      11.19941738      -0.56314666       1.53468045       1.36226198
Cl       0.09683869      12.39154182      14.63650942      -0.04381648      -0.03717125      -1.24742181
Cl       6.81453013       1.13916531       2.15399178       0.15735519      -0.59359818       0.28249468
Cl       9.45866743       4.97853107       5.04425843      -0.28840650      -0.32174249      -0.73489982
Cl       3.22255066       8.98095047       3.86691052       0.32130969       0.07206921       0.20254293
Cl      11.59736614       8.07610737      14.36355066       0.58364874       0.46990076       0.87411273
Cl       8.96221371       6.40089696       7.76002433      -0.33818657      -0.17067068      -0.83809913
Cl       1.17052630      10.86786906       2.70725060      -0.68985172       1.05134769      -0.29153635
Cl       5.59928605       6.54886571       6.15616074      -0.31266776       0.01054797       0.16669160
Cl       9.88533963       7.42903953      11.74160945       0.72186005      -0.55223646       0.69790829
Cl       5.91998677      12.58930308       1.31159360       0.11499349       0.36863960       0.42929371
Cl       9.25725899      11.92210535       4.14769583       0.01783428       0.02702657       0.06596231
Cl       3.72338724       2.51875597      11.37142929       0.24238043      -1.76179791       0.37550174
Cl       7.02810102      15.03124930       8.12807567      -0.63434994       0.42134766       0.26786915
Cl       4.99426243       3.26086945       7.25768504       0.24832844      -0.02872530       0.06509655
Cl       4.22245503       4.05601562       0.43985837       1.26565216      -1.54818173      -0.56589540
64
Lattice="15.6844 0.0 0.0 0.0 15.6844 0.0 0.0 0.0 15.6844" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.87666097 stress="-0.004747585760053053 0.004531330270176416 0.00023070360982763383 0.004531330270176416 -0.003914608501070446 0.0006069598366217778 0.00023070360982763383 0.0006069598366217778 -0.0009919787739796236" free_energy=-214.87666097 pbc="T T T" config_type=density 
Li       6.17195256       1.44099954       7.70118156       0.53517537      -1.50754738       0.42961561
Li       5.68528131       2.37541806       1.43008634      -2.79652960       1.79746499      -0.75709324
Li       7.70938450       4.70717076       6.52903929      -0.50871091      -0.18478194       1.26554624
Li      10.13924312       6.82494118       6.43723850      -0.25768400      -0.48837107       0.16451821
Li       9.42323457       7.41180438      10.39067973      -0.24204786       0.13636570      -0.88487882
Li       7.47524778      12.37895975       3.34733328       0.38377030      -0.25762436       1.04336563
Li       8.56325892      13.33608458       7.85455931      -0.14229208      -0.56043434      -0.49523938
Li       5.28772883      13.43117910       9.67841976       0.45544001       0.07766948       0.24871449
Li       9.30221374       1.63313815       2.64246066      -0.77017068       0.14037082      -0.12678165
Li       9.68161938       8.97050437      13.86587224      -0.37742968       0.00992314      -0.43205582
Li       7.04082127      12.29652255      15.67975742       0.55690572      -0.77189822      -0.95913838
Li      13.37747571       1.44021219       3.66662061      -3.02581036       0.76515994      -0.01737286
Li      13.99263356       8.13242414       7.17627174       0.69177749      -0.49670018       0.41544014
Li      13.11526391       2.40948458      13.58152975       0.03456467      -0.59060302      -0.33227198
Li      11.83856944       6.13870163      14.70410932      -0.21184395      -0.26025854      -0.38839290
Li      11.33922519      10.83459531       6.78827106      -0.46409491       0.37527293       0.07365096
Li      14.52606001      14.35324929      14.04956793      -0.52701421       0.33771008       0.17734655
Li       7.38920316      10.30290983      11.44848272      -2.12536216       1.66891031      -0.02757227
Li       0.75892577      10.78962813      12.77630834       0.13115703      -0.38052534      -0.34375417
Li      14.74358695      15.56508877      11.05024012      -0.11174738       0.35687710      -0.20668845
Li       2.99479502       4.50371272      11.25793295      -0.00358631       0.82115908      -0.62700677
Li       1.80579203       1.14641358       3.12433248      -0.92594182       0.19607426       0.28084780
Li       3.97651299       0.88931332      12.33537281       0.26306829      -0.27745721      -0.12708596
Li       5.12704215      14.85866339       1.98235132      -0.85069894       2.14985192       0.36110444
Li       0.62908560      14.49599301       7.69904848      -0.32767640       0.20436302       0.92527971
Li       4.54416279       7.10395098       5.32127776       0.01342826       0.03114092      -0.15393286
Li       1.39653898      12.26945127       4.42309491       0.12055977      -0.55178838      -0.19975918
Li       2.40524979       8.91538939       2.77345677       0.03239406      -1.30647067       0.36913840
Li       0.62192567      11.89015543       0.76072791       0.05188375      -0.23614141       0.33895226
Li       1.74829301       8.22447588       9.37251122      -0.30098760      -0.47660120       0.29618531
Li       2.85001232       5.20042945       0.99617898      -0.16963615       0.32905774      -0.11531875
Li       4.72881523       5.75688060       8.30890501       0.50551081      -0.43296408      -0.25105921
Cl       0.07780011       7.07256649       8.18181431      -0.35652328       0.67846807      -0.19505278
Cl       8.89696022       9.21452226      11.63553488       2.52623642      -1.51066879      -0.04152397
Cl      11.22596814       1.83356910       3.22715941       1.00978421      -0.10426547       0.17307508
Cl      15.61247166      14.17681547       9.80662405       0.34670055      -0.34037462      -0.37747425
Cl       2.99805738       6.13948585       9.58947353       0.14768584      -0.14004928       0.35474724
Cl       3.76737720       0.81424465       2.47906058       0.34014897      -0.38151823      -0.05938399
Cl      13.87970588       0.28197257      12.97550022      -0.46766676       0.88320783      -0.09160935
Cl       9.70111509       5.87275695      11.63859334       0.44104688      -0.97738321       1.27576330
Cl       1.76054253       6.62937240       1.94688889      -0.30161019       1.17039624       0.38757838
Cl      12.25111621       8.92889365       6.22529520      -0.36389126      -0.16278779      -0.16977641
Cl      10.54338305      12.73769335       7.57694543       1.24103100      -0.17338881       0.26060936
Cl      15.19473303       1.03226408       3.65783735       3.33580499      -0.72961173      -0.16950189
Cl      12.76089058       4.22280512      14.34562667       0.13019710       0.33493588       0.39028236
Cl       7.04673429      14.53198871       8.62240479      -0.79193652       1.12003406      -0.25329734
Cl       6.05314323      11.41810204      10.18475925      -0.35850213      -0.04761364      -0.15294013
Cl       1.14083620      13.75112517       5.87799553       0.26225847      -0.00022285      -0.65379052
Cl       1.55090955       8.98095018      11.70870260      -0.22014991       0.61292538       0.04984997
Cl      15.63629563      12.78559351      14.58424913       0.90457811      -1.34925380      -0.00905222
Cl       4.92800711      15.01164903      11.29493245      -0.25060979      -0.22774172       0.07860128
Cl       7.20205690       1.40739415       1.91348112       2.43291084      -1.88195606       0.72331844
Cl       2.94771045       8.47161497       4.98850184      -0.16799895       0.48834967      -0.24426738
Cl      11.29992009       8.12456625      15.00885721       0.18711981       0.54356802       0.38974630
Cl       9.09577567       6.12209185       8.30134513       0.00593690       0.77817601       0.23447838
Cl       1.56018059      10.91722073       2.54209618      -0.28070523       0.87026511      -0.18957090
Cl       5.99572264       5.96631439       6.37999044      -0.74587306       1.33611867      -0.36448950
Cl       5.67518056       3.36527623       7.71537594      -0.36273164       0.30369662       0.37467028
Cl       9.38438431       4.80896252       5.47321254       1.44288914      -0.06716410      -1.60843021
Cl       6.12819308      13.22510176       1.74816754       0.94203707      -1.83862838      -0.19471644
Cl       8.28868781      11.88678328       5.39635898      -0.50004638       0.16605300      -0.87724625
Cl       3.25810473       2.82910502      12.43062417      -0.35522830       0.04216910       0.43721394
Cl       8.14716747      10.68325653      14.33469464      -0.61679895       0.88372789       0.86973090
Cl       3.99641649       3.62025752       0.54450120       0.80753551      -0.89666713      -0.29184477
64
Lattice="15.7159 0.0 0.0 0.0 15.7159 0.0 0.0 0.0 15.7159" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.34714744 stress="-0.0021104789922047527 0.003123078682487289 -0.0006972455193124736 0.003123078682487289 -0.0050079553126880835 7.10606424547323e-06 -0.0006972455193124736 7.10606424547323e-06 -0.0019884460106584525" free_energy=-214.35725384 pbc="T T T" config_type=density 
Li      13.88891091      15.13276153      10.62984186      -0.03775521      -0.22775178      -0.82204791
Li      10.05607007       9.52092796      14.48059883       0.07393305      -0.68152754      -0.41770633
Li      11.74438206       5.86694978      13.71411867      -0.73730024      -0.20542074      -0.73872120
Li       8.33761498       4.31745633       7.36651381      -0.00397662       0.29507955       0.11882325
Li       7.38540432       0.84865074       8.68597362      -0.29068443       0.76490525      -0.04585340
Li      13.05848275       1.90478280      13.14881775      -1.42896395       2.34687941       0.73844500
Li       8.61834811       7.01919242      10.34648419       0.30129559       0.11429465       0.37218627
Li       0.27714675      10.80222957      12.68114399       0.17121469       0.75451649       0.45832774
Li      10.71260179       6.49643444       6.28544848      -0.25200996      -0.16732193       0.84623270
Li      13.64545590       1.47810240       2.65278106      -0.03544791       0.33182115       0.25053253
Li       8.41765606      12.64902069       3.46743045       0.30452395      -0.31740078       0.28841706
Li       5.89206378      15.06224429       2.76961306      -0.83024257       1.30834591       0.26573264
Li       7.89716117      12.52066894       0.24017981       0.02787337      -0.14339338      -0.29017082
Li       9.30422141      13.27116603       8.16925055      -0.95998901       0.49064301       0.26061037
Li       5.58046464      13.88611348       9.57205178       0.15266137      -0.12236219       0.59823437
Li       5.31956498       7.73761335       5.44686377       0.72899166      -0.88047484       0.89759578
Li       1.42512724       8.11433919       9.94838472      -0.38524952       0.10046317      -0.23288565
Li       9.19081548       1.35362933       2.38696232       0.24956949       0.49609556       0.11175385
Li       4.70785500       5.31389154       8.17852293      -0.82538122      -0.37902852       0.94311222
Li       1.90825601       1.52565085       3.28424592       0.64960199      -0.03780894      -0.09229802
Li       3.08697994       5.77106707       1.60970106       0.04674327      -0.16473756       0.34262788
Li      14.52081582      14.49705338      13.80008464       0.19056219      -0.56964254       0.37343483
Li       5.15380938       2.62389523       1.95028033       0.82664949      -1.34980040       0.43664880
Li      15.33037326      13.58438391       7.08188314      -0.19861411       0.00987719       0.09419504
Li      13.87116766       8.49106503       7.36989273       0.99629515      -0.22766706       0.58228331
Li      10.50733642      10.50464900       6.27333152      -0.21020218       0.19504343       0.12388062
Li       2.77176614       5.02704493      11.55536693       0.08063536       0.28177443      -0.42335981
Li       7.37665056      11.34150496      12.47602007       0.13044597      -0.97865952      -0.88574327
Li       0.94716586      12.00807914       3.67113994       0.08198604       0.85267301       1.23186079
Li       0.18194612      11.36344436       0.29389519      -0.37170506       0.28087676      -1.10090347
Li       2.10270884       9.17274219       2.86662731       1.11851514      -1.30612488       0.24652253
Li       3.14706183       0.94858186      11.94835872       0.53700953      -1.34657673      -0.53372683
Cl      15.66058003       7.82224348       8.24355532       0.29149016      -0.07096036      -0.16726722
Cl      14.61047503      13.95037579       9.00000874      -0.23485480       0.14953922       0.68940503
Cl      15.60230547       1.98105206       3.55061471      -0.50440632      -0.09249356      -0.10236641
Cl      12.44161796       3.81171867      13.81509333       0.34642994      -0.52044006       0.19638880
Cl      10.79900781      11.94061079       7.86715952       1.04739502      -0.14275476       0.41782139
Cl      12.03237593       8.91779886       6.73371309      -1.43469876      -0.26273968      -0.94388860
Cl      11.50850212       1.79033961       2.44119789      -0.49278540      -0.44248434      -0.18591803
Cl      14.06756926       0.38747866      12.54040811       1.19896146      -1.38438232      -0.62284209
Cl       6.22374785      11.98541682      10.69867750      -0.36691169       0.33066084       0.09409365
Cl       7.97713939       8.99879861      11.55695424      -0.07317332       0.48044868       0.22002774
Cl      11.18340301       7.84638310      14.16437920       0.65180975       0.50182466       0.62802763
Cl       3.80213197       3.90725563       1.57721629      -1.36260222       0.48610119      -0.48271469
Cl       8.75353628      12.04083108       5.35929477       0.06121523      -0.38886620       0.33550361
Cl       3.92059843       0.62338375       2.81943246      -0.36036297      -0.50818498       0.02199529
Cl       2.48649112       7.58595492       1.16388969      -0.67977007       1.76998427      -0.20361576
Cl       2.88385193       6.42664012       9.71181328       0.48255292      -0.55501492       0.25358032
Cl       3.03217860       2.91184195      11.83632007      -0.30961147       1.34855192       0.25412417
Cl       0.81131605      10.69569148       2.11025247      -0.27787672      -0.23987944      -0.11385543
Cl       3.85421446       8.81639988       4.54497542      -0.95727250       0.70179560      -0.72256074
Cl       0.89594460      13.18376991       5.50828151       0.39429060      -0.18708392      -0.83238750
Cl       4.26531098      15.62360052      10.28347914      -0.14759667      -0.20770624       0.11543684
Cl       0.11205562       9.40778919      11.35302472       0.09214951      -1.03682142      -0.76132414
Cl       6.88849899       1.57382166       2.37965443       1.65833486      -0.71611865       0.14005434
Cl       9.97439454       4.48921540       5.78472419       0.11963230      -0.34941602      -0.97272753
Cl       9.54651344       5.88235136       8.53506955       0.02058689       0.64114665       0.01241605
Cl       6.19162455       6.06467151       7.05417601       0.46425138       0.99609627      -1.25072604
Cl       6.69572776       2.80676544       8.14974712      -0.04512552       0.10342348      -0.12901319
Cl      15.33942562      12.43856908      14.00552289       0.01380003       0.16130751       0.63990472
Cl       7.40181172      13.78108412       2.07489170       0.30356183      -0.31538441      -1.16408446
Cl       7.84707460      14.68075653       9.42276645       0.50815350      -0.63889794      -0.24812905
Cl       8.73444146      11.11782056      14.41451347      -0.77212461       1.36261657       0.55551126
Cl       9.58669900       5.88612317      12.02733112       0.26357235      -0.49145730       0.33108915
64
Lattice="15.7398 0.0 0.0 0.0 15.7398 0.0 0.0 0.0 15.7398" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.71429383 stress="-0.0004932261273450733 0.002755396972273683 0.0007292407121860308 0.002755396972273683 -0.0026563247364544246 -0.00041562565659427703 0.0007292407121860308 -0.00041562565659427703 -0.001895486889880849" free_energy=-214.71540689 pbc="T T T" config_type=density 
Li       9.29240016       2.13889716       2.37308965      -0.17349665       0.01296921       0.17736253
Li       9.46516021       9.45322944      14.20532690       0.02226213      -1.19680497      -0.59707547
Li      11.89791944       6.18829125      13.85266094      -0.69150220       0.31054217      -0.80407626
Li       5.53943373       2.69935996       2.27034023      -1.09820466       0.26175490      -0.31940542
Li       7.68854602       4.45976215       7.03979869       0.37893934       0.35967275       0.57496036
Li       6.88913732       1.01533830       8.45806485      -0.27961970       0.17562371       0.24895694
Li      12.61716534       2.24660461      12.58689770       0.02204528      -0.23798706      -0.05752239
Li      10.41135829       6.53623527       6.38280370      -0.24337756      -0.37633978       0.65704110
Li       8.23060900       7.43217616      11.18391489       0.88441543      -0.35068083      -0.06294835
Li      13.49550914       1.96026617       2.41066055      -0.11078472       0.13713928      -0.00144849
Li       9.10534838      13.07048732       4.31528653       0.16824133      -0.07821159       0.40506002
Li       5.92477552      14.82103639       3.11103443      -0.19898147       0.62634279      -0.09801128
Li       8.14808523      12.46886494       0.91304219      -0.02180554       0.10805360       0.28868326
Li       9.07955085      13.63713586       8.76505391       2.12833689      -1.48955064      -0.08096134
Li       6.15388404      13.49785437       9.95405414      -1.24012396      -0.06423121       0.79107331
Li       5.32198840       8.27611276       6.02636019       0.21242739      -0.69239048       0.24774840
Li       0.16547724      11.49568885      15.57575980      -0.10320303      -0.03549106      -0.32932489
Li       0.23929375      10.73306406      12.00079477      -0.71683416       0.25406988      -0.02569904
Li       6.94106292      11.78021721      13.10240763       0.28032580      -0.67831321       0.22398738
Li       2.38029847       7.83964810       9.81733823      -1.13166045       1.37049747      -0.20151283
Li       2.19031909       0.96453967       2.45876138      -1.04553974       0.95224899      -0.16365528
Li       2.85696258       5.41014702       1.87870253       1.59120095      -3.25803688      -0.48392085
Li      14.03155951      13.83383614      13.24902387      -0.28186780       0.41230287      -0.22010456
Li      14.16611906      15.34129974      10.31485757      -1.60884478       2.02509895       1.65691110
Li      15.32897548      13.59474858       7.27114227       0.02976253      -0.32187019      -0.54250905
Li       4.75263261       5.32467990       8.61626558       0.50676745      -0.37159476      -0.12789200
Li      14.28574154       7.40187705       6.81843414       0.29678270       0.31658677       0.65845858
Li       3.57762506       1.23009055      11.76504405       0.09298687       0.12380675       0.03090692
Li       2.53977413       4.68616343      11.70488653      -0.02991548       0.21005435      -0.02010105
Li       0.24960962      12.00938870       3.50882639      -0.05265389       0.35955246       0.67039175
Li       2.23683020       9.09091498       2.05527160       0.45272605       0.21688734       0.46364215
Li      11.50195329      10.19543971       5.79882564      -0.04423381       0.06644329       0.37121364
Cl      15.58501481       1.54852560       2.45038780       0.56821275      -0.31701119       0.00197968
Cl      13.31604394       0.00794671      12.25719611      -0.09760950       0.01857702       0.44222436
Cl      12.35182379       4.08888524      13.43437575       0.28647853      -0.28421037       0.29386692
Cl      10.67421295      12.20646674       8.86948748      -0.00583823       0.28484219       0.10479921
Cl      12.13311927       8.18834763       6.32348039       0.19125837      -0.45405348      -0.12357040
Cl      11.39969181       2.51386642       2.18830439      -0.01791115      -0.12417404      -0.06129076
Cl       6.16402048      11.76520144      11.17234614      -0.16002340      -0.11997068      -0.27322021
Cl      10.49706150       6.77488211      11.89713245      -0.05861242      -0.24411635      -0.17673318
Cl       7.42650983       8.53992755      13.01500452       0.01473519       0.39915911       0.11468319
Cl      15.04616275      14.22012231       9.17907360       1.59731609      -1.79374244      -1.07061723
Cl       3.41796053       3.25473880       1.46442942       0.28372021       0.11364857       0.29931105
Cl       7.90471644      13.85623387       2.83369915      -0.26024575      -0.22905279      -0.98253516
Cl      10.45615376      12.00926278       5.41186265       0.26875894      -0.04003072      -0.09392587
Cl       4.00492915       0.00250735       2.50152641       0.68729133      -0.84355761       0.12796501
Cl       2.00425891       7.00971993       2.10382889      -1.80605543       2.66524358       0.30224505
Cl       3.07352649       5.91594549       9.98636795       0.42449516      -0.91408760       0.00829296
Cl       0.27501208       7.93081303       8.31538356      -0.15280327      -0.23270200      -0.46532857
Cl       2.81199397       2.97985894      12.88485212      -0.03130690      -0.42935912       0.14210298
Cl       0.72468872      10.85756588       1.78794684       0.24870132      -0.33801462      -0.14947064
Cl       4.46431095       9.02878999       4.25029689      -0.28840691       0.33100005      -0.38751522
Cl      15.72082221      13.28780674       5.23049294       0.06384830      -0.11597148      -0.57778755
Cl       4.58874981      15.44179837      10.66646897       0.14360475      -0.21599565      -0.14159823
Cl       1.68963605       9.68498226      11.17667458       1.06333805      -0.73440009      -0.38740421
Cl       7.11930042       1.42165651       2.71417111       0.90361413      -0.24046958       0.17690283
Cl       9.94383901       4.32255831       6.21065750      -0.28716516       0.15502523      -0.28242588
Cl       8.60184792       6.32669131       9.03773020      -0.05040202       0.06421971      -0.21626195
Cl       6.03884185       2.94093441       8.08880914      -0.03961686       0.18743237      -0.10998184
Cl       6.08006438       6.18462387       7.08681347      -0.74676906       0.77732008      -0.80328327
Cl      15.07077980      11.97644530      13.58941278      -0.02356040       0.05873939       0.32752922
Cl       7.44369770      14.66655026       8.88683274      -0.70629519       1.61302359      -0.78030962
Cl       8.28900365      11.22198947      14.90869134      -0.17188286       0.80049076       0.28257510
Cl      11.30171155       8.13735068      14.57395301       0.16456085       1.05405327       1.12855333
64
Lattice="15.7557 0.0 0.0 0.0 15.7557 0.0 0.0 0.0 15.7557" Properties=species:S:1:pos:R:3:forces:R:3 energy=-212.46225803 stress="-0.0026600318059016334 0.004613179498468438 0.00031120677553704074 0.004613179498468438 -0.006109755568092234 -0.0010522416493371415 0.00031120677553704074 -0.0010522416493371415 -0.0022501649650834804" free_energy=-212.48047369 pbc="T T T" config_type=density 
Li       9.76817162       9.20777288      14.41985298      -1.26512833       0.06644738      -0.68904083
Li      15.52607643      11.76386736      15.60428772       0.01774151      -0.06335864       0.01716478
Li       8.62363030       7.28423825      10.66271724      -0.01076669       0.11638469       0.30498975
Li      10.84559365       6.72396555       6.28398763      -0.34354483      -0.40801190       0.60139095
Li      13.49348084       1.70304937       2.48930607      -0.14426801       0.09642426      -0.11208036
Li       8.12157492      12.17038018       1.00564222       0.02099805      -1.15900786      -1.36499845
Li      14.29566655       6.93523374       6.68714448       1.00665755      -0.46827397       0.48746018
Li       6.22572305       1.50672704       8.67299291       0.31529520      -0.68897243       0.10752345
Li      12.98794345       2.30649268      13.18443278      -0.31932659       0.89477685       0.19457932
Li       7.45991430       5.03470242       7.35499710       0.37900405       0.59292068       0.31424692
Li       5.61301539       2.17290010       2.18318857      -0.18672509      -0.03156877       0.08239320
Li       6.86039416      11.17216205      13.42779532      -0.20620671      -0.52464155      -1.16062437
Li       9.67521299       1.31939492       2.52886863      -1.13938084       0.21309739      -0.28883538
Li      11.65844597       6.10456172      13.59390767      -1.26984701      -0.17124189      -0.61955931
Li      15.66131406      11.37125107      11.91097833       0.24983590      -0.48063948      -0.51181247
Li       9.00216100      14.35889417       8.88712863       0.98982951      -0.68528788      -0.04777963
Li      11.95547243      10.31527255       5.75877137       0.60890025      -1.00390155       1.04485185
Li       2.12221401       8.12042476      10.38150951      -0.61155078       0.84898722      -0.64624045
Li       1.77962207       1.24370296       2.40321692       0.83301181       0.15722846       0.26221662
Li       2.86805734       5.36883355       2.30641390       0.26295250       0.00357298       0.20753045
Li       5.75781028       7.97468453       5.60009572      -0.40994835       0.26739805      -0.24436996
Li       4.48736516       5.08742100       9.17000647       0.18373769       0.64235231      -0.39773243
Li      13.97904000      14.41298349      13.15983814      -0.02305995      -0.31178888       0.30724448
Li       6.08409507      14.82768927       2.85759555       0.35384160       0.20903047      -0.11554180
Li       2.17543677       5.04366742      11.73202509      -0.08460215       0.08672966      -0.04875498
Li       0.29746762      13.56178180       7.15201641       0.33932797      -0.72141067      -1.12538082
Li       0.72819537      11.84779797       3.49314898       0.25144111      -0.16053980       0.22815663
Li       5.47820962      13.59705881      10.25617292       1.06357991      -1.28715924      -0.40342262
Li      14.32620109      15.51180176      10.24155163      -0.05438522       0.17482002      -0.44730412
Li       0.91902998       8.66538291       1.62827282      -1.51501772       2.62990811       0.11877834
Li       3.96259006       1.25737576      11.50087321      -0.44720877       1.50641623       0.46472031
Li       9.58225436      12.90278389       3.91982909      -0.23576683       0.44992213       0.27735856
Cl       8.20730169       8.68235180      12.44656184      -0.27820988       0.91248651       0.33386713
Cl       6.11726081      11.79936495      11.50733305      -0.29030625       0.44984713      -0.25507838
Cl       4.07952887       3.59603370       2.40748672      -0.68801383       0.41603269      -0.03669680
Cl      15.50538919       1.92599252       2.60414936       0.95957891       0.01307062      -0.14273962
Cl      10.91595861      11.66247943       4.74779113       0.10610214       0.23904020      -0.60468740
Cl      12.66232040       8.27418463       6.59092442      -0.77120687       0.44622673      -0.38299835
Cl      15.56305506      14.47663652       8.80847618      -0.41392358       0.73529722       1.70717863
Cl      14.91439289      12.44942938      13.65978225      -0.25476191       0.42614930      -0.05462010
Cl      11.33959787       8.02760793      13.96846793       1.23244805       1.18766305       0.61613571
Cl      11.58552859       1.49648741       3.16199568       0.08142579      -0.23118087       0.42694333
Cl      12.61491149       4.37794182      13.27901425       1.08733304      -1.47674328      -0.01417830
Cl       9.40278118       5.82496107      12.06729063       0.61770816      -0.89527574       0.54873345
Cl      10.30394420      12.78460038       8.27404283       0.21453794       0.17117198       0.01528554
Cl       1.84557543       7.11032683       1.62441267       1.45196767      -2.81046872      -0.26277510
Cl       3.17986264       6.45307780      10.42212770       0.76824199      -1.13185441       0.18858385
Cl       0.46185629       6.45882864       7.69253146      -0.38932304       0.11128256      -0.11797228
Cl       3.34537627       3.35465638      12.22514699       0.10104377      -0.80002543      -0.02120890
Cl       0.18026569      10.75643215       1.67955762      -0.14496057       0.04184119       0.01738472
Cl       4.43919999       9.00246035       4.19183550       0.11450447       0.12056175      -0.15451013
Cl       4.36729097       0.38128794       2.91059773      -0.70907634      -0.47291088      -0.01181024
Cl       0.60326370      13.20083447       5.08327725       0.00817653       0.18781787      -0.22271954
Cl       1.12786863       9.84049028      11.03752959      -0.38522852       0.67644733       0.33342956
Cl       4.60698244      15.18206647      11.08460762      -0.61649222       0.33287558       0.37904262
Cl       7.55922248       1.45988535       1.80587107       0.77581035      -0.60168401       0.00037797
Cl      10.14676533       4.62918222       6.24823795      -0.01860350       0.05631423      -0.58060724
Cl       8.82078138       6.32386531       8.70420495      -0.10258521       0.25486119      -0.58596172
Cl       5.93558184       3.57447990       8.48546857      -0.02940618      -0.16089747      -0.03692047
Cl       5.42382095       6.78787067       7.31879050       0.07665256      -0.67299445       0.38210026
Cl       7.98062443      13.36842785       2.60366094      -0.61968969       1.07576794       0.71705401
Cl       7.14714790      15.16799663       8.76355668      -1.21034321       0.56853130      -0.12604790
Cl       8.16250823      10.76616917      14.99348650       0.54280189       0.59057448       1.53893559
Cl      13.50963043       0.50465507      12.20338837       0.17437679      -0.55043796      -0.39064774
64
Lattice="15.7692 0.0 0.0 0.0 15.7692 0.0 0.0 0.0 15.7692" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.85786975 stress="-0.00199058256661337 0.0032416418905218372 0.0005176269764727302 0.0032416418905218372 -0.0031444446789421036 -0.00024546833657054947 0.0005176269764727302 -0.00024546833657054947 -0.0012871391101502208" free_energy=-213.8631802 pbc="T T T" config_type=density 
Li      15.47291250      11.18753779      12.43267382       0.40327276      -0.70579897      -1.25703441
Li       9.58023054       8.98863323      14.39904575      -0.45690069      -0.08491482      -0.55889672
Li       5.70711002       2.30703396       3.19278992       0.38347058      -0.77157890       0.07440417
Li       7.38413290       4.82939635       7.15346104       0.20689733       0.03335931       0.50969020
Li      13.65593797       2.49793590      12.55398627      -0.44994440       1.53491735       0.42463902
Li       6.30209770       1.34379445       9.31324221       0.41522771       0.36033215      -0.38092678
Li      10.48230762       6.22052363       6.19071984      -0.02036342      -0.08560302       0.45701068
Li      14.48881981       7.37859791       6.72466496       0.10602765      -0.26415801       0.18177983
Li       9.61747739       1.52240430       2.57354921      -0.37826227       0.07455807       0.23814592
Li       8.58681825       7.83167856       9.69897261       0.36536767      -0.38866674       0.36331335
Li      15.16008311      11.57093435       0.01261536       0.01675868      -0.18401322       0.66101875
Li       8.93829794      12.29696408       4.10242046       0.30778027      -0.28582693       0.69903982
Li       6.30909923      14.69433979       2.84447983      -1.08108774       1.55793675       0.19373688
Li       8.04013162      12.08392219       0.69219850      -0.18292332       0.23387181       0.44619958
Li       9.05265618      14.16714390       8.32733606      -0.01610766      -0.02201328      -0.17338941
Li       5.54498687      14.05571873      10.59130433       0.77826046      -1.21851701      -0.13121372
Li       5.86156933       8.00021977       5.51507270      -0.62322301      -0.05378176       0.36993276
Li      13.50534211       1.50505345       2.96363191       0.31307474       0.13993515       0.17002981
Li      11.88657065       5.99846176      13.77427005      -0.64137277      -0.16742058      -0.95506216
Li       7.33915914      10.76140669      12.32465480      -0.18179681       0.10340832      -0.08477358
Li       0.61951510      14.19046654       6.92107034       0.86682142      -0.95087857      -3.10327564
Li       1.48667287       8.25973350      10.54521096      -0.45910277       0.69620814      -0.48211427
Li       0.40503348       8.25695812       1.53798900      -0.83163857       0.71642362       0.16559778
Li      11.98651584      10.52874792       5.94281225       1.05037191      -1.10697174       0.85479686
Li       0.87719802      11.30615371       3.59387953       0.54489576       0.46693139       0.84360366
Li      15.04689179      15.72050471      10.22159544       0.17182004       0.02082251      -0.86634079
Li       2.25311907       1.47993469       3.00092607      -0.16151062      -0.48713402       0.01164543
Li       3.56647266       1.61615377      11.80956965      -0.08378712       0.22034234      -0.10136689
Li       1.85810061       5.09340429      12.03983151       0.18782007       0.04137945      -0.29429137
Li       3.15079654       5.02159136       2.21164607      -0.48190958       0.80772432      -0.06808375
Li       4.15676112       5.93566880       8.84663158       0.03210666      -0.21752724       0.00069831
Li      14.48371059      14.59439460      13.18828657      -0.07366189      -0.03884709       0.25008823
Cl       7.60521708       8.91652068      11.33045405      -0.61317903       0.46817285       0.25909296
Cl       5.82071133      11.86465146      11.14179134      -0.29958378       0.82647054       0.08756235
Cl      11.53466519       1.91031243       2.28864707       1.10738789       0.12895286      -0.47459266
Cl       0.15769200      14.59038922       8.67701807      -0.63965756       0.58321123       2.83745784
Cl      14.90564707      12.57505392      13.96790005      -0.18257521       0.48289860      -0.21853404
Cl      14.21126612       0.60162336      12.02907691       0.03926046      -0.78599278       0.19365569
Cl      15.69054323       1.48868344       2.91783815       0.36399868      -0.10997450      -0.04584971
Cl      12.58126699       8.27321616       5.96015837      -0.07376235       0.14142887      -0.06949505
Cl      10.47790802      11.54403209       5.23048595      -0.87722486       0.45118670      -1.07605353
Cl      11.22621963       7.68174501      14.60109651       0.09575536       1.27732158       1.12039096
Cl      13.00258848       4.32599617      13.54426050       0.92283527      -1.20104863      -0.15788493
Cl       3.78825069       3.10063472       2.90804548      -0.55641006       1.14784650      -0.06178111
Cl      10.59699702      12.94652897       8.03357163       1.00009219      -0.47265538       0.20630355
Cl       1.84438140       6.92282072       1.53458127       1.15528066      -1.29108937      -0.05550077
Cl       4.31645581       0.08634473       2.79277263       0.11045270      -0.50575399       0.00388504
Cl       2.77627804       6.63009706      10.58444473       0.32357423      -0.79997836       0.46677301
Cl       0.33534623       6.15069761       7.50893035      -0.08600203       0.27166681       0.09584776
Cl       1.87456365       2.99692069      12.65060416       0.20204619      -0.35126342      -0.13653641
Cl      15.66044282      10.48651800       1.80109495      -0.15124388      -0.23531819      -0.15101443
Cl       4.34144999       9.25164772       4.51981541       0.33098255      -0.13039599      -0.08831566
Cl       1.33259202      12.91536903       5.16597415      -0.32444858      -0.14119201      -0.23193598
Cl       0.55947702      10.27040111      10.49829759      -0.28162089       0.19422597       0.78596950
Cl       4.89893852       0.25640719      10.59297587      -1.39087461       0.90923089       0.79055747
Cl       7.64995430       1.24562961       3.05504596      -0.84917986      -0.40274345       0.13023555
Cl      10.23127773       4.06239823       5.99281638      -0.19623622      -0.05050894      -0.38879209
Cl       8.86022463       6.53434648       7.86152966      -0.09189189       0.32556122      -0.53600530
Cl       6.00935827       3.39816798       8.58566709      -0.08391644      -0.05747666       0.08348626
Cl       5.37841681       6.22107555       7.11056882       0.25653725       0.55187038      -0.90138146
Cl       9.74850367       6.82339592      11.39137047       0.88035490      -0.60465120       0.24201088
Cl       7.68573462      15.37843922       9.21684509      -0.55598819       0.29142964       0.37992487
Cl       8.12099608      10.75629747      14.83290375       0.15313192      -0.16664499      -0.34227422
Cl       7.66588120      13.18532196       2.77190998       0.28572411      -0.71928558      -1.20580791
64
Lattice="15.7874 0.0 0.0 0.0 15.7874 0.0 0.0 0.0 15.7874" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.73882736000002 stress="-0.0018973004477385019 0.00406584945469203 -0.0009716835521059177 0.00406584945469203 -0.006396650036550078 -0.00047577476796495773 -0.0009716835521059177 -0.00047577476796495773 -0.002613353063352852" free_energy=-213.74907522 pbc="T T T" config_type=density 
Li       9.81548441       2.49759825       3.09734579      -0.27036065       0.24741135       0.43080178
Li       5.50745028       2.05671932       2.88683660       0.78036053      -0.15311329       0.09932130
Li       7.08934776       4.60594238       7.02397213       0.49919626       0.28999518      -0.08612689
Li      13.28945442       2.04603125      13.21359597      -0.58570009       0.84651731       0.22136914
Li       6.30490343       1.62187118       9.24800632       0.19177742       0.32202373       0.20895178
Li      14.46754179       8.62543020       7.30700864       1.50820069      -0.73747496       0.65301750
Li      13.97795872       2.06426570       3.03536446      -0.77973925       0.38770392       0.12851699
Li       9.94961416       5.61242070       5.62093011       0.61031701      -0.09664020      -0.37486543
Li       6.29795697      14.96961268      11.50950401       0.37903348       0.14466776      -0.10348502
Li      15.49015483      10.95345599      12.63621917       0.07148573      -0.75881724      -0.89213658
Li       8.41125833      11.92390747       3.87241241      -0.45091798      -0.37661048       0.18387551
Li       5.38763970      14.09879548       2.73691945      -0.09550672       0.40067663       0.23372206
Li       7.25565223      11.53015393       0.69833827       0.28539163      -0.86361010      -0.83591495
Li       9.05868382      14.54398438       8.43868105       0.62771079      -0.98411906      -0.51715203
Li       7.56952153      11.25805809      11.36743320       0.59961979      -1.80907194       0.09675172
Li       6.12527439       8.51812324       5.80951060       0.19312573      -0.63486372       0.24209355
Li       8.87365549       7.60025960       9.20815892       0.17005693      -0.06762835       0.02013984
Li       1.30953957       7.89969921      10.71021952      -0.96978659       0.44892461      -0.33319418
Li       9.78839324       9.01618414      14.07394612      -1.21550626       1.09765712      -0.33300724
Li      11.56670176       5.58736610      13.51928739      -0.60823871       1.52161968      -0.71075781
Li       2.07506428       0.41160120       3.08744709      -1.59521243       1.01042315       0.04291052
Li       2.56063734       5.03150753       2.50261865       0.22036904      -0.32913225       0.11965437
Li       1.83302765       8.75864428       1.88583650       0.05629495      -0.35520831       0.07681667
Li       0.65540917      12.06018431       3.53806685      -0.04353335      -0.42978237      -0.69851797
Li       0.10482834      11.76442316      15.63911369      -0.38047251       0.32306186      -0.16071046
Li      11.17967365      10.10335187       5.84615316       1.14154824      -1.65036445       1.10781820
Li       3.72017451       2.15450648      12.41431148       0.42579537      -0.23756248       0.04899072
Li       2.74051898       4.77139433      10.99890792       0.07667616      -1.06505771       0.63064262
Li       0.26577930      12.97005953       7.37472080      -0.40797342       0.02197889       0.52228401
Li       4.09438325       5.99772798       8.32758511       0.55923878      -0.30789725      -0.38596931
Li      15.31969828      15.25187560      10.45376900      -0.50532352       0.91602234       0.16216114
Li      14.89353320      14.52560784      13.38353154      -0.18013479       0.67870279       0.05334206
Cl      15.14147432      12.53715324      13.89584846      -0.38090374       0.45822539       0.10403570
Cl       8.29732067       9.23854967      10.67356118      -0.37396174       0.71091358       0.28609892
Cl       7.03549694      13.13189617      10.98495186      -0.22124886       0.57409145      -0.33796482
Cl      12.58658359       8.55228718       6.70692957      -1.39721519       0.33666823      -0.67860544
Cl      11.99897656       3.06837591       3.02762864       0.18371421      -0.19418390      -0.08890970
Cl      10.96022879       7.46609827      14.26142149       0.96189819      -0.64515494       0.53857125
Cl      12.06378384       3.71460156      13.65546950       0.58264100      -1.97547520       0.26378783
Cl      14.49242273       0.56871425      12.35479298       0.67223541      -0.73847702      -0.57179193
Cl      10.68560697      14.10151092       7.17158432       0.24425116      -0.06139725       0.10751842
Cl       3.76096915       3.35128612       2.99343313      -0.02292038      -0.21325504      -0.01269719
Cl       6.89304723      12.77500621       2.25009919       0.38939619       0.36227741       0.59029369
Cl       8.20139643       0.40510468       9.16469621      -1.14433472       1.23193586       0.70524671
Cl       1.35082994       6.71398654       2.30020839      -0.31347563       0.62540971      -0.15296551
Cl       3.89486209      15.54652532       3.18537634       1.68560715      -0.62097326       0.05310575
Cl       0.18963983       1.42593218       3.02683927       0.24681615      -0.27608851      -0.15630720
Cl       0.31156276       7.10505622       7.90962949      -0.33632308       0.78668439      -0.09429459
Cl       2.62162407       6.47368652       9.92081795       0.77327320       0.36166863      -0.16832674
Cl       2.09249357       3.37485671      12.65394842      -0.49109093       0.45279974      -0.10392442
Cl       5.36421120       1.03444413      11.67650313      -0.14769022       0.34611470      -0.15342388
Cl       0.86418175      12.72317617       5.45929871       0.40622501       0.03861008      -0.59310992
Cl       8.17815737      10.44729616      14.88636572       0.06356045       0.05376134      -0.23911954
Cl       0.99972605      10.75780275       1.28246102       0.65506535      -0.30066482       1.53899571
Cl       7.87203969       1.41987771       2.77210957      -0.74516222      -0.20290969      -0.23393003
Cl       8.56477501       4.15536998       5.05297839      -0.46353532      -0.88442468      -0.49120644
Cl       9.06913508       6.48896872       7.21455763      -0.64279846       0.89803423       0.58688857
Cl       5.48667406       3.78589746       8.94870879      -0.19382155      -0.12500183      -0.06771989
Cl       5.66137743       6.39732287       6.70915559      -0.58440913       0.56240458      -0.09669785
Cl      10.14248883       6.29726232      10.29174291       0.47588694      -0.46301747       0.77400745
Cl      10.13786312      11.48959610       5.03679631      -0.94156125       1.32920393      -1.11439045
Cl       6.43822802       9.82700922       4.18410305       0.08212800       0.49919671      -0.26583317
Cl       0.29931647      13.75088855       9.33199529       0.35111722      -0.45835749       0.29637334
Cl      15.41893787       9.19402920      11.55467176       0.31884452      -0.26905101      -0.07504828
64
Lattice="15.7886 0.0 0.0 0.0 15.7886 0.0 0.0 0.0 15.7886" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.36398862 stress="-0.0018850396022455805 0.00333006724148549 -0.0009752593501331911 0.00333006724148549 -0.0054480692432283435 0.000213766600731564 -0.0009752593501331911 0.000213766600731564 -0.0019599739936487282" free_energy=-214.37353484 pbc="T T T" config_type=density 
Li       9.79755258       2.55568489       3.05995699      -0.49935088       0.25085596       0.47722986
Li      11.54083506       5.59153269      13.42034158      -0.41259178       0.79095210      -0.60210481
Li       5.55007183       2.03930294       2.77255710       0.52815101      -0.04229092       0.23597960
Li       7.15324627       4.60815553       6.94861023       0.30932703       0.59379579      -0.16578028
Li       8.93236887       7.56828120       9.15323560      -0.67000997       1.12944469       0.12098059
Li       6.35596934       1.71533666       9.26408736      -1.03213668       1.12653094       0.01978592
Li      13.25077201       2.07457467      13.28692791       0.36911194      -0.35869559      -0.21950318
Li      13.95574879       2.11930378       3.10572814      -0.61793972       0.33025443       0.17282357
Li       9.97620058       5.60806335       5.61131581       0.20850981       0.33206811       0.38059123
Li      15.53047218      10.90847005      12.56576781       0.10672828      -0.35708979      -0.73244015
Li       6.28880463      14.98800746      11.52248870       0.75024873      -0.51328777      -0.04811971
Li       8.34465403      11.89985203       3.88462714      -0.72759115      -0.40654124       0.02296173
Li       5.36258220      14.21141359       2.70591342       0.94857625      -0.47176710      -0.06880639
Li       7.26709787      11.44839280       0.64725681       0.44477344      -0.76375791      -0.71146573
Li       7.65769204      11.26559239      11.35536637       0.26873970      -0.70876068       0.02394020
Li       9.74704484       8.97742954      14.08826251      -0.62120069       0.57525323      -0.74836271
Li       9.04033132      14.62848525       8.32611821       0.13347915       0.11537691      -0.02812540
Li       0.17946586      11.75158129      15.61680424       0.16088935      -0.31085499       0.52361227
Li       6.11279332       8.40349814       5.86194404       0.44098254       0.52033593      -0.48408647
Li       0.27207863      13.01337462       7.43804104      -0.30906172      -0.18239852      -0.21629686
Li       1.98284291       0.41011204       3.15254134      -0.78890990       0.69656785       0.13994629
Li       2.60736098       5.07928735       2.48735183      -0.34187997       0.25156509       0.11757932
Li      14.83627901      14.59018211      13.47419649      -0.08463453      -0.11755457       0.24502872
Li      14.43629062       8.61053405       7.34731974       0.14409786      -0.01971750       0.17541818
Li       4.14547060       5.94543416       8.27963657       0.44991408      -0.13968984      -0.36286537
Li       3.77017558       2.11936693      12.46868371      -0.21849157       0.24721577       0.05036102
Li      15.34372462      15.33841965      10.45922122      -0.14238881       0.15196591      -0.30730029
Li       2.69067742       4.69478758      11.00858556       0.12045158      -0.31584519      -0.05775810
Li       0.68071444      11.96234331       3.55350862       0.03931989      -0.36831021      -0.21100987
Li       1.86959128       8.73665339       1.96702273       0.54901598      -0.52560948       0.19675235
Li      11.26260835      10.05081751       5.88505855       0.15200165      -0.34899367       0.34011668
Li       1.28138541       7.88040603      10.75909410      -0.52975837      -0.00945628      -0.53333056
Cl      11.95569631       3.07716656       3.28478665       0.32939826      -0.20995323      -0.14564315
Cl      14.55887331       0.56374302      12.35137441       0.29375236      -0.10993423      -0.33059026
Cl      10.68645076      14.10621415       7.06947196       0.02569456       0.10154706       0.25970185
Cl      12.48649325       8.45760567       6.70466057      -0.68220381       0.15340388      -0.40877780
Cl       7.15594612      13.26686060      10.97550844       0.23721996      -0.54300826      -0.25728402
Cl       8.36241620       9.33567287      10.74557906      -0.24740488       0.24999631       0.04039964
Cl      12.07816848       3.61347373      13.68254286      -0.34108101      -0.11440859       0.42152943
Cl      15.05828252      12.45002159      13.85264923      -0.34744231       0.84894480       0.31116965
Cl      10.93624220       7.44858782      14.30331903       1.12117712      -1.02862739       0.47891740
Cl       3.76338648       3.28676023       2.96999355      -0.21936555       0.08237405      -0.12087466
Cl      10.14902260       6.52984919      10.28999901       1.37616943      -1.17327730       1.60085828
Cl       6.49569845       9.79821570       4.18491053      -0.07020519       0.11732168       0.07889885
Cl       1.04361699       6.89226071       2.32217150       0.31281324      -0.88010056       0.06164623
Cl       0.17559134       1.45585418       2.81243911      -0.06201546      -0.13186261      -0.24304117
Cl      15.78626218       7.16232472       7.89711037       0.72212510      -0.07218442       0.40523340
Cl       2.73292772       6.43334926       9.90349408       0.09835148       0.65963007       0.05162643
Cl       1.98268502       3.52472601      12.60661292       0.25527164      -0.65127049       0.28112841
Cl       3.84376625      15.45855511       3.21684831       0.52445816      -0.04848637       0.12182710
Cl       1.00637957      10.54331131       1.43487270      -0.36701246       1.36322668       0.20340079
Cl       0.26528953      13.60239992       9.37486018       0.01485180       0.32998522       1.31050657
Cl       8.39470389      10.33856474      14.86334067      -0.81054121       0.92462413       0.41314434
Cl       0.84790782      12.82389563       5.48535436       0.27400731      -0.02793219      -0.90500109
Cl       8.59458756       4.33720736       4.67405714      -0.36394192      -0.52656514      -0.22265658
Cl       8.93727913       6.46355286       7.37147630      -0.17346089      -0.42180395      -1.13107199
Cl       5.39387521       3.99952079       8.56848901       0.08456915      -1.00775158       0.40686311
Cl       5.71116291       6.57303101       6.78796122      -0.66738908      -0.07604688      -0.05276795
Cl       8.00684114       0.59098309       9.36987098       0.87089387      -0.72393768      -0.02338386
Cl       5.33987819       0.91230162      11.54828728      -1.20123964       1.67139590       0.10632430
Cl       6.84727899      12.62453298       2.30052533      -0.25165977       0.74064878       0.23678910
Cl       9.97992669      11.42322577       5.02445354       0.26493603       0.16492936      -0.16345905
Cl       7.74582401       1.42597425       2.97092507      -0.40679979      -0.28255087      -0.35452048
Cl      15.40447915       9.10321731      11.64734495       0.27770095      -0.52988765      -0.17664445
64
Lattice="15.8034 0.0 0.0 0.0 15.8034 0.0 0.0 0.0 15.8034" Properties=species:S:1:pos:R:3:forces:R:3 energy=-212.18286453999997 stress="-0.0026033857415278545 0.002446006781726221 0.00031782271903689485 0.002446006781726221 -0.004952359344775679 0.0001291681437073183 0.00031782271903689485 0.0001291681437073183 -0.0009774061983366573" free_energy=-212.18498117 pbc="T T T" config_type=density 
Li      15.26417219      15.55816284      10.97318561       0.06780416       0.43765681      -0.28438505
Li       0.03791568      10.50211786      12.36026583      -0.19128921       0.26850704       0.27332183
Li       9.63172980       2.42250319       2.52486181       0.06370177       0.11829850       0.32820809
Li      10.73354285       5.61668639       5.14919022      -1.15648462      -0.58937903       0.58219308
Li       5.64288843       2.39176557       2.42002205       0.15095353      -0.06893344       0.31954413
Li       7.72389595       4.62276316       6.53356806      -0.16633768      -0.71206258       0.30277949
Li       8.70754697       7.65055237       9.33318778       0.22397603      -0.26895378       0.20357664
Li      13.18618312       1.96132837      13.00822104      -0.44119996       0.92121981       0.11975239
Li       6.34977451       2.39487884       9.56723613       0.11017282       0.26143956      -0.26966998
Li       6.52669358      15.04829774      11.08079096      -0.07606246       0.88441275      -0.44336256
Li       9.52377678       0.31073119       7.36337298      -0.12610960      -0.06247209       0.14134355
Li       8.17277572      11.67319721      10.62576366       0.46926511      -1.86088392      -0.13897113
Li       7.85800360      12.04991866       3.89299375      -1.82427278       0.41385187       0.19983230
Li       9.12235462       8.73488685      14.50281179       0.57760514      -0.73356967      -0.89751583
Li       7.55600063      11.93885237       0.75627645       1.17377719      -1.33963446      -1.29692270
Li      13.52462874       2.76009542       3.50332932      -0.51845551      -0.06423226       0.01084192
Li       0.85881681      13.89205779       7.79733435       0.05679703      -0.89264593      -1.49342361
Li       1.59870355       7.92994068      10.33419093      -0.15543745      -0.48389557      -0.31268398
Li       0.16413569      11.16985892       0.54759097      -0.24947417       0.23427705      -0.53537137
Li       1.98173056       1.39114170       3.13631116      -1.16278128       0.00380932       0.30887181
Li       2.70473611       4.82368759       2.27448854      -0.21686586       0.02948635       0.24042048
Li      14.82961030      13.84825076      13.56816710      -0.35086848       0.53539576       0.08966608
Li       4.37879027       6.13075519       8.57419788       0.82578327      -0.19107100      -0.71313653
Li      14.07055719       8.09405898       7.69914782      -0.52504569       0.13911011      -0.11640101
Li       1.92796739       3.89093931      11.33383500       0.40798630       0.56264637      -0.40388923
Li      11.33772264       5.51167280      13.57398276      -0.54839460       0.16600590      -0.62485951
Li       3.88444411       1.17299314      12.91980101      -0.56323901       0.47348735      -0.52167419
Li       6.34999576       8.12332688       5.63740465       0.56147033       0.85345949      -1.01913660
Li      10.89194033      10.05183159       5.29353847       0.25369387      -0.14846740       0.53770944
Li       1.01882307      11.67749574       4.37430210      -0.10058745      -0.36111265      -0.62885954
Li       0.96973613       8.29359271       2.40815370      -1.55548272       1.67648105      -0.64759163
Li       4.82248653      13.87876713       2.58398233      -1.31130926       1.06344818       0.54502805
Cl      10.63467678       7.37914478      13.84211904       0.00335254       1.03005532       0.61724265
Cl      11.50182514       3.20290668       2.93922696       0.76915802       0.48715198      -0.20427043
Cl      14.05571780       0.08660358      12.78540890       0.49293457      -1.37216901       0.06023463
Cl       7.92091693      13.62950010      10.53723302       0.00346727       0.92754165       0.09214981
Cl       8.95825211       9.58578932      10.55760360      -0.34306219       0.66257479      -0.04756955
Cl      10.64806226      14.26877924       6.67254315      -0.17460869       0.41119670       0.07220372
Cl       8.09459630       9.95211213      15.70925915      -0.76265011       1.15880161       0.74730843
Cl      12.44652079       3.82281085      13.67512452       0.73135080      -1.02046609       0.17099201
Cl      12.49881424       8.98489664       6.47809812      -0.05575392      -0.08566063      -0.30126808
Cl      15.57940261       2.64814413       3.44713243       1.16993969      -0.30040293      -0.11800036
Cl       3.48152063       2.81735114       2.79854509       0.75123943       0.96957526      -0.38463429
Cl       6.46638780       9.79924584       4.26645970      -0.52353620       0.31892782      -0.09782141
Cl       1.83162986       6.75969891       2.81708248       1.77430361      -3.18525807       0.72389730
Cl       0.15382634       7.93013032       8.55377989       0.79755628      -0.07129915       0.18239610
Cl       3.25964089       5.67109750      10.36644567      -0.76445441      -0.00393182       0.51511688
Cl       1.53808803       2.20846194      12.59834405       0.42178889      -0.56050787       0.27104355
Cl       5.12311461       1.13008849      11.08924578      -0.25731353      -0.41243112       0.67273188
Cl       3.03480592      15.34208295       2.92110046       0.43462055      -1.09155686      -0.26020343
Cl       0.79687380      10.30252092       2.29925247       0.08145005       1.33897198       0.78461743
Cl       0.85513304      14.89185989       9.50512877       0.04994748       0.58112881       1.34709667
Cl       9.42413634      10.96599506       4.12117905       1.99862771      -0.66446585      -0.29597625
Cl       1.43653380      12.35800595       6.24830088       0.05468982       0.36308678       0.66731768
Cl       7.68701081       1.75650050       2.70707501      -0.95992077      -0.39082621      -0.27901604
Cl       8.72246538       6.47506387       6.33202729       1.98262318       1.33627942      -0.68885284
Cl       6.15101515       3.33372723       7.62472961      -0.88677163       0.64820000      -0.30135703
Cl      15.44415711      11.93692435      14.36359964       0.11770661      -0.14923371      -0.47668936
Cl       8.06591313       1.28163520       9.02472121       0.92700717      -1.02965952       0.21586269
Cl       9.52689005       3.48728887       5.68898695       0.47387280      -0.24791121      -0.30833941
Cl       9.50784695       6.27270133      10.88109920      -0.10558621      -0.43467244      -0.31089478
Cl       6.41523220      12.76061336       2.11477938      -0.06276395       0.35549451       0.83635193
Cl       0.28690599       8.49162512      12.02602392       0.22576310      -0.19088124       0.28924801
Cl       6.08263384       6.87514274       7.15821324      -2.06826674      -0.64333234       1.95384703
64
Lattice="15.826 0.0 0.0 0.0 15.826 0.0 0.0 0.0 15.826" Properties=species:S:1:pos:R:3:forces:R:3 energy=-209.80817281 stress="-0.0042594824387041765 0.0017766033738394694 -0.0012569117810460064 0.0017766033738394694 -0.0036227879777085813 0.0005114603092827754 -0.0012569117810460064 0.0005114603092827754 -0.0020437525036191067" free_energy=-209.81228945 pbc="T T T" config_type=density 
Li      14.78515563      11.71396207       1.04072884       0.06041912      -0.19894021       0.66091641
Li      11.74039149       0.94227213       6.78057057      -0.81057314       0.33152090       0.18746999
Li      11.12127837       5.65231920       4.90367027      -0.53016016       0.15207091       0.23277060
Li      13.44534230       1.60379101      12.59141882      -0.49117185       0.96512951       0.19077347
Li       7.13833313      11.37669419       0.42934988       0.01097135      -0.04626768      -0.18415077
Li      11.80364801       5.19453633      14.06656028      -0.75377330       1.01197250       0.27081088
Li       6.34655835       1.69900023       8.63175362       1.06957826       1.63750640      -1.46460988
Li       8.62053298       7.71473187      10.28576053      -0.72715653      -0.49043276      -0.71417219
Li       7.82665334       4.58719775       6.65230084       0.65321177       0.17636744       0.14484547
Li       5.55380235       3.06442003       2.30418647       1.07749882      -0.43594583       0.21610290
Li       6.73847341      14.78952361      10.82029950       0.14070241      -0.06723193       0.00990830
Li       9.15831629       2.75921562       2.23189330       3.58493553       1.32948546      -0.06803827
Li       0.10476796       8.16306663      11.14468503      -0.12131129      -0.20662615      -0.68909435
Li       1.36496085       9.26499935      14.03546219       0.03029278       0.27727842       0.30467277
Li      15.07542030      14.71542628      10.74123281       0.87212053      -0.67476026      -0.95588887
Li      15.73386103      12.14645500       4.73661102      -0.31851484       0.06542713       0.19545145
Li      10.91840488      10.61142796       6.00701152       0.92352931      -0.05523545       0.61318405
Li       1.48163012       0.22048150       1.94954164      -2.10655497       1.46767393       0.20530475
Li       2.62133951       5.56807741       2.01689709       1.89547988      -2.15553830       0.49114594
Li       9.84049602       8.58408570      15.09596245       0.08841043      -0.44338229      -0.54304226
Li      14.28381960      13.76706905      13.84285977      -0.33745319       0.71151287      -0.25049270
Li       4.49034263       6.89467603       8.89378470      -0.60536361      -0.60113806       0.49355157
Li       0.65804825      12.77262652       8.49865696       0.19721703      -0.38595431       0.34209846
Li       1.96017671       5.33122549      12.48445088       0.74197819      -0.35631314      -0.93380577
Li      13.26286852       2.17775256       1.91800042       0.57782873      -0.07746591       0.31345882
Li       8.43981589      11.72836373      10.11651728      -0.11261247      -0.61436092       0.58257815
Li       4.82594879      13.71642585       2.17072581      -0.25413368       0.43033613       0.11977931
Li      13.86761163       9.14719061       8.28703168       0.19186695      -0.48698587       0.77754120
Li       0.80210599       8.78828858       2.81846817       0.29699070      -0.80593422       0.05601626
Li       6.87815369       7.97927929       5.85943407      -0.01572398       0.43469880       0.36723184
Li       3.92989649       1.32648468      11.16196702      -0.35113749       0.96490054       0.32866485
Li       7.53466364      11.52965248       3.71244725       0.68497696      -1.31850075       1.67035710
Cl       0.02009902       1.88180636       2.02523739      -0.72726432      -0.18206892      -0.22701802
Cl       3.72697552       3.78301539       2.06681230      -1.04668083       0.17962481      -0.19385346
Cl      12.50049845       3.61684239      13.16940016       1.18718246      -2.23755121      -0.93579444
Cl      10.94893323       6.86674314      14.90682592       0.39902639       0.11072942       0.75308939
Cl      12.78895895       9.88943001       6.80839268      -0.33914089       0.54934839      -1.06541050
Cl      12.40524175      15.36359593       5.38210608       0.53788507      -0.32954779      -0.42447938
Cl      15.61051318       8.24700773       9.03194568       0.33846634       0.05726520       0.20741999
Cl      14.76382218      12.09813822      14.76489835       0.57331071      -1.47708431       0.63808072
Cl      10.95113305       4.45639586       6.57855168       0.35895867      -0.57801797      -0.00401553
Cl      11.24457874       2.99478563       1.85001192       0.52287466       0.17667610      -0.12661608
Cl       6.63205939      12.51108604       2.19618985      -0.70957904       0.99687843      -1.08018430
Cl       9.28006571       9.64711812      10.56725759       0.15874717       2.07337450      -0.25707157
Cl       1.38819025       6.92865445       1.75703417      -2.21514566       2.77859280      -0.52021750
Cl       2.91315512       5.82023306      10.23366134      -0.15010512       0.78350784      -0.18802011
Cl       3.11229368       3.32817615      12.02381933      -0.09212608      -1.10978975       0.46294711
Cl       1.36601011       7.61763936      12.78541392       0.03487209      -0.13572849       0.48025991
Cl       3.20425857      15.24520163       1.88330983       2.23871510      -1.42258501      -0.12203056
Cl       0.07021601      10.76011323       3.07818865      -0.40636340       0.49584962      -0.87208150
Cl       0.92301505      13.10180732      10.56111710      -0.47365257       0.48532433       0.56581707
Cl       0.43972541      13.05714634       6.51304787       0.09225543       0.37429151      -0.51208383
Cl       7.12918570      12.95392917      11.84822986       0.24754319      -0.05801065      -0.42716943
Cl       7.48558722       2.10883033       2.31426763      -3.75371211      -1.56920811       0.16833301
Cl       5.99332203       3.63482072       7.26058898      -0.23668544      -0.64219153       0.36009895
Cl       6.33283720       7.73658758       8.45043513       0.41524276       0.38178319      -0.21844578
Cl       9.73949449       0.93481650       7.85081965      -0.18507093      -0.09457170       0.31926669
Cl       5.36072515       0.37886178       9.78250955      -0.68256629      -1.07936734       0.79442113
Cl       9.68152385       6.63068252      11.65295284       0.39889170      -0.89424683       0.62334910
Cl       6.26965981       9.79488549       4.59661422      -0.74160136      -0.16497789      -0.29615556
Cl       9.17490194      10.78950211       5.13827490      -0.70721916       0.51052829      -0.72357037
Cl       8.72026843      10.17423471      15.64916028      -0.30111815       0.71854132       0.21944366
Cl       8.57493828       6.62338674       6.08226415       0.19490120      -0.03762241      -0.65109674
Cl      14.14757357      15.32102399      12.46631429      -0.49320979       0.80538728       0.28144844
64
Lattice="15.8685 0.0 0.0 0.0 15.8685 0.0 0.0 0.0 15.8685" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.99413116 stress="-0.0013096086678335832 0.001551237895831366 0.00012508132212036332 0.001551237895831366 -0.0015817222502813844 -0.0006773851121720226 0.00012508132212036332 -0.0006773851121720226 -0.0015342561101488268" free_energy=-213.99413116 pbc="T T T" config_type=density 
Li      15.26500508       8.07768537      10.95245457       0.01673313      -1.03497692       0.16762852
Li       7.62557594      14.77292289      11.15496837       0.27813303      -0.47804144       0.10026405
Li       6.14698084       2.94319417       2.97640694      -0.36793649       0.18800303       0.15983277
Li      10.37736426       7.82128215       4.87818319      -0.20636472      -0.89790003       0.86825193
Li      10.01088125       4.57068340       6.68785867      -0.44984910       0.31522007       0.17839510
Li      15.15711514      11.23313660       0.72556495      -0.23983015       0.31157335      -0.68205624
Li       8.15690092       2.07428271       9.00035930       0.90604331       0.38899424      -1.15718780
Li       9.85284686       2.37107127       2.34645923      -0.81570086       0.23308152       0.15780578
Li      10.70455686       4.99454690      13.79796225      -0.15136563      -0.16664876      -0.23148102
Li      11.97175180       1.32823153      13.13024751       0.58965155      -0.60515792      -0.44783834
Li       7.57968424      11.75168744       3.98096233       0.30855389       0.76896404      -0.09601560
Li       7.55269192      11.97037124       0.00737568       0.22931513      -0.77350407      -0.47415209
Li      13.93167023       1.61671452       2.81027961      -0.92143352       0.37232148      -0.15415133
Li       8.70336446      10.01854574       7.37605964       0.37073222      -1.00694209       0.82553079
Li       9.45318282       8.65610806      14.29705831       0.13243825      -0.13461622      -0.08568007
Li       9.09146036       7.07038473      10.27342559       0.47308719       0.32876696       0.18030984
Li       2.62617328       8.35890693      11.15803099       0.75331388       0.03890535      -0.68671371
Li       7.91231973      10.73254890      12.46169173      -0.07406953      -0.85327247      -0.16952353
Li       0.26437873      13.07453320       8.26420372      -0.71124980       0.44965132      -0.01148018
Li       3.36197975       5.82134336       2.86842180      -0.12171300       0.74165842      -0.06880925
Li       4.13736227       7.22530889       7.30087469       0.18594863       0.13734153      -0.65900453
Li      15.16001908      14.89766517      11.49423690       0.41238598      -0.27391806      -1.07134307
Li       2.71775039       5.21469060      11.44705984      -0.01750432       0.48047135      -0.40435755
Li      15.84549068      11.24115019       4.67816075      -0.06749281      -0.28083580      -0.43285031
Li       5.16895758       1.91118627      11.42490742       0.17327560       0.10775944      -0.21058903
Li      13.89012650      13.97048458      14.06801238       0.03864696      -1.12759967       0.40688234
Li      12.40591396      15.82229093       7.66784962      -0.32626050      -0.09243820      -0.09896961
Li       5.24420601       9.44416951       3.94008508      -0.05688817       0.14038880       0.21422530
Li       0.80732581       8.75766646       2.26951287       0.39108774      -0.10541759       0.19566699
Li       1.41382781       0.02872198       2.71421171      -0.68816473       0.18348062       0.50322791
Li      12.06207530       9.40411742       9.59723706      -0.59620394      -0.84905237       0.55732055
Li       4.85585621      14.39107918       1.31770278       0.34515367      -0.23608352       0.03952748
Cl      14.13599304      14.62655185       7.98039560       0.12919364      -0.02299904       0.15833832
Cl      10.71501420       2.64132769      13.88436623      -0.75428242       1.16533320       0.45598536
Cl      11.41575129       6.90831974      10.44301224       0.66999747      -0.74338899      -0.05280503
Cl      15.57791603       0.69974055       3.61824016      -0.12500054      -0.09311001       0.50981715
Cl      11.24276878       5.49116748       5.09450258       0.10484184       0.18646110      -0.55810965
Cl      14.20084760       9.65482385      10.48717428      -0.76189073       1.36015669      -0.48266371
Cl      11.81470125       1.98495893       2.22306577       1.43599684      -0.31866436      -0.14761276
Cl       7.05113624       8.76417255      12.22815502      -0.55060033      -0.31432651      -0.19729964
Cl      13.50031680      15.63309080      12.78009319       0.14586655       0.05270135      -0.03179643
Cl      15.12531467      10.50653385       2.76178548       0.18136090      -0.60956242      -0.29825816
Cl       4.16341834       3.94159258       3.16720978       0.19203921      -0.57950153       0.14196638
Cl       8.54298153      10.36330477      14.70962344      -0.38261629       1.58279847       1.00666474
Cl       2.86059863       7.87377515       2.01737827      -0.49277594       0.06778600      -0.03986919
Cl       3.82708549       7.32707358       9.32775820      -0.24490824       0.06915890       1.24732084
Cl       1.11521755       6.81915464      11.27502944      -0.08842152      -0.35308830       0.52091823
Cl       3.54927566       3.31299369      11.65184284       0.09685281      -0.50377125       0.16633914
Cl       3.13225148      15.50409577       1.88097265       1.21448319      -0.26083248      -0.76144684
Cl       0.33851954      12.17666174       6.36871140       0.42449274       0.05139147       0.23344906
Cl       0.76567893      13.80642016      10.16582129       0.28535771       0.33061827       1.31708669
Cl       3.83554340       8.45368948       5.50495720       0.16683200      -0.00233682      -0.35521551
Cl       8.33472333      12.75697278      12.15181167      -0.14345741       1.68410282      -0.43005229
Cl       7.83680154       2.72847750       1.74072684      -0.01014796      -0.05036064      -0.22608273
Cl       7.92868016       3.77429099       7.66534240       0.37635158       0.18390714      -0.08865161
Cl       9.47003517       7.59039547       6.97491983      -0.10768567       0.48347294      -0.38666327
Cl      10.24118079       0.21680973       7.43645515      -0.12387208       0.28889033       0.30960148
Cl       9.69533613       6.89426025      13.44226982       0.40852927      -1.64922062      -0.19371562
Cl      14.59998798      11.64397206      14.47492833      -0.02321158       0.74228584       0.36161173
Cl       6.00179994      11.29302432       2.77130658      -1.20540877      -1.02672676      -0.22094673
Cl       7.96095669      10.29094441       5.35588851       0.24731141      -0.43340175       0.31479469
Cl       9.57784576       9.20419019       9.91586067      -0.17578429       1.84450454      -0.71785713
Cl       7.00841824       1.03747618      10.35140339      -0.74332468      -0.89831427       1.12425717
Cl       6.85708035      13.57112204       1.06163439       0.06140839       1.49586032      -0.09177076
64
Lattice="15.8436 0.0 0.0 0.0 15.8436 0.0 0.0 0.0 15.8436" Properties=species:S:1:pos:R:3:forces:R:3 energy=-211.76162922 stress="-0.002617476734809686 0.0029827720601825923 0.0005105489927768143 0.0029827720601825923 -0.0032409192485952426 0.00019203912727572367 0.0005105489927768143 0.00019203912727572367 -0.0033069483983322896" free_energy=-211.76162922 pbc="T T T" config_type=density 
Li       9.57290909       1.59150546       1.52917357      -0.58749238       0.12940585       0.16277644
Li       9.71401219       8.55248619      14.24355484       0.57136690      -0.89549209      -0.64687312
Li      11.20741408       4.74523742      13.76029335      -0.69063111       0.93695309       0.23736496
Li       5.85337049       2.93097094       1.80238378      -1.28376245       0.94417075       0.82333531
Li       7.81393677       4.72494177       5.65234689       0.75529634      -0.16281049       0.09184209
Li      13.46951576       1.30232332      13.00094129      -1.78727896       2.31713274       0.13356137
Li       6.35649985       2.38799492       8.34203565       0.58636121       0.44714107      -1.27764265
Li      10.87709086       6.02959885       4.79234044      -0.41812321       0.15630355       0.08237240
Li      13.47439559       1.59201246       2.43153314      -0.82796728       0.20854038       0.32569307
Li       7.19454707      11.21059864      15.70924627      -0.04205361       0.16846067       0.70906194
Li       7.09335400      12.41837212       4.67901117      -0.02843346      -0.25806286      -0.12632135
Li       7.73424346      11.80882129      12.77949529       0.50672659      -0.61816296      -0.91799256
Li       5.59538915       8.73868017       5.08790280       0.40276928       0.59820622      -0.31881122
Li      10.12379106      15.08795534       6.98032576       0.01958784       0.20408934       0.26001163
Li      10.26947296      11.01808306       6.69837305      -0.08493208       0.19445181      -0.03545648
Li       9.55730314       8.67684260       9.23417292      -1.00627626       0.33343420       0.68902990
Li       0.01648273      14.51348225      11.35635976      -0.50467479       0.65128314       0.27311989
Li       0.40189351       8.60649702      11.21378321      -0.57217235       0.35561591      -0.81124193
Li       7.03115203      15.35227412      10.55846022       0.99782776      -0.27266275      -0.35199825
Li      12.82580613       8.74704559       8.75080053       1.34723246      -0.56366505       0.96143588
Li       1.52752425      12.86495567       8.23396645       0.10492006       0.01681555      -0.39657137
Li      14.91440455      11.50256451       1.46894254      -0.37524332       0.49175322      -0.53775668
Li       0.20049284      11.24227000       5.14291178      -0.54409273      -0.20264338      -0.48570301
Li       0.31151211       8.14311925       2.91024751      -0.03072775      -0.60069476       0.11843740
Li       1.52618230       0.24475510       2.25994695      -0.09059429       0.24957845       0.31630932
Li       4.96078960      14.09243858       1.69691293       1.20035760      -0.82350613      -0.64543200
Li       2.20287830       4.80523713       2.56076938      -0.12943781      -0.03367663       0.16357473
Li      14.33845800      13.95198507      14.34580943      -0.21899256       0.18758809       0.01711453
Li       3.36785821       8.94233381      13.28322671       0.07385205      -0.38696236      -0.66710993
Li       4.31853758       7.23151019       8.48252085      -0.72343200      -0.31594207       1.76027206
Li       5.00594386       2.80639271      11.69883502       0.31744650      -0.25186956      -0.30625596
Li       2.73054940       5.78635206      12.23091064       0.14730064       0.57555609      -0.62128104
Cl       8.13698778       9.78361312      11.57490638      -0.23396543       0.44318393      -0.88725357
Cl       7.85866325      13.71249321      11.61912587      -0.18519087      -0.29106282       0.56106920
Cl      10.94873562       6.77171308      14.15395928       0.05413874       0.57588157       0.41599088
Cl      11.67248712       1.44027038       1.42286143      -0.13744806      -0.12985100      -0.59107578
Cl      15.40310039       1.28148424       2.85317886       1.79720507      -0.44361958      -0.04258152
Cl      11.09460765       9.30993701       7.91235721      -0.44978541       0.88967254      -1.34457300
Cl      15.10641314       8.82683396       9.48304419      -0.62672457       0.14374484      -0.57016487
Cl      15.59534663      10.32500478       3.01898214       0.32545100      -0.46120911       0.82972244
Cl      12.09912358       3.13050524      13.11544299       1.16909553      -1.90957526      -0.49374053
Cl      11.97460872      14.94369936       5.92433397       0.29903092      -0.30498090      -0.22514886
Cl       4.10228829       4.04236779       1.83182119      -0.77186179       0.46396050      -0.03877831
Cl       9.74916914       6.95793875      10.25014377       0.39882979      -0.92404375       0.31292681
Cl       9.05276370      12.45693544       5.59182434       0.09524106       0.07086379       0.15761353
Cl       0.35916649       5.91579427       3.25733325       0.22202607       0.50434442      -0.23024735
Cl       5.14779161       7.55411757       6.79853629       0.73445484       0.20481227      -1.83965035
Cl       3.48828541       3.87543962      12.75511199      -0.07503524      -0.31034274       0.24213080
Cl       1.51617865       7.82279334      12.69495384       0.62038154      -0.29526423       1.69991959
Cl       3.92666198       7.26212003      10.59816429      -0.16547133      -0.13941966       0.63810493
Cl       3.57981389      15.19545417       2.45079895      -1.81828898       1.24330281       0.67574322
Cl       1.64526280      11.94494950       6.37467246       0.58665332      -0.02035987      -0.11267049
Cl       1.05848873      13.30043286      10.16968997       0.43360921      -0.49735001       0.39090903
Cl       7.32495574       1.88497647       1.23755469       2.13946099      -1.46555026      -0.75152951
Cl       8.76352294       6.59958821       5.13378586      -0.65508026       1.73934842      -0.40558432
Cl       9.44886954       0.18985069       8.88973305      -0.63413981      -0.17015856       0.03100739
Cl      10.41761062       4.14562053       5.44945375       0.42856741      -1.42221598       0.07684276
Cl       6.29990651       3.27255895       6.20064636      -0.40177349      -0.34992787       0.51676308
Cl       6.00217358       1.31859153      10.10462030      -0.94526311       0.53812118       0.89291105
Cl      14.62050577      12.07217361      15.26958637       0.12947837      -0.13731386      -0.06256529
Cl       6.47854310      12.73071285       1.21293532       0.31542776      -0.11911828      -0.32247536
Cl       5.71950791      10.85839542       3.96820390      -0.26201595      -0.57792717       0.32466197
Cl       8.36985701      10.05932345      14.44402391      -0.68873551       1.06934536       1.11815229
Cl      14.60794179      15.58200632      12.82547342       1.21700137      -1.69761978       0.05470475
64
Lattice="15.8516 0.0 0.0 0.0 15.8516 0.0 0.0 0.0 15.8516" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.52155001 stress="-0.005379857880897123 0.003126110320782931 0.0002873778358905885 0.003126110320782931 -0.0021278903996849534 -0.0009186205633590532 0.0002873778358905885 -0.0009186205633590532 -0.004362975423090134" free_energy=-213.52155001 pbc="T T T" config_type=density 
Li      14.98467600      14.64906592      11.38163902      -0.75163861       0.67017102       0.86741732
Li       3.35327917       9.45104095      12.01543354      -0.27140388      -0.56149102      -0.04071047
Li      15.72418119       7.91139090      11.65999312      -1.74214514       0.58312429      -1.19301282
Li      10.04695015       1.84845508       2.09391710       1.08202399       0.47241118       0.50421811
Li      13.20815548       1.58245096      13.52098681      -0.17190589       0.36828420       0.03890008
Li       6.34517356       2.72408161       1.97222437       0.33936197      -0.15381614       0.14092250
Li      10.75941616       6.88916877       4.33587230      -0.46776738       0.06980711       0.44449111
Li       8.55449031       4.96277137       6.06293582       0.10525258       0.48119678      -0.19711438
Li      13.80414394       1.40556296       2.75981111       1.37873819      -0.16052664       0.99676077
Li       7.41845369       2.21695722       8.06060201       0.21153489      -0.49507530       0.61986674
Li       7.74750120      11.86043660      15.32727663      -0.47631196       0.87028793       0.81287573
Li       8.32714666      11.58499920      12.13156236       0.25849151       0.40001430      -1.19887971
Li       6.81227265      11.55098166       4.68015320       0.18887161       0.19563807      -0.14712377
Li      10.29607390      15.65356596       7.10121562       0.05108399      -0.13276193      -0.12804338
Li       9.47004702      10.65146677       6.96520889       0.02150887       0.09810424       0.10320967
Li       9.90541121       7.95561686       9.45484534      -0.00847024       0.79942222      -0.20709074
Li       7.38789181      15.64749480      10.55206138       0.38705491       0.43975355      -0.48643402
Li      11.56624675       5.23811367      13.16519764       0.47458941      -0.47863373      -0.69001960
Li       9.54310704       8.57482791      13.55571766      -0.15541973       0.59924440      -0.37126144
Li      15.26006584      10.65512849       0.91500032       0.34495244      -0.86466513       1.07100622
Li      15.72467782      10.85699861       4.79911945      -0.47749930      -0.41142026      -1.02421915
Li       4.65582099       9.32974451       5.46886541       0.28048183       0.90148819      -2.21850724
Li       1.59173841      15.82710183       2.81808160       0.97909869      -0.69700974       0.04567501
Li       4.87872619      13.91569165       1.60155055       1.00802990      -0.57399843      -0.79429890
Li       2.81342123       4.73991373       2.01759165      -0.67553792       0.32575009      -0.05090824
Li      12.68470395       9.41803792       9.53461059      -1.71262774      -0.62383027      -0.79853837
Li       4.41544733       2.76573961      11.57219110       0.95659558      -0.70100486      -0.92652280
Li       2.50640744       5.57373959      12.76036363      -0.63014810       1.56845103      -0.20372368
Li       0.09995749      12.63044392       8.31912575      -0.16279235      -0.63771776      -0.76634701
Li       4.15072561       7.32570598       8.69298574      -0.01517759      -0.57620019       0.93969353
Li       0.93307273       7.42916937       2.94619423      -0.39770902       0.71085072       0.02909075
Li      14.07439787      13.89001205      14.62570066       0.06313572      -0.76973060       0.53728786
Cl       9.04975770      10.14549955      10.20017172      -0.82758291       0.01152697       1.04789190
Cl       8.02623574      14.11125284      11.86332159      -0.06138091      -1.00742842       0.63185116
Cl      14.77429356      11.80967977      15.29338591      -0.51199682       1.45687236      -1.50802601
Cl      11.52244878      15.48847155       5.39642359       0.24361550       0.03176653      -0.18706090
Cl      11.71894522       7.15152860      10.19579667       0.25972075      -0.44657965       0.27992839
Cl      11.17306367       9.75366385       8.07749981       0.17304804       0.09660773      -1.18663141
Cl      14.22925215       9.40438969      10.68965327       2.56094595       0.07155394       1.50726662
Cl      15.45085570       9.71839404       2.84954702       0.38496063      -0.63003885       0.39651699
Cl      12.04144602       1.57502290       1.96534477      -0.30565678      -0.00499180      -1.21734278
Cl      12.96887558       3.74484539      13.40022932       0.68505837      -0.81165912       0.10612639
Cl       4.40796537       3.57990949       2.02814881       0.74305690      -0.55860171      -0.06784836
Cl       9.46694011       0.24918715       9.06183662      -0.76918199       0.41420074       0.11304558
Cl       0.85956569       5.41625395       2.43986242      -0.32268528       0.08227358      -0.00236792
Cl       0.16548595       1.36971773       2.81351634      -0.79318288       0.72485082      -0.09325916
Cl       4.52498188       8.68139822       7.27149351      -0.06834537       0.02052402       0.99349317
Cl       3.51344373       3.87986932      13.02418181       0.13849500      -0.62434993       0.72107830
Cl       1.34968607       7.70031099      12.96486512       1.37827948      -0.20991437       1.02752642
Cl       3.51376077      14.75330604       2.62588095      -1.82186456       1.01368804       1.18754086
Cl       4.99713764      10.64138515       3.60948858       0.06756159      -0.24666436       0.60370755
Cl       0.50495430      11.68090138       6.48276545       0.57215550       0.21875962       0.62090065
Cl       8.55789840      10.50157404      14.05356886       0.30128980      -0.63360088      -0.30110226
Cl      15.84585728      13.80506333       9.91714140       1.05249234      -0.16048140      -0.51210083
Cl       8.15946844       1.55295113       2.01599064      -2.24780188      -0.35281067      -0.23810826
Cl       8.98987035       7.33133330       5.65117466      -0.65750857       1.30364061       0.46317678
Cl      10.31466782       4.88195992       4.78716735       0.99230660      -1.60295218      -0.74708465
Cl       6.10075774       1.80389623      10.15180848      -0.26514896       0.03539271       0.15591336
Cl      14.10797155      15.39418623      13.12319090      -0.30915159       0.58272341       0.44726258
Cl      10.33124860       6.70831786      13.56172542      -0.86195102       0.45380004       0.63558051
Cl       6.48915364      12.87817272       0.91869691       0.78442808      -0.53014230      -0.44008961
Cl       8.60191829      12.38314311       5.75627077      -0.33577424      -0.46750352      -0.02594343
Cl       4.11103320       7.72194842      10.91306572       0.02047244      -0.11577816      -0.03561812
Cl       6.90834920       3.56519921       6.51502345      -0.21292443       0.16919886      -0.08488321
64
Lattice="15.8574 0.0 0.0 0.0 15.8574 0.0 0.0 0.0 15.8574" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.26899327 stress="-0.0029502484798709654 0.001911002257960298 0.0015555542239503888 0.001911002257960298 -0.0018024202965576067 -0.0017363421884229757 0.0015555542239503888 -0.0017363421884229757 -0.003241882276004311" free_energy=-214.26899327 pbc="T T T" config_type=density 
Li       8.89684184       5.25400063       5.64504411       0.20136286       0.27663930       0.08702537
Li      13.97140013       1.52296055       2.69293538      -0.02895078       0.25794569       0.73021974
Li       7.34178591       2.52684498       8.37204119       0.58545638      -0.26106351      -0.93650507
Li      15.44766064      10.70769349       1.02355553      -0.28830392       0.06731969      -0.40513217
Li      15.68566436       7.97327515      12.08002460      -0.75126873      -0.25150524      -0.36436322
Li      11.34796773       5.01739236      13.81564875      -0.25144787       0.58308460      -0.19559008
Li       9.80214081       7.57102049       9.49269950       0.04792624       0.74852484      -0.13176987
Li      12.93871867       1.16574566      13.78193592      -0.13530281       0.09862670       0.20088071
Li       7.00773392      11.88708762       4.15094403       0.37355162       0.41211154      -0.35462128
Li      14.82855603      14.61652674      11.44070181      -0.20089907       0.12417438       0.23259747
Li       9.18677854      10.55170425       6.86450989       0.26944874      -0.71788432       0.35318023
Li      11.03540252       0.48738987       7.05321295      -0.47526256       0.02163760       0.12882993
Li       9.44820364       8.92151596      13.59337557       0.18800412      -0.22366623      -0.51227669
Li       7.69841884      11.80470842      15.39629852      -0.51228696       0.50916303       0.71759148
Li       9.11840144      12.02306482      11.49136620      -0.50822117      -0.62634097       0.01936336
Li       7.18341806      15.43088351      10.98216923       0.33060564      -0.39100687      -0.29822956
Li       6.34671820       2.82968960       2.08621540       0.55439551      -0.30655430       0.08660492
Li      15.13263753      10.65450777       4.90973647       0.43975858      -0.24323913      -0.27163011
Li      10.86897911       7.96463287       5.24852982      -0.36115534      -0.98043117       0.39336163
Li       2.71545289       9.02133829      11.54577294      -0.41359743       0.58612757       0.63956108
Li      15.81379976       7.62453921       2.72009911       0.04375844      -0.57362308       0.04313902
Li       2.97018616       4.98654972       2.36064357      -0.63068876       0.44377450      -0.02311424
Li       1.87007904       0.10986704       2.54441497       0.69894983      -0.10227912       0.08241544
Li       4.29661010       7.57507998       8.52026031      -0.60538832      -0.22591034       2.38949913
Li       2.39811460       4.84154965      12.86618692      -0.29808645       0.43548529      -0.01043904
Li      10.16627428       1.62961743       2.27734464       0.10927836       0.09813802       0.26886005
Li      14.20337804      13.41333065      14.71395460      -0.46369164       0.94198288       0.32829886
Li       5.31793766       2.71407330      11.17353633      -0.79375543       0.54741114       0.61543181
Li       5.10698667      13.88683262       1.62200587       0.87611707      -0.75803827      -0.58977296
Li      12.71484390       8.97073733       9.30026996      -1.25796706      -0.49489615      -0.12407410
Li       4.85802549       9.36902764       5.44490787       0.44025831       0.46473859      -0.40628827
Li      15.12521627      12.83550285       7.83889954       0.41623545       1.22704075       1.27264467
Cl      12.32822463       3.16656421      13.74782665       0.21748923      -0.27980752      -0.00773403
Cl      14.46083878      11.60980512       6.46039990      -1.02616270      -0.30634955       0.12700537
Cl      10.78190612       9.49595027       7.92766927       0.87479191      -0.23931998      -0.60491661
Cl      15.21931408       9.66034394       3.11770756      -0.00025114       0.05066508      -1.20378746
Cl      14.77276970      11.52649034      14.71170285       0.74898410      -1.61431261       0.74120448
Cl      13.94628201      15.08842710      13.45310101       0.04663391       0.25598077      -0.33783021
Cl      12.71579534       1.13153332       5.97582948       0.38955345      -0.06380031      -0.28280110
Cl      11.61408662       6.90846660      10.36899529       0.29470787      -0.12129356      -0.00970918
Cl      15.58279740      14.14556196       9.58332455       0.26293570      -0.24970805      -0.43427908
Cl      10.94119371       5.48358406       4.88220803       0.88144686       0.25009340      -0.42289915
Cl       4.36390891       3.49524054       2.09442953      -0.11358664      -0.21553870      -0.08458372
Cl       7.94135421      11.93846559       6.03123523      -0.22033908       0.64549559       0.08481059
Cl       9.31075170       9.76860241      10.67543954      -0.29331610       0.17494441       0.65895298
Cl       1.10378763       6.14746997       1.74269655       0.26877244      -0.06055840       0.01436677
Cl       0.21136170       1.35788978       2.69350625       0.26458965       0.15751638      -0.12666285
Cl       3.75810866       3.32171301      12.59033159       0.48175069      -0.57402862      -0.14215732
Cl       1.26611825       6.68232422      13.08191099      -0.11879319       0.61873087       0.19287698
Cl       3.51445970       7.48102974      10.61161351       0.63580649      -0.79598339      -0.78750540
Cl       3.97207255      15.12840361       2.65368832      -1.19503046       0.85666272       0.61544572
Cl       5.46653736      10.57171629       3.74428100      -1.02694994      -0.55658463      -0.25724479
Cl       4.80901027       7.72028619       6.71386459       0.43725855      -0.26891754      -1.96979720
Cl       8.06087143       1.47423076       1.94831945      -0.32039833       0.04950316      -0.13195879
Cl       6.77421785       1.73892248      10.12992912       0.01207640      -1.06643257       1.13304456
Cl       8.18841250       3.52514759       6.83728273       0.05218454       0.49431457      -0.60055043
Cl       9.14602503      15.71682320       8.06843541      -0.06395103       0.07831437       0.33966211
Cl       8.75398253       7.56859430       5.72474340      -0.74829711       0.79887777       0.22426607
Cl      10.35667409       6.91238338      14.18003594      -0.19904369       0.31795495       0.14546653
Cl       6.86073582      12.64142414       1.28101627      -0.02795094       0.15451974       0.42022336
Cl       8.63460802      11.01131513      13.84939330       0.94299599      -0.72661877      -0.81535076
Cl       7.28636430      13.37135611      11.98332618       0.03977240       0.67332673      -0.34219996
Cl      12.15804301       0.84704998       2.00296405      -0.44879827      -0.40838475      -0.71163560
Cl      14.49507491       8.82386609      10.38918176       1.35228557       0.28325105       0.61057988
64
Lattice="15.8612 0.0 0.0 0.0 15.8612 0.0 0.0 0.0 15.8612" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.80937354 stress="-0.0018571004103869148 0.0037757699066781943 0.0007618314261698158 0.0037757699066781943 -0.001987389129676658 -0.0009041650097706881 0.0007618314261698158 -0.0009041650097706881 -0.00102624532068069" free_energy=-213.80937354 pbc="T T T" config_type=density 
Li       9.23764219      10.25253693       6.98903158      -0.57003852      -0.31340368      -0.33745336
Li      14.04387129       1.08672695       2.80779721      -1.46444271       0.03167594       0.25619503
Li       7.82466305       2.69159806       8.47779554       0.41722196      -0.38923438      -0.01727106
Li      15.04514126      10.97798063       1.40827471      -0.30997894       0.97342765      -1.02103991
Li       9.45402068       7.89007463       9.73206751       0.95675318      -0.30271322      -0.12106365
Li      15.41502444       7.43672982      11.89269604      -0.65202242      -0.10804034      -0.18432655
Li       5.23468770       2.58935676      11.39600256       0.23198697      -0.05182116      -0.10368012
Li      10.79543408       4.68971273      14.19796285       0.10362294      -0.38112585       0.01969857
Li       7.00966701      12.36258409       4.01889499      -0.60539084      -0.74641060      -0.08248415
Li      14.59024204      14.88113645      11.40325113       0.17695835      -0.12779650      -1.29990878
Li      12.69815950       1.15973922      14.02623363      -0.14869045       0.29665052       0.28748986
Li       9.76050664       8.50127011      14.14368582       0.10248541      -0.29671576      -0.41631097
Li       7.86664764      11.91881943      15.23300131       0.19498340      -0.10989170      -0.13074961
Li       8.62855624      11.66748286      11.90931858       0.35371574      -0.55651301      -0.10414818
Li      11.68600874       0.38105740       7.06963820       0.23337758       0.42335252       0.54087774
Li       7.16583638      15.49276019      11.05052976       0.15339280       0.55780333      -0.59086291
Li       8.72803769       5.30065443       5.51321037       0.11142119       0.08693152       0.04611692
Li       5.98141713       2.64967690       1.93276653       1.13195689      -0.87452170      -0.23708201
Li      15.21117630      10.87691307       4.55804891       0.07283831       0.23474437       0.67953043
Li      10.14875710       1.81653565       2.17533186      -0.43282956       0.25253063       0.13244594
Li       1.90637349       0.33610517       2.46973159       0.11164396      -0.02974982       0.19458124
Li       3.02766516       5.03144228       2.59863556      -1.79077144       0.97454075       0.15881562
Li       4.55808063       7.15267158       8.03847202      -0.07876031       0.32755540      -0.60506524
Li      14.61233670      13.79126582      14.32578826      -0.17612796      -0.52281614       0.38462922
Li      10.64402307       8.00425941       5.27724330      -0.43937460      -0.81534079       0.36356786
Li       2.58526457       4.97605497      12.23391803       0.31345658      -0.22016509      -0.20285606
Li      14.97191010      13.28461150       7.74746658      -0.13872933       0.82200878       1.22560312
Li       0.14386108       7.59756238       2.58819889       0.05540301      -0.37837911       0.07553226
Li       5.05077708      13.88373661       1.56257881       2.00304822      -1.67311694      -1.09813680
Li      12.82132171       8.60884077       9.73801546      -0.34225433      -0.04337607       0.03631302
Li       5.17195665       9.69802938       4.84867367       0.36871694      -1.19202010       1.16420605
Li       2.89297185       8.94053019      11.70867440       0.20666075      -0.84494060      -0.57734381
Cl      15.53583920      13.75047081       9.82388800       0.06336074      -0.05368961       0.32038321
Cl      11.60622690       6.95223360      10.44742349      -0.13436349      -0.32973830      -0.18596036
Cl      11.00388197       9.01825007       7.58685607       0.07286110       0.25796523      -0.20192256
Cl      15.55193832       9.68657759       2.80016797       0.31548708      -0.76756547       0.99159188
Cl      14.54275361      11.74636061      15.41326385      -0.03778174       0.71512430      -0.68356485
Cl      13.78841080      15.54974948      13.19517020       0.68768930      -0.99419002       0.23902565
Cl      13.80293966       1.17731819       6.62979127      -0.55575882      -0.57616579      -0.05820096
Cl      10.63812270       5.82580290       4.54905560       1.12329577      -0.23239161      -0.46289000
Cl      15.12306734      12.52623995       5.92181074       0.02908239      -0.66492300      -1.44805832
Cl      11.45854327       2.56326509      14.62989504      -0.95365233       1.27583700       0.08391065
Cl       4.70164035       4.05694601       2.51631594       0.61932521      -0.05613050       0.22445772
Cl       9.51064516       9.45935004      11.17510363      -0.56619140       0.91963733      -0.09008486
Cl       0.86562023       5.67824616       2.28258529       0.35973544      -0.30332641      -0.10959542
Cl       0.10372495       1.30560992       3.13174636       1.73800677       0.05409418       0.01208183
Cl       4.13802847       7.78199642       5.92361892       0.04146292       0.08877065       0.17182385
Cl       4.36011699       7.62344786      10.17370677      -0.49304078       0.30715332       0.76727150
Cl       1.23389350       6.48797628      12.71452825       0.31187032       0.64766910       0.31158541
Cl       3.52941836       3.09450426      12.57813780       0.03534245      -0.19365955       0.05644439
Cl       3.67916395      14.84714590       2.36736341      -2.25725553       1.71199534       1.10585119
Cl       4.90983446      11.12065213       3.46827344      -0.32476230       1.40999849      -1.32836459
Cl      12.17746802       1.58192313       1.87706199       0.59758766      -0.36153868      -0.10578015
Cl       8.03790102       1.85041518       1.79653468      -0.43647483      -0.10268017      -0.10982808
Cl       8.33540955       3.16970221       6.48653291      -0.15898095       0.36181378      -0.19220697
Cl      10.18550750      15.85119983       8.83043760       0.09608794       0.02065129      -0.38614262
Cl       8.39736339       7.62135418       5.48237620      -0.70274121       0.56334528       0.56798559
Cl       9.75181471       6.44416764      13.57450666      -0.15410799      -0.15368743       0.15288334
Cl       6.94652357      12.91740886       1.00809663       0.10902231       0.17452824       0.35354931
Cl       7.19870079      10.76938999       5.66516067       0.84766983       0.56023034       0.51228219
Cl       9.17575178      10.54325686      14.10168536      -0.38231149       1.05082795       0.47652174
Cl       7.77214661      13.77513498      11.85783312       0.24282251      -1.36557764       0.73337790
Cl       6.99141076       1.65686095      10.34689521      -0.43151800       0.59060212       0.06892831
Cl      14.54058063       9.18698151      11.14904368       0.14799832       0.44189137      -0.22317562
64
Lattice="15.8709 0.0 0.0 0.0 15.8709 0.0 0.0 0.0 15.8709" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.18639292 stress="-0.005298804956822399 0.002735206202055199 0.0004777561537614967 0.002735206202055199 -0.0030714410671795023 0.0013314860997876822 0.0004777561537614967 0.0013314860997876822 -0.00016233220271940694" free_energy=-214.18639292 pbc="T T T" config_type=density 
Li       8.59136256      11.90666660       4.52572997      -0.79583233      -0.01940920      -0.72034539
Li       9.73709870       2.58049724       2.81902100       0.81712557       0.29817313       0.15634258
Li       7.08967387      15.05580232      11.69804362       0.32405016      -1.88467386       0.68236923
Li       6.22434479       3.48588448       2.67510368      -0.91531815       0.64799673       0.28898924
Li       9.98106617       7.60568444       4.94981629      -0.09742669       0.82079230       0.34049585
Li      10.16904111       4.58857874       6.91371320      -0.16100076      -0.45388816       0.70976280
Li       9.15790607       6.96773774       9.76507909       0.41229876       0.54873390       0.66717423
Li       3.01218572       8.45087335      10.53853153       0.69793901       0.07691026      -0.17353643
Li       8.01550282       1.73857774       9.34964242       0.08749371      -0.63272535       0.11790087
Li      13.02510479       1.65076405      12.67088217      -0.46540261       0.93638517       0.15175585
Li      13.51145265       1.62816389       3.46795036      -0.13313110       0.14434248       0.09310320
Li       5.76556468       9.59978367       4.02889145       1.27035383       0.95696588      -0.62825514
Li       7.10143421      11.88138425      15.71830130      -0.05577175      -0.05979544      -0.14771523
Li       8.81044446       9.76947533       7.80094412       0.27668666      -0.29294402       0.42130126
Li       7.46782980      10.83117506      11.47726353      -0.21088570      -0.51106587       0.72857023
Li      11.00589780       4.99020773      14.05265034      -0.49107506       1.19844705      -0.08311171
Li       3.77667111       8.14386666       6.67842711      -0.02432441      -0.09180684       0.42038211
Li      14.54214064      11.59648573       1.14296350       0.02206590      -0.07506096      -0.22064626
Li      15.59166739       8.04432437      10.40347018      -0.26393861      -0.16430102      -0.13351704
Li      15.37469631      14.51039884      11.04021068      -0.28451708      -0.13468838      -0.59691512
Li       3.47647303       5.44141742       2.44321396       0.37056090      -0.57466883       0.12202378
Li       1.49642431       0.47233544       3.05027588       0.36455239      -0.01288571       0.16406430
Li      13.10418949      13.73658137      13.85124862      -0.22805855      -0.25032601       0.15681584
Li       2.10281490       5.04656530      11.06968294      -0.16744269       0.43610271      -0.07973731
Li       0.69484863      13.09565094       7.98468153      -0.19754019       0.32218178      -0.20741474
Li       5.05126308       2.39958485      10.87486765      -0.26489693       0.30567470       0.05459787
Li       9.02479683       8.58271291      14.41780801      -0.50392751      -0.37616081      -0.51498884
Li      12.16115648      14.61063944       7.50249185       0.53866513      -0.07368565       0.74228970
Li       1.33718681       8.72788404       2.48838254      -0.44769234       0.95380788       0.19733571
Li       0.07208023      11.54600040       4.78837750       0.84865893       0.44769110       0.12945285
Li      12.16986960       8.62389790       9.60132315      -1.02489563      -0.77312758       0.27164168
Li       4.67339283      14.56550260       1.81155214      -0.46427822       0.43058401       0.59999615
Cl      14.49452794      14.09939014       8.50434241      -1.08960019       0.27411855      -0.63071219
Cl      11.93264726       3.29397355      13.66436877       0.96423303      -1.59196912      -0.34220656
Cl      15.39396358       1.19659603       2.80689563       0.35103242      -0.11683484      -0.33165885
Cl      11.22061520       6.78684123      10.83480950       0.11691127      -0.45839120       0.45669037
Cl      11.47904107       1.91829981       3.70328406       0.09203511      -0.23237173       0.51298230
Cl       6.66823799       9.08226536      12.93616427      -0.54996693      -0.26796798      -0.29886410
Cl       7.11011559      12.86480870      12.44097632      -0.05631467       0.86866939      -0.36604295
Cl      13.99178544       9.26735180      10.29054872       0.40051316       0.99845043       0.06065577
Cl       0.02745666      10.49482308       2.60154206      -0.32945761       0.45203132       0.45149433
Cl       4.21010538       3.57931646       3.10371320      -0.57322559      -0.05041027       0.21334713
Cl      10.46562062      14.77460171       8.79014558      -0.23727554       0.09918362      -0.20655844
Cl       2.39139547       7.11275016       2.14380943       0.00606937      -0.33279959      -0.59185795
Cl       3.54947917       7.34140221       8.65778227       0.09108260       0.14682577      -0.01926942
Cl       1.41807126       7.09729190      11.12464387       0.00879544      -0.20790847       0.79869719
Cl       3.19744674       3.33636473      10.96672842      -0.06185711      -0.50553288       0.00330411
Cl       3.52264148      15.75788332       3.38726270       0.19981981      -0.29757728      -0.33565355
Cl       4.23697482       8.57447592       4.68548645      -1.22911465      -0.81413519       0.24073813
Cl       1.74464042      12.88042567       5.97109284      -0.89166944      -0.73402480      -0.37080988
Cl       1.17836036      13.47679061      10.04462913       0.85257453      -0.12634806       1.05891456
Cl       7.85893639       2.55181853       2.23559084       0.19953055      -0.86501330      -0.89712093
Cl      10.34662061       5.53046904       5.05121547       0.04167459      -0.06107028      -0.57014653
Cl       9.13930538       3.13247127       8.37789895       0.44713454       0.89693537      -0.53634504
Cl       6.59161328       1.00064755      10.90956143       0.24124231       0.56717839      -0.41890331
Cl       9.49054427       6.37691175      14.41353874      -0.29509167       0.31130359       0.36517541
Cl       6.24477064      13.59226727       0.92560200       0.30936739       0.15364440      -0.49731397
Cl      13.48380554      15.50217138      12.70611557       0.68544093      -0.64093579      -0.47574557
Cl       6.78415904      11.22324977       3.08577909       0.48779779       0.14637284       0.43632789
Cl       9.32645503      10.07075263       5.29703984       0.27697534      -0.74641408       0.58746143
Cl      10.41772224       8.18751163       8.31779585       0.11655166       0.08244207      -2.18419407
Cl       8.14946909       9.21224803      10.04048682      -0.40203096       0.34746428      -0.79735978
Cl       8.55836695      10.62064757      14.78886965       0.87837333       0.65058141       0.73993057
Cl      13.54589250      12.09178478      15.16151838       0.11535456      -0.08907196       0.23486176
64
Lattice="15.8721 0.0 0.0 0.0 15.8721 0.0 0.0 0.0 15.8721" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.3071802 stress="-0.00505339166412083 0.003025009401010978 -0.0003698020569693236 0.003025009401010978 -0.0035763326749449972 0.000671164068954563 -0.0003698020569693236 0.000671164068954563 -0.0011598319972189674" free_energy=-214.3071802 pbc="T T T" config_type=density 
Li       8.95545149      11.87112452       4.04260800      -0.58935202       0.70157221      -0.54593036
Li       9.91628494       1.60652635       2.75844400       0.34970946       0.07235814       0.16958802
Li       6.66790095      14.41751727      11.37183587       0.21024479      -0.69106631       0.29696016
Li       6.04636539       2.98289137       2.04831038       1.00256344      -0.77291558       0.14498510
Li      10.22542583       7.95436640       4.99818778      -0.00489034       0.44225666       0.07594982
Li       9.54022727       4.55545142       7.18766461       0.01672628      -0.20327426      -0.03843829
Li       9.59414480       6.38921862       9.88484231      -0.24147483       0.36448651       0.04946323
Li       3.26609725       8.88845536      10.40076492       0.19402124      -0.64527056      -0.43733690
Li       8.30277487       1.71888494       9.92257029       0.67950671      -1.02775175      -0.19990908
Li      13.73579470       1.85287721      13.00955089       0.35613115      -0.66742181      -0.44499333
Li      13.88380203       1.68053795       3.99819786      -1.49979270       0.29275391       0.07634736
Li       5.69616338      10.01332696       4.01927601       0.65478247       0.74667228      -0.30623625
Li       7.24748656      11.77260640      15.47028668      -0.26732476       0.32587193      -0.15942803
Li       8.61204274       9.67394972       7.61952858      -0.53465701       0.26880363       0.41596359
Li       7.56880135      10.61019728      11.60137818      -0.37715285      -0.06666767      -0.02858240
Li      11.18644974       4.88305156      14.24803498       0.59032755      -0.41405177      -0.27960351
Li       3.91617085       8.18678156       6.57358894      -0.15021272      -0.15504125       0.87196678
Li      14.43607175      11.94215217       1.22409286      -1.03645832       0.59424557      -0.91253829
Li       4.93546124       1.97158465      10.76756915       0.02742458       0.02679339      -0.08784959
Li      15.22845460      14.81658948      11.29306264      -1.29628544       0.66029504       0.81008059
Li       3.32830001       5.70624216       2.13330547      -1.04090287       1.56028088       0.18812306
Li       1.64415909       0.85026522       3.42145336       2.21105286      -0.49658964      -0.73095277
Li      13.45247772      14.15432611      14.19360955      -0.34431647      -0.73634485       0.81008382
Li       0.52504748      13.57228033       7.87386311      -0.54717170       0.10388400       0.07249542
Li       2.92183140       5.25245882      10.73631699       0.21616968       0.44920273      -0.24573819
Li      10.90072020      13.50879193       8.19141622      -0.03920455       0.40634610       0.12916383
Li       8.59123442       8.46722570      14.38261452      -0.10007766      -0.50018166      -0.47152158
Li       4.69107852      14.56674675       1.87549495       0.29824613       0.00382099       0.07924319
Li      15.80438962       7.54883425      10.90797375      -0.94962517       0.07402884      -0.20736862
Li       1.12431925       9.15185286       2.06570620      -0.23988599       0.28927122      -0.03582871
Li      15.42569243      11.89444064       4.39580984      -0.17506922      -0.05176433       0.19271670
Li      12.19343926       8.71421145       9.46072393       0.31989012      -0.42742583       0.30176097
Cl      13.03340666       3.53316120      13.70044753      -0.70543145       1.42278959       0.65026371
Cl      11.64009023       6.58946104      10.23469514       0.62367923      -1.00331799       0.68873132
Cl      15.79937404       1.28709398       4.01662537      -0.93435667       0.28214792       0.83883939
Cl      12.98807594      13.62115052       8.14219683       0.70743094      -0.36028058      -0.10201010
Cl      11.85549050       2.15274880       3.56895279      -0.17813615       0.01546044      -0.07422113
Cl       7.00551639       8.68532422      12.60501868      -0.03468270      -0.34931468      -0.01299243
Cl       6.90077641      12.68447441      12.70167977      -0.05687118       0.05908708      -0.34393525
Cl      12.86646391      13.00309095       0.08102009       0.38739501      -0.06857342       0.12320420
Cl      15.78272420      10.98100128       2.40660716       0.54307451      -0.36872119       0.42031734
Cl       4.42723660       4.15679189       1.98450454       0.21330912      -1.11125961      -0.26437694
Cl       9.93120471      10.34594269       4.90411384       0.78319906      -1.41156496       0.99650752
Cl       2.40921019       7.61297340       2.33388120      -0.02325738      -0.29864563      -0.18434097
Cl       3.62886997       0.20854987       3.23554346       0.61983669      -0.38252548      -0.38828922
Cl       3.21011635       7.47529881       8.52152415       0.30411564       0.35869528      -0.19956145
Cl       1.87579652       6.98261295      11.21986051       0.34287687       0.63896875       1.22730154
Cl       3.40227987       3.35155264      10.23601252       0.09488596      -0.91238551      -0.15024534
Cl       4.46380592       8.59405965       4.64058937      -0.45436645      -0.75111076      -0.06896003
Cl       0.60974259      12.68120476       5.98387693       0.41867843      -0.08453279      -0.31637643
Cl       0.48914320      14.00160476       9.94933065       1.28567245      -0.53748621      -0.44102393
Cl       7.92812982       1.87290780       2.16758921      -0.44907010      -0.02578953      -0.18902656
Cl      10.22209269       5.86085229       5.50569818      -0.14599173      -0.14753573       0.14782177
Cl       8.38773822       3.51884457       8.93115131       0.24601970       1.37070205      -0.50398920
Cl       6.56347841       0.51725269      10.52550375      -0.32223421       0.21323400       0.06883679
Cl       9.96467897       6.49376815      14.60974427      -0.48870389       0.52189120       0.16173588
Cl       6.15961282      13.35645151       0.69856763      -0.49947834       0.47412347      -0.00154318
Cl      13.55075776      15.60730576      12.75993038       0.40757863       0.06462727      -0.88405497
Cl       7.04784728      11.38973960       3.20187873      -0.01096177       0.22636884      -0.09746910
Cl      10.20861728       8.62808943       8.66489683      -1.08637168       0.50273603      -0.90176508
Cl       6.70050225      10.07483135       9.12860023       0.42980230       0.13249493      -0.27726883
Cl      10.00094672      15.44752132       8.58031441      -0.73004396       0.32266363       0.30308649
Cl       8.82149097      10.55826377      14.76010067       0.70009091       0.20757582       0.34392760
Cl      14.36180620       8.57640987       9.77383284       0.31937040       0.47230104      -0.12175912
64
Lattice="15.8726 0.0 0.0 0.0 15.8726 0.0 0.0 0.0 15.8726" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.79384503 stress="-0.004207094887350387 0.0026983074986085833 5.3450542773018105e-05 0.0026983074986085833 -0.0036920836337296778 -0.0013119932613611634 5.3450542773018105e-05 -0.0013119932613611634 -0.0011817163322821594" free_energy=-214.79384503 pbc="T T T" config_type=density 
Li      13.66603877       1.14342718       3.35408672       0.00196779      -0.15713095       0.01176592
Li       9.46787892       9.91777189       7.12797197      -0.04744462      -0.15955136       0.99991645
Li       9.19739394       8.59123522      14.50954047       1.64423306      -1.47941427      -0.67122120
Li       8.14038989      11.91802107       4.09865452       0.33430748      -0.63999610       0.16932253
Li       6.81231358      14.17748568      11.07850339       0.22011161       0.50204693      -0.37364498
Li      15.83372800       7.62305424      10.75841653      -0.28542627      -0.10411899       0.08800629
Li      14.02247387      11.60491817       0.84616354       0.08186651      -0.30512748       0.28775210
Li       8.11351758       1.40693457       9.70649172       0.08666094       0.26788131      -0.49646121
Li       9.25983675       6.47910008      10.50250261       1.08395474       0.77530408       0.22899528
Li       9.19433053       4.41194790       7.07568763      -0.45336808      -0.05293124       0.25260523
Li       8.17210335      10.60576974      11.65894850       0.60725433      -0.59445833      -0.40500435
Li       6.31746940       3.99443503       2.07027909       0.82380212      -0.34415909       0.45801365
Li      15.33569343      11.80713509       4.66976654      -0.06776592      -0.32118137      -0.52547602
Li       9.87031282       1.95171077       3.44821124      -1.25734734       0.31646308      -0.16598764
Li      15.01760653      15.31613839      11.13431145      -0.60143113      -0.15919188       0.16663482
Li       3.71653754       8.45477848      10.71249710      -0.03212259      -0.14229142      -0.53515588
Li       1.55026097      15.67898603       2.62339158       0.40879939      -0.09799487      -0.13782329
Li       3.47755968       6.33778633       1.26677316      -0.13513866       0.24594219       0.17452530
Li      13.25101789      14.38036926      14.32267236       0.06020411       0.56347987      -1.17805822
Li      11.37728921       6.82777349       5.29257562      -0.17513170       0.61249998       0.19616971
Li       4.44442324       7.44612237       6.36832521       0.01521169      -0.17952351       1.37129045
Li       2.61982025       5.19791143      11.20294457       0.02195577       0.01939945      -0.14899534
Li      13.12022767       2.08542155      13.14697300       0.88846181      -1.18634285      -0.44558178
Li       6.97524582      11.82297594      15.27204431       0.04799392      -0.14278716      -0.39458478
Li      11.25038777      14.74531208       9.85223393      -0.22415606      -0.13036993      -0.01021674
Li       4.81687379      14.49735032       1.12631811      -0.02024673      -0.02419205       0.06434950
Li       5.25098940       9.84717057       3.91369111      -0.60586504      -1.38168615       0.33019374
Li       0.92923438       9.39848391       2.14419779       0.04978873      -0.12893264       0.06131643
Li      12.18129989       8.02375803       9.36291342      -0.93764429      -0.43602592       0.48548871
Li      15.76880907      13.84092307       7.94282364       0.56217072       1.27919074       2.13541129
Li       4.70547989       1.74398605      11.02433020      -0.05297895       0.00985600      -0.12756050
Li      11.61534646       5.61412275      14.33184672       0.34043024      -1.10732622      -0.72334253
Cl      12.06393788       3.60727057      13.64448377      -0.94704391       1.11183504       0.54937281
Cl       4.67851234       4.68744861       1.13302428      -0.52619078      -0.19779250      -0.62426127
Cl      11.04118690       7.40590120      14.84216668       0.02024184       1.30143903       1.38129248
Cl      14.02128343       0.10938618      13.03548386       0.64098161       0.85229309       1.06601077
Cl      15.61352742       0.58535292       3.10899791      -0.03711585      -0.03477050       0.09691155
Cl      12.95747003      13.24404982       0.07931348      -0.25005464      -0.47147154       0.92340625
Cl      14.23951580       8.24668869       9.71060272       0.48933222       0.80749158      -0.68875776
Cl      15.28944068      12.85707583       6.40753053      -0.67115466      -1.00543969      -1.62687143
Cl      11.91276724       6.20112324      10.69500550      -0.42526434      -0.76239890      -0.04986585
Cl      15.10409633      10.64837180       2.74230910      -0.18670162       0.21550073      -0.21130904
Cl       8.73302516      10.98683912       9.37265919      -0.08346051       0.31549236      -0.44850589
Cl       6.26862941      13.84736735      15.72311185       0.57055305      -0.26727471      -0.44325173
Cl       4.25020610       7.87180963       4.40626551       0.08340439       0.42379664      -0.98108186
Cl       3.92600825       7.83785813       8.53752234       0.10285797       0.04540761       0.12066547
Cl       1.89777567       7.22135048      11.45139838       0.72445127       0.24044980       0.56003100
Cl       3.30267537       3.23826436      11.24208640      -0.42959520       0.09838422       0.13780090
Cl       3.61403229      15.37859707       2.54774277      -0.05829383       0.12283615       0.45385003
Cl       2.45684039       8.18072217       1.39208257      -0.16781797       0.39681416      -0.27238552
Cl       0.56214400      14.95911600       9.64893767       0.68745051       0.09386821      -0.30340686
Cl       7.79952581       2.70013560       2.89613047       0.39914896      -0.33704022       0.20910132
Cl      11.89079956       2.11445254       3.48028977       0.17696049       0.38085070       0.12087650
Cl      10.04435588       5.25081481       5.11770718      -0.28501392      -0.51041708       0.25684459
Cl       6.41675251       0.58318472      10.88449260       0.28883850      -0.71854473       0.29380722
Cl       9.92834305       9.84320242       4.89569713      -0.32299456       0.42344236      -0.01162266
Cl       6.11128432      11.55514169       3.35488035       0.61577514       1.20295697      -0.36436487
Cl       9.29843891      15.45029360       8.98166944       0.21068661       0.10930454       0.18048814
Cl       9.98588122       8.11448581       8.71704145      -0.02098570      -0.43495370      -1.11379075
Cl       7.73616239       9.86007499      14.48693789      -1.81908801       1.68251483       0.37657461
Cl       6.82124985      12.30612202      11.96830547      -0.46349428      -0.15985932       0.65499574
Cl       9.61016091       8.17200811      12.16837959      -1.06300455       0.27834873      -0.33095440
Cl       7.37410838       3.45657610       8.69429601       0.84250573       0.15203226      -0.25494366
Cl      13.03080144      14.17642222      11.00296568      -0.47902154      -0.67242594      -0.79929877
64
Lattice="15.876 0.0 0.0 0.0 15.876 0.0 0.0 0.0 15.876" Properties=species:S:1:pos:R:3:forces:R:3 energy=-212.28990022 stress="-0.0059054179215745056 0.003953514211708563 -0.00012130882293298785 0.003953514211708563 -0.007324598716301529 0.0008269189319080596 -0.00012130882293298785 0.0008269189319080596 -0.002440921225056488" free_energy=-212.28990022 pbc="T T T" config_type=density 
Li       6.53997532       3.84345259       2.41377116      -1.02594255       0.78523291      -0.92747821
Li       9.75808814       3.80746170       7.01871610      -0.53847047      -0.39276184       0.55606830
Li      15.21908287      11.30050505       4.24890976      -0.11646273       0.31820197       0.19780380
Li       7.43979524       1.61884397       9.28025230      -1.62716817      -3.86168824       1.72372302
Li       9.67616798       6.75145951      10.54298171       0.69506299       0.20013567      -0.14879847
Li      13.88692771      12.16808082       1.27570010      -1.20681650       1.92619211      -1.10431744
Li       7.49632968      12.76365308       4.20209143       0.01085166      -0.68124901       0.01935309
Li      12.74769770       6.22248707       4.87374149      -0.99892817      -0.30964885       0.70382638
Li       9.87226834      10.25753123       6.47601091       0.01821076      -0.49342500       1.65250818
Li       6.18811553      14.12387701      10.55426954       0.13985717       1.05064646      -0.36361229
Li      14.16820280       2.43334627      13.22634323      -0.07480048       1.71633334       0.47746262
Li      10.17489665       9.38143004      13.71065648      -0.36324836      -0.46440639      -0.05568706
Li      10.47528644      15.11738122      11.81766575      -0.94408975       0.18877851      -0.12513395
Li       7.67098156      10.42559456      10.93677001       0.51044479      -0.01309607      -0.80398989
Li       6.91828452      11.43092639      15.59374060       0.77604330      -1.57964843      -0.74895958
Li      12.89758302       6.05793233      14.03239950      -1.15678150       1.26066627      -0.25678446
Li       9.48886294       1.85769839       2.95614295       0.82533461      -0.61925828      -0.49135811
Li      13.16245820       0.35416657       3.07157735       0.44246174      -0.28531280      -0.04672590
Li       1.01664189      15.51380494       2.10053768       0.02514790       0.05598180       0.02487048
Li       3.37834930       6.57142567       2.13927512       0.86338905      -0.87429087       0.07723341
Li      15.54414397      13.26962120       7.68118982       0.04896809      -0.79153272      -0.47447188
Li      12.52729120       8.81780029       9.37942967       0.29567287      -0.16338046       0.51883866
Li       0.41273790       9.34647109       2.08494745       1.74285650      -1.62219431      -0.31076134
Li       5.16389126      10.06792416       4.76460986       0.13316102      -0.32551685       0.22444280
Li       4.51345154      13.87757675       0.87655047      -0.05645269      -0.12048328       0.19089889
Li       4.12623590       7.53938539      11.04537773       0.21756767      -0.21368136      -0.60590694
Li      14.79414586      15.55808310      10.84932500      -0.46827818      -0.22268848       0.06119353
Li      13.54044989      14.48877100      13.81704156      -0.06118875      -0.23033380       0.43525394
Li       3.86234503       7.18452504       7.33726804       0.18781740       0.16626924      -0.35206687
Li       4.47942928       1.79341646      11.05182338      -0.21529302       0.31017706       0.25649332
Li       0.26005523       7.86643099      10.63734865      -0.49085053      -0.13107594      -0.02970343
Li       2.32634203       4.90400114      11.67862374      -0.54924745       0.67204878      -0.45973458
Cl      10.98714456       5.05215598       5.89364748       1.03176134       0.57657380      -0.81912345
Cl      11.94554693       7.02335189      10.74059028       0.10085699      -0.40418534       0.23272778
Cl      14.97470360       9.39787758      10.04207803      -0.70497101       0.65275221      -0.49235637
Cl      14.86800101      15.17102622       2.60320360       0.40598549      -0.54341766      -0.01388693
Cl      14.22334015       0.49570746      12.81710758       1.22966398       0.00414365       0.11248557
Cl      14.82423088      12.68986144       5.83935156      -0.17699684      -0.38950998      -0.89526981
Cl      14.88682994      10.65301826       2.04663866      -0.67541929       0.11330393       1.01349754
Cl      12.92220670      13.60576375      15.72560665       0.20388038      -0.32380229       0.39278982
Cl      14.25601296       4.56184159      14.00498165       0.86671290      -1.13884530      -0.10005474
Cl       5.04007434       5.20686760       2.17759979      -0.62594443       0.42871801      -0.18033008
Cl       8.49615253      10.64504851       8.74410390      -0.05639121       0.23440092      -0.63179369
Cl       9.18544082       0.05905872      10.41533867      -0.48327218       0.26204258      -0.29205930
Cl       4.26469050       8.17971210       5.54713790      -0.01597867       0.29977411      -0.50096712
Cl       3.59775562       6.18981426       9.10066298       0.83904685      -0.61085060       0.07696336
Cl       2.03100080       7.04319689      11.29969537      -0.31137087       0.22059447       1.73969572
Cl       3.43705874       3.35718659      12.28678567       0.65232663      -1.06524463       0.22747382
Cl       2.89348038      15.18853745       1.21514745      -0.03528887       0.21481451      -0.10637318
Cl       2.17031270       8.16175634       2.21662300      -0.84553562       0.97286417       0.06112365
Cl      15.62529256      14.45522501       9.23621227       0.35188295       0.96990442       1.10636510
Cl       7.86420835       2.82484843       3.33610326      -0.07672407      -0.32341729       1.46749364
Cl      11.37177241       1.18603881       3.28949132      -0.21030337       0.25296970       0.31074443
Cl       8.39481602       2.98960956       8.68785523       2.54797331       4.08272428      -1.99949990
Cl       5.48088736      11.84386115       3.63582626      -0.09511057       0.46158359      -0.02849476
Cl       6.44678320      13.15231344       0.55582194       0.08962003       1.30500946       0.39640767
Cl       8.98167236      11.17184594       4.84233876      -0.32902835       0.62269562      -0.89210570
Cl      12.30656717      14.38660894      12.10217954       0.32614868      -1.39729468      -0.62350384
Cl      11.17027422       8.57808857       7.75107598       0.02181643       0.14047579      -1.16263338
Cl       8.23988214       9.74622877      14.90961200      -0.13912793       0.33915483      -0.05806608
Cl       6.64004174      12.29950235      11.06571488      -0.31725747      -0.92894289       0.91385130
Cl       8.73807102       8.54654296      11.16921053      -0.27171685      -0.34966985       0.95576475
Cl       5.83252488       0.37081256      10.18273939      -0.68322654       0.20211015      -0.10093044
Cl      11.46494866       7.72888133      14.60384024       0.34715995      -0.13642086       0.07558460
64
Lattice="15.8725 0.0 0.0 0.0 15.8725 0.0 0.0 0.0 15.8725" Properties=species:S:1:pos:R:3:forces:R:3 energy=-212.16548224 stress="-0.0062450405779881915 0.004145726827971949 0.0017759775626854538 0.004145726827971949 -0.007606749232125608 -0.0026205082919657095 0.0017759775626854538 -0.0026205082919657095 -0.003026514160204628" free_energy=-212.16548224 pbc="T T T" config_type=density 
Li      11.50976878      15.15388844      10.81918805      -0.52937457       0.13003390      -0.29289328
Li      11.59884525       6.26459005       5.09383444      -0.16554765      -0.09255882       0.42955752
Li      15.04919343      11.60560693       4.73795712       0.00071208      -0.01776579      -0.08512654
Li       7.85185592       1.25359576       9.45934335       0.88981825       0.29566684      -0.29363814
Li       9.21300215       7.02500978      10.87577351       0.91846535      -2.00907570      -0.66542465
Li      13.77515547      11.25176129       0.91919393       0.65608469      -1.54973174       0.90752378
Li       7.91291742      12.22539631       4.51059943       0.96613281      -0.26445985       0.64836088
Li       6.41956914       3.82444713       2.51415638       0.41144132      -0.42203717       0.15720059
Li       9.44056619       9.98810395       7.48564560       0.23339274      -0.35120400       0.73360546
Li      12.91953248       2.20432518      13.47841908       2.24657862      -4.12281179      -1.71182121
Li       9.35555308       8.71228827      14.04287692       1.06759938      -0.39072330      -0.68563594
Li       6.48053541      14.25042574      10.87491640       0.55573259      -0.72407963      -0.06198723
Li       8.23957348      10.78477647      10.71004874       0.38717143       0.33522232      -0.61900654
Li       7.01004201      11.59171850      15.31993066       0.14474376      -0.38790400      -0.34432842
Li      15.86092895       7.44244065      10.48416719       0.14003382      -0.22345244       0.34949791
Li      11.90583527       5.83971497      13.64117570      -0.08035100       0.74747562      -0.45844325
Li       9.94124833       2.43341297       2.80944837      -0.82056338       0.37414034       0.22783352
Li       8.79382530       4.75317885       7.00337556       0.22629022      -0.49495704       0.37341796
Li       4.85447715      14.19822108       1.27301418       0.97172415      -0.57581507      -0.06609069
Li       3.52361564       6.48010685       1.21260186      -0.06148754       0.19441118      -0.06602508
Li      15.14549188      15.29526479      11.41718448      -0.62233302      -0.24821928       0.01888930
Li       4.44934746       6.88866500       6.59275398       0.06153701      -0.08835727       0.56842953
Li       2.79803604       4.96987022      11.41872412      -0.46492204       1.06292934      -0.46622438
Li      13.41919878      14.12425523      14.28467859      -0.18732044       0.28026630      -0.89021335
Li       4.85573107       1.80276681      11.07748124      -0.96317110       1.07894061       0.22364987
Li       4.13197682       8.00075584      10.56859302      -0.18482175      -0.33509103      -0.23458951
Li      13.66700025       0.98529179       2.72326070      -0.80483558       0.62595457       0.10206844
Li       0.80491352       9.21681156       1.72327732       0.74280195      -0.51649266      -0.41911849
Li      12.31471087       8.31153939       9.80757013      -1.01698431       0.36358049      -0.29263648
Li       1.29971966      15.79535965       2.00979182       1.21421852       0.16040697      -0.49686620
Li      15.49076637      13.79436119       8.03277067      -0.06647271       1.14157948       1.53898473
Li       5.23870275      10.37236130       4.37827040      -0.20097304      -0.75597947       0.37938566
Cl      13.67803164       0.20361084      12.98291138       0.84237488       2.27951989       1.83835237
Cl      11.26480848       7.84230067      14.72744198       0.13472252      -0.37158681       0.22313035
Cl      11.94524669       6.89496638      11.24766618      -0.49645568      -1.67906955       1.53338285
Cl      14.30740801       8.52273888       9.65716232       1.51419664       0.63111209      -0.65868806
Cl      12.15035113       3.65359554      14.08368512      -2.26870122       4.25234307       1.86609959
Cl      15.37703991      12.56005210       6.61310253      -0.09422971      -1.71538652      -1.98610174
Cl      15.30823263      10.39020199       2.78809986      -0.74326675       0.49171675       0.04673465
Cl      11.02414964       4.55415357       6.26836770      -0.29825896       0.32865402      -0.29763223
Cl      15.35585013       0.02888795       2.59662989      -0.49735388      -0.73043971       0.53017319
Cl      13.11701813      12.88729544       0.13697253      -0.53617135       1.31936279      -0.42860464
Cl       4.99291709       5.16070529       1.94382571      -0.38864965       0.25288756      -0.11038996
Cl       9.22771596       8.89988535      11.11251185      -1.53245335       2.45949107       3.37840391
Cl       4.55115367       6.53939064       8.85499792      -0.21327798       0.28474052       0.27917845
Cl       1.67342180       6.80682639      11.86402710       0.40064763       0.33888925      -0.31735847
Cl       3.51836184       3.21049883      11.96261120       0.31969608      -1.06357654       0.50104180
Cl       3.16535744      15.05732015       1.75108595      -0.58321608       0.44270513       0.24581338
Cl       2.30035381       8.10930787       0.51098022      -0.34750800       0.24597508       0.12559608
Cl       4.55974069       8.33518942       5.06321639      -0.06269380       0.27574806      -0.36627651
Cl      15.81727513      15.31483559       9.38126653       0.42669688       0.68810359       0.28839351
Cl       7.96629664       2.95766578       3.70865724       0.26419789       0.00246972       0.03862527
Cl      11.66835093       1.36506040       2.76189436      -0.09516300      -0.19692968      -0.08074428
Cl       7.58573758       3.65107181       8.66651198       0.20240445      -0.14311804      -0.15654214
Cl       6.08607204      12.05525899       3.55512255      -0.56633183       0.47622874      -0.35395343
Cl       6.56065979      13.29086962       0.55627081       0.51134046       0.37173151      -0.30224597
Cl       9.49061218      15.40059470      10.07094252      -0.39571730       0.51324495      -0.10295109
Cl       8.88988567      11.67703318       8.63286228      -0.30173148       0.36960199       0.79830160
Cl      13.03862385      13.97937105      11.57363972       0.24486183      -2.69325760      -0.85431373
Cl       9.38464737      10.90162981       5.61192872      -0.07932154       0.18300747      -1.72903696
Cl       7.66867140       9.70917651      14.50271912      -1.11470401       0.44688151       0.35977028
Cl       6.62630845      12.15117650      11.11135316      -0.85180022       0.04063434       0.59066312
Cl       6.20449676       0.44377288      10.62779744       0.33205007      -0.47156987      -0.18842668
Cl      10.36090135       8.39836196       8.86117232       0.60849590      -0.85000670      -3.21873027
64
Lattice="15.8771 0.0 0.0 0.0 15.8771 0.0 0.0 0.0 15.8771" Properties=species:S:1:pos:R:3:forces:R:3 energy=-211.92715725 stress="-0.007375816496497963 0.0032489541617458113 0.001248128404845589 0.0032489541617458113 -0.005427491362130854 -0.0008049091300284189 0.001248128404845589 -0.0008049091300284189 -0.004087983468844786" free_energy=-211.92715725 pbc="T T T" config_type=density 
Li       9.84943837      10.19657528       6.50659435      -0.46034173       0.22765334       0.79250508
Li       9.77610205       3.75309241       7.16871705       2.88204518       0.77601840      -2.45486789
Li      13.20620661       0.34750685       3.00736090      -0.29698894       0.06965409      -0.00379832
Li       7.42257600       1.58080187       9.34908744       0.99082495       0.05013466       0.01212226
Li       9.61761683       6.87751516      10.42155379       0.47643913       0.82084718      -0.01820800
Li      14.99739752      11.20599367       4.14868623       0.11570875       1.07252471       3.80450726
Li       7.36322740      12.62589860       4.17445476       0.03443709       0.46912290      -0.20255698
Li       6.47201403       3.73041991       2.42678298      -0.51418384       0.50682186      -0.26011023
Li      13.99225007      12.19791549       1.14344175      -0.48785522       0.77508632      -0.57246517
Li      13.02457258       5.85158459      14.19955737      -1.01508495       1.08088385      -0.04648947
Li      10.17422033       9.22396002      13.76606491      -0.69819624       0.50451959      -0.85146568
Li      10.48274414      15.21580291      11.86633814      -0.96464091       0.18868386      -0.26746256
Li       7.65231764      10.48417307      10.80543032       1.30895049      -0.98707577      -1.19294893
Li      14.22184882       2.63682114      13.13658552      -0.25676321      -1.73890649      -0.98454462
Li       6.89994950      11.27547186      15.53491674       0.17470748       0.19704815       0.01610137
Li       6.13786458      14.15597473      10.58464336       0.59209703      -0.92202342       0.17202199
Li      12.71430229       8.86531220       9.30818803       0.09559297       0.24137824       0.00458152
Li      15.60895166      13.20234847       7.67689539      -0.11950688      -0.14571449       0.15207881
Li       0.34016052       8.00035955      10.69921252      -0.79368507       0.64848683      -0.38860136
Li       3.40503462       6.48163555       2.17830637      -0.15113879       0.16482137       0.25274089
Li      14.76795755      15.59942540      10.86623961      -0.24086003      -0.53224881      -0.63520405
Li       3.85159393       7.28609645       7.38858313       0.15741348       0.69369709      -1.24303134
Li       2.03906420       4.94849514      11.81723027       0.25528146      -0.33651353      -0.09209892
Li      13.60519813      14.66967830      13.88917594      -0.24018233      -0.02264188      -0.33052441
Li       4.40805454       1.65928397      10.98623873      -0.13066791      -0.01507110      -0.02367684
Li       9.65818282       1.84020352       2.86013255      -0.03186072       0.15246182      -0.48775845
Li       4.13226931       7.59851015      11.18108250       0.76517442      -0.21944959      -0.78687516
Li      12.80337283       6.17876399       4.87317418      -0.76920527      -0.25684168       0.64259900
Li       5.19060504      10.22913922       4.71265670      -0.15784877      -1.34491099       0.98258756
Li       0.52364740       9.23994826       2.16295321      -0.53933602       0.44949187      -0.29159936
Li       0.99100254      15.55978028       2.08893417       1.22571436       0.13694303      -0.28514876
Li       4.35446932      13.87891933       0.87815605       0.78667784      -0.72890284      -0.06468767
Cl      14.91088320      10.68722531       2.40671433      -0.57516359      -1.00205871      -3.50659967
Cl      14.12971401       0.62626110      12.57963273       1.00617103       1.49979262       1.18253730
Cl      11.15307530       7.85084490      14.87163501       1.49792304      -1.52582800       0.51253518
Cl      14.44036534       4.29793097      14.01081040       0.65522757       2.02157403       1.12675649
Cl      15.01335401      15.50346421       2.64104445      -0.39312043      -0.60695322       0.26957271
Cl      15.72410826      14.42478991       9.41913721       0.40835376       0.01223207      -0.10310147
Cl      14.87895435       9.59926291       9.93399981       0.35853313      -0.28026035       0.02357925
Cl      15.08468982      12.56862990       5.70470554       0.01873747       0.19106284      -0.01848089
Cl      11.31035385       4.80887193       5.83283374       0.44659192       0.20047805      -0.34328255
Cl      12.11911745       7.11722762      10.46451722      -0.50095958      -0.75932296       0.56786735
Cl      11.33977412       9.06001308       7.62264334       1.04399378      -0.61273151      -0.97039908
Cl       5.03450139       5.31884438       2.00243573       0.73029454      -0.65528573      -0.19127858
Cl       8.31490078       8.55997969      11.30895667       0.18135714      -1.60408475       0.66961438
Cl       4.06577601       6.24165318       9.10235731       0.20278637      -0.25926484       1.18444647
Cl       2.09874622       7.14675902      11.59944409      -0.50700842      -0.04476563       0.78456802
Cl       3.25474199       3.11219739      11.91693846      -0.52692900       0.50726263       0.31071610
Cl       2.87591439      15.12876465       1.36532105      -0.45168720       0.67662715       0.04385673
Cl       2.03185600       8.03708328       2.24826087       0.57737077      -0.52080899      -0.03616117
Cl       4.03516496       8.32780886       5.35604442      -0.02933898       0.03635553       0.27156487
Cl       7.84806641       2.53998670       3.37083535      -0.55727517      -0.04799111       0.56175644
Cl       8.39671547       3.44080573       8.30824827      -2.99068205      -0.79584096       2.47461433
Cl       5.86050752       0.32729371      10.25965500      -0.86353838       0.44219893      -0.32818879
Cl       8.93202778       0.10124811      10.58111865       0.08913392       0.27474616      -0.13948005
Cl       5.59905932      11.71625191       3.46940038      -0.74719277       1.04985737      -1.20233529
Cl       6.31891115      13.29919878       0.38313348       0.31554543      -0.08903518      -0.26811417
Cl       8.47289380      11.14129449       5.01194003       0.70919189      -0.54651803       0.21948256
Cl      12.34573130      14.47759714      12.03384154       0.14453296      -1.62567070      -0.25803858
Cl       8.92878885      10.44079684       8.75934844      -0.68049852       0.56721314      -0.13444459
Cl       8.33090490       9.96826259      14.62206288      -0.37268868       0.23968127       0.19704734
Cl       6.69967576      12.13432771      11.17447763      -1.44189621       1.89493864       0.61254687
Cl      11.33474108       0.91896178       3.41967331       0.02332033      -0.19381947       0.53321288
Cl      13.00960048      13.75544313      15.73452364       0.23619616      -0.41975883       0.60590805
64
Lattice="15.8956 0.0 0.0 0.0 15.8956 0.0 0.0 0.0 15.8956" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.88547482 stress="-0.0022955345823006536 0.0028317188948460783 -7.260584038600897e-05 0.0028317188948460783 -0.004494003555241492 0.0009009925817536934 -7.260584038600897e-05 0.0009009925817536934 -0.002060596071082053" free_energy=-213.88547482 pbc="T T T" config_type=density 
Li       9.94814999      10.56300769       6.76356190      -0.63043174       0.12749277       0.81396886
Li      12.41430464       4.04811656       4.59297004      -0.17214874      -0.25183272      -0.26303065
Li       9.27702186       4.20487896       6.72894129       0.77875472       0.52592498      -1.39294487
Li       7.16417871       1.85973751       9.22512273       1.28353075       0.22904287      -0.25675198
Li      15.23693402      11.19015270       4.57790101      -0.53078089      -0.26893787      -0.16370073
Li      14.43899080      11.75560688       1.02456679      -0.08511095       0.03464193      -0.02909557
Li       6.59462347      12.93758780       4.70794291       0.08518227      -1.12714379      -0.13003729
Li       5.74846889       3.31143497       2.91679491      -0.75847792       0.44923790       0.08246604
Li       7.30611052      11.58368007       0.35612184       0.35592162      -0.61696257      -0.14169465
Li      11.76674969       5.28705141      13.61494700      -0.59269985       0.82358297       0.17640580
Li      10.60662522       8.39727988      10.18901602      -0.98945751       1.04492130       0.12605850
Li       6.62625571      14.64059469      10.92262975       0.93224514      -1.49094250       0.21235789
Li       9.69647496       8.20375095      15.68593704       0.52752303      -0.61014722      -0.34216265
Li      14.30820180       2.43309181      12.80822940      -0.07030424       1.62027029       0.29147830
Li       8.34569866      10.87173204      11.58399798       0.65885646       0.60438722      -0.84634149
Li      10.72730462      15.43257707      11.19199659       1.86888884      -1.32136362       0.98126456
Li       0.15116716      13.52049534       7.38441225      -0.00928528      -0.16703391       0.30333638
Li       0.19519797       8.52447647       2.13050316      -0.56345960       1.19626462      -0.06298732
Li      15.82635479       8.35509296      10.52266466      -0.06690653      -0.18565837       0.52776196
Li       2.50416103       5.56082133       3.01189829      -0.29118982       0.59598841      -0.07101176
Li      13.88444100      14.58279829      14.00464353      -0.67871001       0.58547024      -1.53669141
Li       4.08459696       7.49523637       7.79782501       0.21479031       0.10812547      -0.53955322
Li       2.38710583       5.41637801      10.73126262      -0.94123976       1.48052670       0.54190066
Li      14.98455958      15.68781272      10.63237609       0.17077366      -0.80924605      -0.86737805
Li       4.52151932       2.17725212      10.57187744       0.22921935      -1.15211659       0.34258603
Li       9.72605667       2.22217309       2.49072925      -1.02991789       0.13537160       0.13286385
Li       4.54606212       8.04024881      11.62634386       0.63072623       0.48168695       1.05900752
Li      13.10926028       0.43003638       2.57213062       0.71731097      -0.90203709      -0.26701101
Li       4.74617183       9.62535804       4.69873936       0.45485154       0.68138594      -0.16526113
Li       0.96225445      15.61714088       1.43602281       0.12958196      -0.04239858      -0.07517863
Li      13.29371282       8.80222029       8.23859411       1.34427936       0.30524500       0.95020577
Li       4.71422167      14.13621141       1.20525526       0.46293628      -0.36979147       0.11600987
Cl      14.36275550       0.49094991      12.48043034       0.45864776      -0.51091825       0.72543331
Cl      14.73541195      10.28167147       2.66149568       0.00624548      -0.21882232      -0.27078431
Cl      11.41388327       6.93210295      15.08341432      -0.21156384      -0.19885261       0.10998433
Cl      14.97982269      15.35115980       2.38764628      -0.13525357      -0.16325199       0.21984225
Cl      15.27287397      10.26151585       9.69526689       0.03678373      -0.31095490      -0.40465340
Cl      13.54316247       4.29123976      13.55285879       0.71068908      -0.57538937      -0.05773061
Cl      11.87329790       9.41806352       7.03704570      -1.01380993       0.61367253      -1.69903482
Cl      12.45531529      14.05811633      12.01848831      -0.39317682       0.12957682       0.00932162
Cl      12.60082361       7.72162151       9.89798348       0.36379376      -0.99402251       0.72043374
Cl       0.62040527      12.02216019       5.88777793       0.58700752       0.35952319       0.37056625
Cl       3.84334944       4.21239758       3.60208602       0.92378711      -0.92151839       0.30364455
Cl       7.04041557      12.44692242      11.34348165      -1.07963852       1.38754349       0.16673336
Cl       0.93334195       6.70031331       2.24976785       0.00936719      -0.90115543      -0.13147224
Cl       3.81222585       7.50102237       9.86469809      -0.64123469      -0.49710034      -0.43581230
Cl       1.04737380       6.62692333      12.15867160       0.15180081       0.16493850      -0.67783826
Cl       3.54751643       3.83430484      10.36865219      -0.08916112       0.35197014      -0.48824215
Cl       3.04259269      15.43928501       1.03022722      -0.02954278       0.22101820      -0.10832631
Cl       3.94064640       8.00682036       5.72910805      -0.36509157      -0.61336496       0.03689523
Cl       0.41009376      15.01830594       8.94267381      -0.13567511       0.31926196       0.15244361
Cl       7.43079561       2.15119923       2.95065254       1.19144179      -0.43311599      -0.12369416
Cl      11.78351955       1.88699847       2.91800298      -0.28256502       1.18566801       0.52169150
Cl      10.54959181       4.89319023       5.14209944       0.19830894       0.04196733      -0.32112149
Cl       5.96035724       0.65492097      10.53366442      -0.84499759       0.56506162      -0.01386214
Cl       9.15966465       0.27456311      10.35701661      -1.68547007       0.90917844      -0.96331080
Cl       5.18339620      11.31353434       3.39320194      -0.14241782       0.37144794       0.03053011
Cl       6.84078273      13.42351629       1.26405308      -0.20502413       0.77941859       0.14803585
Cl       9.24392722      10.66051130       9.29369635       0.55804377      -0.35343572      -0.44318626
Cl       7.70330978      11.39943417       6.02529076       0.16109307       0.36481152      -0.35777163
Cl       8.74787323      10.00305339      15.59247091      -0.65389245       0.91184036       0.25898870
Cl       8.58554737       8.95356230      12.03858035       0.14249501      -2.12697054       0.57579168
Cl       8.35955962       3.67038941       8.32120354      -1.36306605      -0.86429530       1.80103843
Cl      14.21583247      13.11429918      15.31814464       0.33682424      -0.70768483       0.83862678
64
Lattice="15.8994 0.0 0.0 0.0 15.8994 0.0 0.0 0.0 15.8994" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.40397718 stress="-0.0037349712898769073 0.00227277549349196 0.001364333733011616 0.00227277549349196 -0.0035013808447653515 8.47140622562753e-05 0.001364333733011616 8.47140622562753e-05 -0.002436646883569355" free_energy=-213.40397718 pbc="T T T" config_type=density 
Li      15.30401517      15.33846917      10.53228724      -0.76779907      -0.07059581       1.30784270
Li      13.11166280       0.70314779       2.51515788       0.57932971      -0.61489879      -0.28911845
Li      15.04868670      11.13748200       4.60880678      -0.43152638      -0.12783957       0.03919674
Li       5.75569410       3.16000575       2.88467584      -0.26205674       0.11698080       0.08334213
Li       9.28701443       4.09309384       6.75797637       0.95682398       0.48101326      -1.08826825
Li      14.46544901      11.50153056       0.70088371      -0.43706019       0.39600788      -0.46838926
Li       7.43271511       1.95432245       9.26453268       0.92733571      -0.34513696       0.15671627
Li       4.42130515       8.21103844      11.68853931      -0.00900801       0.01999566       0.04074832
Li       7.33207191      11.59923238       0.54538758       0.88886563      -1.29759306      -0.21508018
Li      11.62599107       5.41506535      13.48970284      -0.47155152       0.57602498      -0.24267093
Li       9.72733242      11.00427683       6.89060917       2.09071809      -0.89681235       1.10201588
Li      14.11192585       2.47396254      12.86701873       0.35430663      -0.70636262      -0.30462441
Li       9.83188687       8.32635679      15.11676793      -1.69208016       2.59183262      -0.18481578
Li      12.28692912       4.09940590       4.44044803      -0.01154056      -0.42814618      -0.33886373
Li       8.21603085      10.99209789      11.41745454       0.72504459      -1.13709620      -0.65525870
Li       6.46881398      12.97445098       5.01821633       0.92208298      -0.39255285       0.88418809
Li       0.37812748      13.69057586       7.50264067       0.00971219      -1.02072100      -0.50624800
Li       9.39443078       2.15727829       2.67404059      -0.43585981       0.19222624      -0.22110245
Li      15.87017690       8.07487598      10.58488246      -1.77116524       1.59617277      -1.03363769
Li       2.80660979       5.39714673       2.98533494      -0.05607148       0.48551639      -0.12980689
Li      11.01448424      15.34726154      11.10274181       0.43115329      -0.56032599       0.33666047
Li       4.34017051       7.58194688       7.76935311       0.25499239       0.07046439      -0.29353467
Li       4.48129359       1.67581266      10.76343272      -0.54672781       0.47124189       0.07858010
Li      13.73520547      14.45831018      13.74318697      -0.09510470      -0.26458223       0.30292682
Li       2.44286331       5.48694654      10.70436645       0.19090177       0.05029484      -0.13483532
Li      10.63487017       8.50349200      10.18211885      -0.37369712       0.28082267       0.13884882
Li       6.43470977      14.62342545      11.32546061       0.82733276      -1.20582395       0.53464815
Li       5.07139982       9.71125812       4.80581624       0.46945480       0.83726650      -0.22022288
Li       0.92611143      15.66348470       1.35976439       0.14628478       0.04165022      -0.03787622
Li       0.51946997       8.66062577       2.53388738      -0.25182950       0.67366852      -0.15347769
Li      13.14908999       8.70438092       8.19351730      -0.04463870       0.34156672       0.84478237
Li       4.41399143      14.23439893       1.29854534       0.52840161      -0.57595868       0.14742965
Cl      14.47699198       0.39133352      12.61221495       1.19464454       0.53910549      -0.04282348
Cl      10.80726736       6.76226921      14.93953732       1.63169619      -2.63562503       0.05653623
Cl      15.31834053      10.50244407       2.50415550      -0.15657160       0.13939060      -0.16133685
Cl      13.28326503       4.18252796      13.43469091       0.16953733       0.50929008       0.33572542
Cl      15.37505369      10.32686699       9.59851548       0.06718059      -0.82517820      -0.16105544
Cl      11.50375648       9.58668632       6.97837386       0.56495638      -0.12322991      -0.32044915
Cl      12.74077750       7.53326292      10.40335901       0.22338011       0.08317878      -0.63050991
Cl      12.64892666      14.08158980      11.96212028      -0.84745425      -0.57300039      -0.96511136
Cl      14.84304386      15.56549670       1.98224180      -0.16864806      -0.26527885       0.05202839
Cl       3.81854300       3.78065473       3.60652450       0.46760815      -0.89068087       0.38647374
Cl       7.66605470      12.88024703      12.24377815      -0.65307997       0.80536035       0.01772311
Cl       1.38867427       6.89264429       2.76452407      -0.02436290      -0.57809846       0.00424580
Cl       3.72662857       7.53090980       9.80097844       0.55711029      -0.21188718      -0.33610557
Cl       3.39175540       3.46781813      10.28503567      -0.14880139       0.12592023       0.06894046
Cl       1.41170455       7.23250986      11.62637265       0.73212771      -0.96040565       1.63510072
Cl       2.99616243      15.69169024       1.00827476      -0.18837945       0.55928971      -0.18058838
Cl       5.40612989      11.78342693       3.75052537      -0.78481796      -0.66855320      -0.32982464
Cl       4.18038154       8.02135860       5.66567169      -0.25117868      -0.43909896      -0.02458199
Cl      15.66505079      15.35951997       8.53812089       0.13012418       0.70174155      -0.50454826
Cl       0.43133164      12.28131664       5.72413379       0.45073448       0.52614765       0.43113515
Cl       7.34751022       2.37163400       1.76979401       0.63475329      -0.23084757       0.05000493
Cl      10.44695516       4.79624480       5.11509137      -0.06689942       0.17802308      -0.26192789
Cl       8.19321521       3.61302735       8.25910232      -1.15458746       0.02892870       1.11534178
Cl       6.24814621       0.59220972      10.41998978      -0.44195963      -0.01926932      -0.04673747
Cl       9.67996810       0.60364298      10.03648035      -0.61872186       0.49828406      -0.41515693
Cl      13.31787802      12.70546493      15.10738729       0.47525481      -0.17608076       0.57345680
Cl       8.94482755       9.96321592       9.33172355       0.14836138       0.94132763      -0.87232098
Cl       7.88436937      11.34965949       6.57414751      -2.96494191       1.32958887      -1.33480309
Cl       8.57376735       9.71097193       0.33309243      -0.37030660       0.40841782       0.21088734
Cl       8.99039523       8.49929456      11.77282203      -0.27270316      -0.47197650       1.68104087
Cl      11.54468154       1.87162967       2.98493746      -0.52673382       0.99536015       0.56702814
Cl       6.27037357      13.27350279       0.81411606      -0.45234523       1.12155597      -0.07788248
64
Lattice="15.915 0.0 0.0 0.0 15.915 0.0 0.0 0.0 15.915" Properties=species:S:1:pos:R:3:forces:R:3 energy=-212.86236223 stress="-0.007429147352091983 0.0068866390676021036 4.109220490755023e-05 0.0068866390676021036 -0.00519619231857412 -0.0008802661402559894 4.109220490755023e-05 -0.0008802661402559894 -0.0038413872291600975" free_energy=-212.86236223 pbc="T T T" config_type=density 
Li       6.46807881      13.08176395       5.24848053       0.00873318      -0.61342421       0.18777947
Li       4.14891318       8.24299919      11.95518885       0.26636993      -0.05578460      -0.18230490
Li       9.59306863       2.17858843       2.19065200       0.82926877      -0.34784165      -0.25144269
Li       5.62493394       3.08378589       2.42076699       0.62907110      -0.46864299       0.00526153
Li      12.36889928       5.85905950      13.99921596      -0.42794753       0.98021181      -0.29704595
Li       8.99649486       3.70929313       6.72364188      -0.55132793      -0.38760699       0.68888606
Li       7.96658746       1.13347267       9.68865412       0.01812147      -0.23156760       0.41594436
Li       7.59236216      11.48095368      11.28319389       0.31161502      -0.60170626       0.68568604
Li      13.84273968       2.28587145      12.86901223      -0.33391726       0.64704563       0.13367015
Li       9.68442073      11.33469483       7.12511367       0.73679108      -0.80264406       1.01412617
Li      11.41423800       4.63376366       3.30161449      -0.26979371      -0.18930964       0.55965920
Li      10.07335150       8.82926004      10.05164344      -0.62311970       0.63455656       0.43197109
Li      13.20994336       0.78007850       1.91747103      -0.60113306       0.49441065       0.19063029
Li       6.46338388      14.64961426      12.30982279       0.17817374      -0.95715299       0.30296739
Li       9.38130364       8.31101989      15.00276811      -0.59307851       0.18952132      -0.61885478
Li       7.72495002      11.97256803       0.02270434      -0.16132364      -0.58742905      -0.50115686
Li       0.46967552      12.92242297       7.59656371       0.14779700       0.04571110      -0.15379883
Li       0.46683470       7.98079956       9.76148116       1.07930491      -0.84387299       0.15563869
Li       0.44395529      11.56722889       3.99125919       0.29656439       0.36749401       0.54967228
Li      14.93597286      15.01833298      10.62783010      -0.53534648       0.16668277       0.37649569
Li       0.40243465       8.74570629       2.65282361      -0.71103792       0.64621867      -0.56047482
Li       2.91647149       5.98203471       3.49829206       1.22359705      -1.02020356       0.27997797
Li       5.23291566       9.56883009       5.14062457       0.05185735       0.53135049      -0.10389056
Li       4.66506846      14.49700533       0.61325269      -0.50621187      -0.16370584      -0.19879824
Li      12.99843301       9.39971730       8.43410650       0.76354068      -0.89213311       0.81234737
Li      13.19243686      13.34986804      13.45116702      -0.15020746       0.09194504      -0.55190986
Li       4.82896113       2.03038795      11.51800380       1.62169676      -1.17961375       0.42590820
Li      14.53314830      11.97750168       0.73521571       1.14683970      -0.69692206       0.84077331
Li       2.18298097       4.73194329      11.06943952       0.40372571      -0.79562619       0.01036410
Li       1.35251399       0.07629699       1.86791172      -0.30119966       0.15461944       0.00765047
Li      10.93214082      14.88165496      10.61218566       0.46322324      -0.36910424      -0.01720286
Li       4.72589559       7.26917625       8.12236348       0.17553030      -0.19589879      -0.07621027
Cl      14.85843498       0.67011222      12.20939915       0.56247459      -0.68102248      -0.14846117
Cl      11.72314815       2.46873480       2.64483428       0.43414838      -0.29790919      -0.37643796
Cl      11.44040226      10.07516582       7.53029365      -1.22825078       0.67296213      -1.27427069
Cl      15.14522328       0.20053696       1.49276334       0.34570476      -0.29261868      -0.10397857
Cl      11.17102497       7.03476421       9.83437186       0.32767807      -0.15414312      -0.14093983
Cl      12.98867712       3.94625157      13.90063845       0.29362512      -0.97905459       0.24428961
Cl      11.14538590       7.54191160      14.45312767       1.28173854      -0.52062402       0.07252275
Cl      15.74299068      10.81171201       2.13832348      -0.06938798      -0.23994886      -0.48034121
Cl      14.77981488       9.01788462       9.45384422      -0.56657830       0.97930951      -0.02183900
Cl       6.35323617      13.69079918       0.11251905       1.56696301      -0.18564063       0.27307931
Cl       4.17789440       4.50351529       2.69133791      -0.38961980       0.14711146      -0.11801480
Cl       6.25625016      12.44420905      13.22030403       0.16048598       0.38427301      -1.27716182
Cl       1.56675536       7.37604547       3.44250999      -0.62366982       0.45579438       0.49052898
Cl       4.65653802       7.23110757      10.12564820      -0.13126260       0.02266964       1.32014481
Cl       4.74236762       7.78128912       6.17675473      -0.16224029      -0.16576595      -1.05071006
Cl       1.18511366       6.35251999      10.98972129      -1.01561187       1.88485904       0.23280152
Cl       3.38446798       3.15681982      11.03967847      -1.00422160       0.26998176      -0.51428593
Cl       3.39177297      15.61334709       1.66591854      -0.44409225       0.77018645       0.71205117
Cl       4.78159809      11.61989163       4.44704887       0.26890515       0.25621710       0.04110227
Cl      15.86392447      13.78313800       9.22145339      -0.12084031       0.69477865       1.33727591
Cl       8.08765287       9.77231928      15.55422286      -0.82912484       1.08965116       1.28191179
Cl       0.82688451      11.83733828       6.02963648       0.38942419      -1.04692335      -1.37776843
Cl      10.35084545       4.40721363       5.27727076       0.46357292       0.34367283      -0.63530498
Cl       7.59083432       2.45520705       8.20919573       0.11129547       1.08451683      -1.23684161
Cl       6.44734156       0.63343132      11.30007970      -0.99058234       0.53936135       0.51783929
Cl      12.82974993      13.83226761      11.14360343       0.07878855      -0.03912117       0.53420711
Cl       8.81880388      11.08072326       9.49087842       0.17272819      -0.08061628      -0.23162612
Cl       8.15384336      12.50654811       6.64136133      -1.49866388       1.27388312      -1.23334750
Cl       8.92010286      15.30832020      10.39639417       0.67205184      -0.83921633       0.01521850
Cl       8.63821638       9.47645943      12.43289349      -0.06666299      -0.10898120      -0.51699528
Cl       7.78692303       2.72241990       2.78671650      -1.20568143       0.24599966       0.23409969
Cl      13.16006575      12.81488532      15.60726756      -1.36927034       0.96678086      -1.13106697
64
Lattice="15.9252 0.0 0.0 0.0 15.9252 0.0 0.0 0.0 15.9252" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.10705563 stress="-0.007352365411572481 0.006715266625615712 0.0002158244262903677 0.006715266625615712 -0.007320599313291391 -0.0007337196628253283 0.0002158244262903677 -0.0007337196628253283 -0.0029657320849104728" free_energy=-213.10705563 pbc="T T T" config_type=density 
Li       6.64091988      13.11351039       4.78630293      -0.21231473      -0.51934101       0.32497524
Li       6.02832521       3.69934433       2.77740266       0.16177567       0.16775025       0.01152094
Li       8.73427149       3.04515304       6.47525002       1.00909197      -0.04382924      -1.33768690
Li       7.49650125       1.17276995       9.56152193       0.21158141       0.65312242      -0.74508211
Li       7.42552263      11.74281250       0.12600814       0.40699342      -0.80388107      -0.78920207
Li      15.19194009      15.19689283      10.96093296      -0.02807338      -1.01234692      -1.04306904
Li       9.45799221      11.35998662       6.67757969      -0.11904841       0.04684176       0.45579338
Li       9.67785552       8.51904241      10.05007522      -0.98513631       1.12868630       0.41920127
Li       6.54912702      14.69642749      12.11050944      -0.06060544      -2.28918056       0.43860433
Li       9.47157640       8.78233374      15.04034811       0.82655193      -1.35731685      -1.35059937
Li       7.43061869      11.23175691      11.22626271      -0.04110714       0.26127697      -0.54651718
Li      13.47169999       1.01491777       1.94610722       0.62609016      -0.51300041      -0.23753137
Li      11.44520236       4.51070142       3.57907722       0.00972992      -0.38683238       0.01986919
Li      14.18207538       2.67051271      12.66226985      -0.04102662       0.20496078      -0.03119905
Li      12.04773230       5.81962546      13.72355703      -0.34129315       0.28961181      -0.19039129
Li      14.72689240      11.83388872       0.90018945       0.99887375      -1.34011772       1.69299858
Li      12.55080937       8.67786443       8.26005089      -0.17107420       0.12350017       0.07389376
Li      13.39645342      13.64095301      13.49208424       0.22789613      -0.24671135       0.57222958
Li       9.57628459       2.07005305       2.23984753       0.52649113      -0.17791308       0.07209424
Li       3.72576424       8.32012074      12.09765781       0.06734096      -0.08294980      -0.52154785
Li      10.72334490      14.85612540      11.10513564      -1.32773697       0.25581053      -0.78650621
Li       0.59660736      12.52989958       8.15976990      -0.21961742      -0.35412462       0.28580606
Li       2.57418118       4.92607842      11.06830065      -0.28522792       1.19384787      -0.36448332
Li       5.02180479       7.23521649       8.16717512       0.04473381       0.22603894       0.27248496
Li       4.71833418       1.73009780      11.68436702       0.54793735      -0.66995844       0.12786409
Li       4.98610049      14.47965367       0.88231660      -1.21674438       0.95942108       0.18054645
Li       1.37054819       0.24879303       1.38281060      -0.70455910       0.13154106       0.11519366
Li       5.01865160       9.51777541       5.20473756       0.13007604       0.79192969      -0.38643382
Li       0.78372528       9.08140900       2.71124937      -0.86596096       0.94897717      -0.32659315
Li       0.35432455       7.89606451       9.67772811      -1.38039234       1.10911639      -1.25044837
Li       0.08973357      11.70900330       4.57220455      -0.90364911       0.09275216      -1.09157346
Li       2.94888521       5.90235688       3.12036776      -0.34053933       0.38934609       0.32821780
Cl      15.23328191       9.29647883       8.43312596      -0.43419306      -0.08528050       0.00648779
Cl       1.96389566       7.62541574       3.14817316       0.34508175      -0.12456568       0.33671439
Cl       4.76338657       7.71636456       6.02510832      -0.19935320      -1.42857878       0.49379097
Cl      11.22769598       9.92974440       6.80319766       0.24619745      -0.13169537      -0.03059589
Cl      14.86088703       0.67055921      12.31654968       0.16591818       1.22314834       1.24962519
Cl      11.03305819       7.54781224      14.39881736       0.39245948      -0.29742544       0.14372200
Cl       4.78799101       7.38043839      10.45747368       0.27890649      -0.17476312      -0.19433085
Cl      13.75693624       4.72968885      13.23186648       0.50572201      -0.45054566      -0.03958515
Cl      12.57007886      14.44300979      11.75536156       0.74461936      -0.33815625      -0.11326151
Cl      13.91233435      12.85619101      15.52538193      -1.34612880       1.75534636      -2.29813502
Cl      11.19543153       7.15033517       9.66618234       0.84888564      -0.18165125      -0.31708445
Cl      15.29887781       0.04984588       2.09543782       0.19243544      -0.29468159       0.11595809
Cl      15.66745064      10.94521478       2.59071154      -0.02297537      -0.07058922      -0.07900336
Cl       6.02254436      12.11375818      12.72641655      -0.06545754       1.25266407      -0.06638211
Cl       8.43315781      10.15972022      15.80717834      -0.09261539      -0.20471803       1.01592120
Cl       0.97903830      11.86984782       6.25330051       1.15264014      -0.01612942       0.77136016
Cl       7.63181767       2.42206367       2.77268880      -0.14076715      -0.50371921      -0.01590941
Cl       0.40347131      13.79979096       9.77996790       0.06104622       0.35433370       0.52593623
Cl       9.88768595       4.08709110       4.95547633       0.27781533       0.19937510      -0.29857104
Cl       7.61485733       3.05593440       8.04002832      -1.32946550      -0.36732473       1.83997266
Cl       3.32760239      15.89776088       1.01866497       1.02927031      -0.08571407      -0.22239943
Cl       6.54829891       0.66778663      11.47751459      -0.44271451       1.18483235       0.31465620
Cl       6.48122197      13.25570650       0.59079625      -0.54323937       1.93134281       0.80592344
Cl       8.55465116      10.94333561       9.22446507       0.19167810       0.21404180      -0.73191323
Cl       8.73041759      13.09420905       5.16912882       0.29434371      -0.06534686       0.05198239
Cl       3.35035950       3.13409529      11.52208923      -0.64593363      -0.01946902       0.18612840
Cl       9.06723557      15.70044765       9.86354335       0.83360663      -0.59632239       0.09779548
Cl       1.57092702       6.90785808      10.80400603       1.09581279      -1.00982468       1.59547062
Cl       8.16289124       9.47917272      12.01027623       0.66295673      -1.52276902       0.73287366
Cl       5.19495949      11.53941585       5.69071097       0.11348699       0.80781888      -0.29078674
Cl      11.79925141       2.05110206       2.32003091      -1.04131765       1.17040478       0.24025251
Cl       4.11261920       4.38000331       2.92455150       0.32022168      -1.30106588      -0.21904215
64
Lattice="15.948 0.0 0.0 0.0 15.948 0.0 0.0 0.0 15.948" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.37519113000002 stress="-0.009295330830981503 0.003903348331769641 -0.0003656054971689174 0.003903348331769641 -0.004658995627006968 0.001120814675914662 -0.0003656054971689174 0.001120814675914662 -0.0043599158290751165" free_energy=-213.3751913 pbc="T T T" config_type=density 
Li       7.00313360      12.95996677       4.94686228      -1.47153692       1.00049104      -0.29129233
Li       6.16855882       3.45550100       2.24161898       1.73177427      -1.37687760      -0.37337095
Li       8.95226627       2.90716092       6.91629674      -0.00700785       0.08378215       0.07760766
Li       7.35060863       1.00527580       9.68097823       0.50233765      -0.53462970       0.44469714
Li       7.67963182      11.85992158       0.24621798       0.44918750      -0.24067969      -0.50551452
Li      15.92042591      15.28201152      11.53115356       0.37867076      -0.93414195      -0.88607395
Li       9.80845060      10.66487414       5.68209697       0.00244033      -0.39765452       0.43290637
Li       9.40022964       8.15300035      10.04872316       0.27697342      -0.52780471       0.49716591
Li       6.02287384      14.27148245      11.33470609       0.47996666      -1.11259280       0.22286542
Li       9.82883214       9.03782729      14.93109173      -0.04664912      -0.49782322      -0.67883753
Li       7.35413314      10.55513596      11.12778079       0.15732563      -0.68705734       0.46229239
Li      13.58244911       1.25609638       1.52332904       0.86224983      -0.37455656      -0.32273670
Li      11.54778732       4.74622049       4.48862839      -0.13815576      -0.03538657       0.04410936
Li      13.88070860       2.36110140      12.34494810      -0.19011549       0.48255651       0.05575838
Li      11.97235498       5.80465735      13.29669284      -0.00481162      -0.19966183      -0.50060058
Li      14.92981589      12.25131739       1.41652050       0.08393076       0.09672330       0.15194539
Li      12.50404535       8.28827129       7.55858650      -0.49332678      -0.50706552       0.79190019
Li      13.23028537      14.01167358      14.15743830      -0.11883381       0.26182114      -0.33326624
Li       9.78288595       2.21721854       1.62661626       0.07106056       0.11429203       0.04318334
Li       2.95393640       8.61499796      11.82970012       0.42122534      -0.35689655      -0.48883441
Li      10.98601902      15.43710582      11.38594702      -0.74160571       0.02238940      -0.34373941
Li       0.30350479      12.73682236       8.44191432      -0.10556995      -0.60941217      -0.57005444
Li       2.11799009       5.05227856      11.14747657      -0.05761446       0.70486449      -0.13225595
Li       4.28915081       7.87111945       8.35837870       0.26221775       0.10347967       0.10767837
Li       4.34930666       1.87609082      11.36861154       0.20580537      -0.37442363      -0.14418624
Li       5.00607720      14.62937152       1.38302651       0.50318934      -0.56377303      -0.08654926
Li       1.57431479       0.63465704       1.60076455      -0.46232818       0.23777563      -0.06505909
Li       5.20655951       9.70930188       5.40624442       0.14185035       0.25123435       0.27482813
Li       1.25021156       9.37201763       2.82453433       0.35942685      -0.58005922      -0.22626355
Li      15.59984878       7.60687704       9.90173045      -1.00538646       0.08064316      -0.33771862
Li       0.07427669      11.50075667       4.89617953      -0.32454849       0.10864853       0.29082886
Li       3.83270310       6.33947353       3.06051689      -0.23211003       0.82878041       0.49567988
Cl      14.36133348       8.30941834       8.42558357       1.32326228       0.30865328      -0.32156806
Cl       2.56898358       7.98541877       3.54707442       0.06375168      -0.02925686       0.09233310
Cl       4.77795701       7.76311960       6.28553740      -0.01244945      -0.21983224      -0.38991171
Cl      11.20672339       9.39086816       6.47413844      -0.06937396       0.22095803      -0.95856287
Cl      15.09057173       0.65157627      12.73819388       0.47252801       1.36668597       1.19319991
Cl      10.89350467       7.20270688      14.20327285      -0.45645003       0.83517034       0.94596061
Cl       4.36909813       7.53788599      10.46908055       0.25742306       0.20361277       0.41113909
Cl      13.43430814       4.54041155      12.54236839       0.69974840      -0.82428293      -0.30044721
Cl      12.74431792      14.88117449      12.26973733      -0.07521664      -0.59024948      -0.05718120
Cl      13.78814641      12.91153270      15.81441955      -0.17943573      -0.16072748       0.02708310
Cl      11.37242311       7.59427812       9.38562127       0.16189979      -0.61960137       0.08858451
Cl      15.47467931       0.33921396       1.17593375      -0.13692104      -0.19408988      -0.05530748
Cl       0.04848192      11.02163090       2.84196550      -0.49286050       0.55841220      -0.42189152
Cl       6.51971783      12.30153764      12.09698860      -0.33395150       0.41909911       0.39151457
Cl       9.39405776      10.62726876       0.33602436       0.25921006       0.05169309       0.17709145
Cl       1.00347527      11.57593554       6.70439567       0.25908100       0.06801587       0.54022929
Cl       7.77203453       2.08564754       1.41982971      -1.09266636       0.01419491      -0.02115918
Cl       0.74635045      14.12525524       9.87013746       0.23693419       0.50896805       0.55362454
Cl       9.95187096       3.46706330       5.04133823       0.10383332       0.04694926      -0.18248903
Cl       7.40491157       2.48753714       8.31142778      -0.19037689       0.82663191      -0.78247936
Cl       3.54224218       0.15644988       1.77673478       0.65830137       0.06643781       0.15767081
Cl       5.63021813       0.24660711      10.76667023      -0.81143329       0.57825976      -0.04370917
Cl       6.19718548      12.66462576       1.39581840      -1.02928334       0.82811082       0.60124695
Cl       8.14515394       9.64841242       9.46713150      -0.50252175       1.46958217      -2.53949966
Cl       8.72510296      12.14974458       4.87292735       2.17956414       0.28363821      -1.09305862
Cl       3.60032479       3.72298086      11.80287558      -0.20898380       0.32915073       0.30972121
Cl       9.09458622      15.91900654      10.54843780       0.09434503      -0.10735817       0.04722150
Cl       1.32588323       7.29601862      10.97118738       0.27791086      -0.53223003       0.99193553
Cl       8.17384439       8.11630400      11.90883409      -0.18282457      -0.22142655       1.61118282
Cl       6.00070612      11.63944048       6.14332908      -1.42885780      -0.59716954       0.54309481
Cl      11.78472676       1.93721951       2.05756312      -0.21601436       0.50436462       0.50725175
Cl       4.65638540       4.61954552       2.47559209      -1.11820395       0.14065042      -0.12991355
64
Lattice="15.9491 0.0 0.0 0.0 15.9491 0.0 0.0 0.0 15.9491" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.40525622 stress="-0.008806128979060433 0.0038335244693142386 -0.0007064526877410295 0.0038335244693142386 -0.005110673444923608 0.0014195798643375137 -0.0007064526877410295 0.0014195798643375137 -0.00485408720176976" free_energy=-213.40525622 pbc="T T T" config_type=density 
Li      10.97618657      15.43037147      11.38896523      -0.89431637       0.07954891      -0.41878807
Li      11.95601953       5.77859817      13.30894978      -0.50343667       0.40607149      -0.12126960
Li       6.16045152       3.43838672       2.19126280       0.79546234      -0.65131976      -0.15123050
Li       8.93374482       2.92252903       6.92717260      -0.29561244       0.00537626       0.33919661
Li      13.87925770       2.39984513      12.39532154      -0.21332752       0.41617491       0.01082456
Li       7.38641099       0.99453803       9.67899842       0.09549406      -0.41404771       0.38793844
Li      15.57227061       7.57620528       9.90388073      -0.46028894      -0.10032814       0.07600627
Li       7.70658917      11.85935203       0.20830960       0.07855137      -0.03395194      -0.19867509
Li       7.00824188      12.98873970       4.96471559      -0.75875547       0.76937355      -0.31399121
Li      15.92181109      15.26413400      11.52288982       0.24037008      -0.64841899      -0.44415316
Li      11.56520278       4.75370900       4.49802898      -0.10450836       0.05181826       0.07005301
Li       9.82482104      10.65182972       5.64880439       0.07674305      -0.49699504       0.50273064
Li      13.58992508       1.28163459       1.52760320       1.28678135      -0.44357426      -0.38023867
Li       9.40901205       8.12402497      10.01381788       0.21232445      -0.32861735       0.37033456
Li       6.00391110      14.27458804      11.31818312       0.22504243       0.01788089      -0.19562372
Li       9.84764420       9.01170402      14.93969741      -0.21959525      -0.11460618      -0.45747095
Li       2.87887635       8.61801644      11.87458342       0.57362608      -0.12937136      -0.34988327
Li       5.22267634       9.69006709       5.39741468       0.23811419       0.60044367       0.16258950
Li       9.76778706       2.26260312       1.62208727      -0.17516756       0.09447334       0.04081867
Li       7.34516662      10.53605521      11.13444949       0.03614895      -0.38543183       0.48449036
Li       3.88772072       6.38436093       3.10399789      -0.28530392       1.00309208       0.58402569
Li       1.63744625       0.63387146       1.61733443      -0.07630408       0.09631994      -0.03996497
Li       0.11165774      11.51040167       4.90131792      -0.41433017       0.04885328      -0.24048315
Li      14.92516778      12.25978609       1.41743958       0.46150916      -0.02211307       0.53017618
Li       1.27181313       9.33818210       2.76345271      -0.26852531       0.12429720      -0.42765568
Li       5.01128697      14.61655269       1.39547129       0.64364235      -0.63759761      -0.21651490
Li      12.52613606       8.29104394       7.57518454      -1.09500475      -0.14091646       0.17428038
Li       4.36930379       1.83759151      11.36068747      -0.17702043       0.25193406       0.05524221
Li       0.30132156      12.75063559       8.43834983      -0.16493762      -0.34719024      -0.24381386
Li       2.11233070       5.05586470      11.15755973       0.01250073       0.66995025      -0.07546673
Li       4.27410361       7.85113586       8.35203330       0.20471524       0.10949113       0.59268729
Li      13.24242609      14.02466564      14.11825496       0.25188054      -0.42819484       0.94645865
Cl      11.76450273       1.80781454       1.98992136      -0.76608373       0.50331984       0.53184597
Cl      13.70271711      12.86240688       0.01419470      -0.86352422       0.50422340      -1.12413540
Cl      12.71223016      14.80771861      12.32809608      -0.30810686      -0.23843155      -0.67591473
Cl      10.85730198       7.22585140      14.30224378       0.11604878       0.03231873       0.54180529
Cl      11.41258584       7.55650814       9.34815029      -0.27820447      -0.65021517       0.24037752
Cl      14.28556102       8.27786998       8.53752133       1.57707923       0.47410649      -0.36044818
Cl      13.36279394       4.51830028      12.51426993       0.75634018      -0.73085331      -0.34601708
Cl       6.39153803      12.44686903      12.10678637       0.09168238      -0.86245634       0.46306743
Cl      15.06982612       0.68455930      12.66084215       0.37449965       1.20277567       1.08154681
Cl      15.50774056       0.40597796       1.18298621       0.00906306      -0.14308927      -0.04295193
Cl      11.15468890       9.34996849       6.38794948       0.57653597      -0.44783295      -0.46753990
Cl       4.57429757       4.63884358       2.44171152      -0.53910768      -0.41035857      -0.27214434
Cl       9.01628142      15.93262458      10.50871845       0.91161057      -0.47579859       0.40775103
Cl       3.68113203       0.15112857       1.84488024      -0.21793369       0.58140818       0.23655501
Cl       4.34306752       7.65063973      10.52501843       0.40130197       0.20908620       0.15297478
Cl       4.79010485       7.84075300       6.33064436      -0.02850779      -0.54118778      -0.52605947
Cl       1.34256653       7.34798961      11.00320434      -0.30448372      -0.72219783       0.69329404
Cl       3.62894657       3.73837335      11.79579487      -0.17899945       0.15120291       0.21381071
Cl       2.59753422       8.07936749       3.56443246       0.49462297      -0.41589334       0.26011728
Cl       0.04045872      11.06708049       2.81734472      -0.03615860       0.02418529      -0.13808794
Cl       0.64268812      14.11745751       9.93445515       0.36377779       0.13412516       0.09795496
Cl       0.87785122      11.61086505       6.73972283       0.46728743      -0.10086460       0.63436941
Cl       7.71081568       2.17280969       1.37491768      -0.44840205      -0.14416150      -0.10793626
Cl       9.97812379       3.49760573       5.08852846       0.08637529      -0.00767919      -0.22515587
Cl       7.29084398       2.45821883       8.32137913       0.03739972       1.06652225      -1.19253256
Cl       5.60980884       0.30382079      10.73647160      -0.47525607      -0.12867045      -0.08869394
Cl       8.73921365      12.05885932       4.84347054       1.19939392       0.92976304      -1.37790283
Cl       9.37574223      10.58273822       0.39530961       0.24231657      -0.03840225       0.08675930
Cl       8.12113818       9.64794552       9.42017642      -0.43773252       1.23710466      -2.03079764
Cl       6.04997210      11.62303422       6.13828227      -1.53988467      -0.64289897       0.58516885
Cl       8.24507863       8.08397678      11.91483895      -0.15712365      -0.07673651       1.39160775
Cl       6.19447095      12.77617010       1.37890017      -0.45229780       0.30516192       0.30468246
64
Lattice="15.9913 0.0 0.0 0.0 15.9913 0.0 0.0 0.0 15.9913" Properties=species:S:1:pos:R:3:forces:R:3 energy=-212.47734267 stress="-0.005911218592910828 0.0022740646397528563 0.001073129402638204 0.0022740646397528563 -0.004488626295401252 0.0006115352622676343 0.001073129402638204 0.0006115352622676343 -0.0055447787120774346" free_energy=-212.47734267 pbc="T T T" config_type=density 
Li      10.91289489      15.54974822      11.27727265      -0.31333906       0.18882378      -0.16316899
Li      12.24770469       5.78709156      14.12060574      -0.27312470       0.27634872      -0.16295169
Li       6.43162090       3.97614080       1.48760188      -1.08179610       1.01949987       0.06579378
Li       9.30684065       3.48002671       6.81731507      -0.75417784      -0.44224500       1.39629426
Li      13.83301820       2.57615046      12.77780029       0.03265931      -0.35477197      -0.15891919
Li       7.22365400       0.75688102       9.21586615       1.25550065       0.50483994      -0.46903515
Li      15.56737064       6.81840248      10.63258339      -0.59329636       0.06912056      -0.32504095
Li       8.15453956      12.09607518       0.64444779      -0.15090442       0.41075668       0.44370347
Li       7.58425782      12.79481503       5.17355335       0.02733771      -0.85550327      -0.30725917
Li      14.65106915      14.81502795      10.86645615      -0.55444110       0.18282225       0.40608018
Li      10.11905477       9.97177490       5.19766823       0.05774963      -0.16966862       0.35013547
Li       5.09226957      15.06215750       1.07447464       0.49686587      -0.07909946       0.11520722
Li      11.72854713       4.92045904       4.54629461       0.40486322       0.44254480      -0.06732238
Li      13.86207440       1.03467709       2.29273665      -1.40519992       0.45668327      -0.28243624
Li       6.60819684      10.17166615      12.08467338       0.48417231      -2.03360682      -0.52379461
Li       7.92359320       8.08085165       9.96660971      -0.16068581       0.44400675      -0.14692621
Li       5.95149811      13.95976525      10.99281940       0.23599789      -1.01354981       0.17077627
Li       2.48396061       8.44454178      11.84571539      -0.14694957      -0.21242693      -0.01042933
Li       9.83221882       2.32620644       1.76919748      -0.05249047       0.10575127       0.05892073
Li       0.21531006      13.29964438       7.91938749      -0.00680496      -0.40451171      -1.58168276
Li       4.07087326       6.88219177       2.20748703      -0.27228092       1.05227348       0.79841564
Li       1.47169533       0.49471965       2.01949330       0.60563241       0.25276984      -0.23773658
Li       4.18345201       8.10650169       8.46608206       0.61499881       0.42481799       0.57901027
Li      13.20156974      13.76406372      14.15975245      -0.75657622       0.87632009      -1.50511972
Li       2.57631037       4.79288045      11.58596870       1.10759568      -0.48465163      -0.20839417
Li      12.21308352       8.50583644       8.37091784      -0.43971165      -0.12998109       0.79115532
Li       5.05761642       9.98012236       5.24321145      -0.45054646      -0.92523438      -0.29161301
Li       4.88598180       1.63165630      11.26195298      -0.27358416       0.79556299       0.39829245
Li       2.25616454      10.33410577       2.67021128       1.30398296      -1.23513661       0.36785005
Li       0.36986917      12.10811663       4.31949000      -0.62254774       0.41600242       1.04570505
Li      15.74666509      11.88986737       0.73847184      -1.47326263       0.46913307      -1.41092710
Li      10.03250985       8.66251919      15.69197485      -0.24178396      -0.10054263      -0.26343161
Cl      11.48402416       9.00023946       6.42089074       0.83861992      -0.18821811      -0.92319535
Cl      10.81451641       6.83949500      15.07925220      -0.29847983      -0.17606860       0.52753874
Cl       9.90336412       8.38231963       9.08049979       0.45593521      -0.26997265       0.04777936
Cl      15.59705049       0.11484488       2.65266883      -0.04686269      -0.80749789       0.59978344
Cl      13.84258100      12.77615319      15.69649879       1.26968850      -1.16209975       1.78214106
Cl      13.64988584       4.56287759      13.35188796       0.81274448      -0.17151670      -0.22562677
Cl      12.35914806      14.38460612      12.21979987       0.61440393      -0.65116948       0.13308704
Cl      11.67892613       1.46561384       2.09318121       1.04218414      -0.15854896       0.17682292
Cl      14.55628871       0.80682505      11.84469194       0.29744270       0.20978255      -0.06184100
Cl      14.16752422       8.04172094       9.61467318      -0.12321801       0.08031904      -0.19572819
Cl       4.88407884       5.34976148       1.22772246      -0.13401171      -0.43024127      -0.61161553
Cl       6.12956124      11.43627414       6.11828737       0.36422284       1.39884086       0.49916026
Cl       3.48898183       0.38301082       1.62777042       0.37803542       0.05302318      -0.14893730
Cl       3.49878450       7.27578564      10.49435459       1.39712218       0.05661978      -1.19271013
Cl       1.23818717       6.30842393      11.77650504      -1.86398520       0.34395833       1.57310338
Cl       4.29900514       3.57175280      12.19130337      -0.06873378      -0.45426406      -0.14591944
Cl       3.79769388       8.90048573       3.26969314      -0.26378609       0.22351497      -0.82862132
Cl       0.88530875      11.78907420       2.40354036       0.26601379       0.58747224      -0.61057325
Cl       0.16564268      13.81995331       9.75379749       0.16418859       0.45705104       1.92100312
Cl       0.73035146      12.05436987       6.32559858       0.22955194      -0.33470537      -0.04543504
Cl       6.51808586      12.12538723      11.70478406      -0.02146942       1.44507870       0.59163304
Cl       4.08112368       8.33893524       6.32136089      -0.24079589      -0.36845534       0.22045977
Cl       9.95351283       4.08050002       5.03943432       0.15457323       0.17431021      -1.31277605
Cl       7.60527038       2.41930779       7.64241817      -0.10347199      -0.31546373       0.23128591
Cl       5.76950113      15.87960285      10.44486152      -1.24267040       0.70634294      -0.20460503
Cl       7.82420727       8.10800487      12.10189601      -0.01924252       0.04630306       1.35294733
Cl       8.73886166      10.93219638       4.04152922      -0.45902810       0.91307328      -0.63693594
Cl       9.66399035      10.63517398       0.14174736      -0.09415769       0.73185347       0.12099440
Cl       6.10343145       9.58720012       9.83504928      -0.65286571      -0.31109822      -0.76483316
Cl       8.92839055      15.97679589      10.77493794      -0.11813248       0.23482748      -0.32543985
Cl       7.83700031       2.67305773       1.44287581       0.82979870      -1.31588374      -0.16095128
Cl       7.00785141      14.10144817       1.60917254       0.03253351      -0.49431512      -0.25314644
64
Lattice="16.0119 0.0 0.0 0.0 16.0119 0.0 0.0 0.0 16.0119" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.79235592 stress="-0.004029699994483904 0.003973186237620576 -0.000925618618289103 0.003973186237620576 -0.0023428346733244255 -0.0012435930871373755 -0.000925618618289103 -0.0012435930871373755 -0.0033954586150955275" free_energy=-214.79235592 pbc="T T T" config_type=density 
Li       8.01754262      12.53827841       5.51425818      -0.42293050      -0.54963343      -0.42889178
Li       9.88835700       1.96557281       1.94791168       1.88853316      -0.85131069       0.59958272
Li      12.16481686       5.63620481      14.67730814      -0.38652127       0.17202637      -0.03572554
Li       6.84403046       4.22067279       1.18044050      -0.33081985       0.42764468      -0.13104283
Li       9.41313982       2.87873147       6.75569281      -0.05393309       0.44071499       0.01987881
Li      13.64775898       2.80326738      12.48282920      -0.04663733       0.24341715       0.23540618
Li       7.11142919       1.07835023       9.14452419       0.30661203       0.48443702      -0.27242514
Li       6.42439059      14.23204922      11.48373468      -0.09930751       0.05374737      -0.08041383
Li       7.74204186       7.86781534      10.11593413      -0.08552265      -0.22700778      -1.11231170
Li      10.57376239      15.34205818      10.98547638       0.77161018      -0.07465629       0.34630949
Li      15.08072796       6.87083439      10.60743542      -0.79429158       0.44137075      -0.80612917
Li      11.59512947       6.20757345       5.29420664       0.05960638      -2.74432910      -0.91016442
Li      13.88521545       0.15709227       2.24304302       1.37637896      -0.22568390       0.04274218
Li       6.87839200      10.43104833      11.67962426       0.06341960      -1.01371497      -0.03379262
Li       9.90220729       9.50357503       6.26915522      -0.54388345      -0.18676467       0.18777340
Li       8.19015090      11.79292447       1.20507481      -0.04320962       0.41778070       0.45595310
Li       4.22630898       8.40792875       8.35302394      -0.09917268      -0.14935782       0.14092311
Li       2.01540184       7.90999068      11.59115852       0.26573982      -0.06233778      -0.44436339
Li      10.13910335       8.86862314      15.58329346      -0.59852403       0.53174233      -0.30080970
Li       2.13449835       4.79522780      11.90792193       1.19506015      -0.91504872      -0.00453161
Li      13.10945491      13.59303030      13.24720529       0.33100786      -0.54449687       0.94536424
Li       4.52822937       2.01479339      11.14607573      -0.21017585       0.39678277       0.10967047
Li       0.48819483      13.60068399       7.75187317       0.43551258      -0.87776327      -1.63002888
Li      12.35777627       8.40916167       8.32034366      -1.15418856      -0.23542527      -0.22570207
Li       5.79779691       9.62520142       4.85669748      -0.30090586       0.03394326       0.70001817
Li      14.50178569      15.43542356      10.89271944       0.32519640       0.09857484      -0.57650200
Li       2.26499534       0.17411660       1.86477790      -1.88210956       0.31345940       0.42386482
Li       0.44796653      12.31094146       4.14802680       0.02378970       0.56044318      -0.81915678
Li       5.57106840      14.66640403       2.43720332       0.41652980      -0.14832664       0.12851537
Li      15.36386638      12.37390025       0.50612495       0.33267263      -0.34525436       0.42407194
Li       4.57552852       7.47848599       1.78372566      -0.27271786       0.36734744       0.20681857
Li       1.69128896      10.27533260       2.23212291       0.83033364      -1.20610853       0.02431093
Cl      12.03481624       0.88757324       2.33754526      -1.50616645       0.52797324      -0.12567729
Cl       5.87944158      12.28368920      12.33907437       0.11181855       0.36056192      -0.05714005
Cl       8.16510829       8.42797565      11.99726834       0.55518654       0.91525856       1.78955497
Cl      11.17958864       7.08177516      15.75309966       0.00797629       0.03459304       0.60067248
Cl      11.37213174       7.82539982       6.26210998       0.42128769       2.02189626       0.46926279
Cl      13.52469151       4.39443393      13.85301552       0.72624963      -0.36307956      -0.13129926
Cl       0.17084697       0.04163094       2.60507208      -0.23460696      -0.25413143      -0.12731523
Cl      13.73062056       1.51030806      10.90724223       0.18529275      -0.20072036      -0.53828262
Cl      12.51560556      14.55576180      11.53610960      -0.19485652      -0.32283716      -0.28406645
Cl      13.65059308       8.29930402       9.92475205       0.48527887       0.12203765       0.54279308
Cl       5.36960668       5.66998992       1.19401699      -0.24344704      -0.01634108      -0.19786217
Cl       6.23520999      11.37269215       6.20118470      -0.24387030       0.73387144       0.28199909
Cl       4.14741835      15.89804498       1.48305740       1.38192962      -0.09775311      -0.51310017
Cl       2.29913271       7.51954050       9.51611235       0.00502755       0.40225966      -0.50780189
Cl       0.61122226       6.02596648      11.58696340      -0.56205248       0.08203512       1.30264319
Cl       4.09835789       3.89364575      12.06788082      -0.12584623       0.01253955       0.13214936
Cl       3.36381198       9.13498109       2.55631585       0.59127749      -0.15910761      -0.05315273
Cl       0.41202622      11.76855436       2.11148925      -0.42421256       0.67680831       0.21749148
Cl      16.00977618      14.38935013       9.43246618      -0.65233256       0.96959396       2.01757522
Cl       0.35398948      12.16350388       6.06647659      -0.09210664      -0.10304060       1.62212175
Cl       5.63013630       0.27476420      10.70408325       0.02708133      -0.53262859      -0.10685770
Cl       4.13049377       8.51941961       6.05259427       0.33277646      -0.03121845      -0.18224210
Cl      11.21917006       3.82224868       5.71539967      -0.18657926       0.32623273      -0.10901936
Cl       7.31825491       3.01331148       7.61782154       0.27274005      -0.74929621       0.25945803
Cl       8.94050056      15.93378210      10.02623547      -0.97736347       0.16102298      -0.59733770
Cl       7.61404274      13.92297151       2.64193148       0.12213006      -0.58727019      -0.08510445
Cl       8.73698931      10.55145781       4.52233699       0.75582681      -0.13672266      -0.19700235
Cl       8.69585474      10.57659650      15.49686283       0.12765859       0.03066663       0.18525052
Cl       5.47147438       8.29624575      10.33750681      -0.11298402       0.40971916      -0.42408622
Cl       9.81140381       8.21950071       8.92381616      -0.03243292       0.48393440      -0.30472758
Cl       8.16954358       2.73342347       1.41994010      -0.56644914      -0.28994983      -0.30639332
Cl      14.37351436      13.18708060      15.10456967      -1.25138335       0.94688007      -1.75171534
64
Lattice="16.0376 0.0 0.0 0.0 16.0376 0.0 0.0 0.0 16.0376" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.82495091 stress="-0.005197465130805635 0.003912574099895392 -0.00010905582925854664 0.003912574099895392 -0.004916522190959685 -0.00045643038383299823 -0.00010905582925854664 -0.00045643038383299823 -0.0035573747525750937" free_energy=-215.82495091 pbc="T T T" config_type=density 
Li       4.33696798       7.03680171       2.24059706      -0.40534000       0.64622420       0.52683904
Li       7.60090826      12.18666753       5.21347093      -0.17389919      -0.35292434       0.09182682
Li       9.38971009       2.69989788       6.73022695      -0.86406616      -0.99434394       0.74277025
Li      13.14764052       2.87711336      12.06380347      -0.14710587       0.53262323       0.67709697
Li       7.50016005       0.86140516       9.53892392      -0.17652707      -0.30197644       1.25132983
Li       7.62432315       7.44106150      10.28488080       0.36944302       0.46542902      -0.16509301
Li      11.00836902       5.84066939       6.32248701      -0.65182028      -1.52292926      -0.05888136
Li      12.17167237       5.96741455      14.82278388       0.07504894      -0.25174637      -0.25721915
Li       8.72248178      12.21678614       1.87992747      -0.28906992       0.08952109       0.37769657
Li      14.20881643       0.93746508       2.15919020      -0.12196688       0.07711355      -0.01828233
Li       5.79892352       9.61502233       4.95260333      -0.00108477      -0.11809756       0.34645634
Li       7.03991301      10.50655251      11.84920435       0.06346794       0.13520031      -0.20570944
Li      10.24759338       9.07510049       0.09301808      -0.13991317       0.06440167      -0.02187247
Li      10.06152515       9.26525831       6.16502985      -0.62336422      -0.17083754       0.53202589
Li       5.77956614      14.32000512      11.13060760       0.29089438      -0.06549954      -0.09436063
Li       5.68455940      14.55936630       3.22075102      -0.58461706       0.47428373       0.14395705
Li      10.43675688       1.97339460       1.51256860      -1.83113849       0.60913960      -0.66343699
Li       6.89626423       4.09730209       1.31826827       0.91945212      -0.83307838      -0.16143464
Li       3.92760824       8.07818723       7.96513819       0.63608162      -0.08430885      -0.25551173
Li      13.38724226      14.02696609      13.25180473       0.42110149      -0.67260014       1.18977638
Li       1.97972946       5.15863838      11.74492787      -0.09484004      -0.03180850      -0.32995914
Li      14.80581609       0.68512627       9.42438338       0.72602033      -0.87747125      -0.27408150
Li       4.31206159       1.97172669      11.54577295       0.65120007      -1.04552900      -0.23788549
Li      15.91498228      12.06762042       3.95384575      -0.11161784       0.06248178      -0.26911505
Li       2.52383711       8.23950945      11.44688511       0.20683403      -0.00872025      -0.39388952
Li       2.30561349      10.45327560       2.03934122      -0.27816190       0.34316748      -0.03105580
Li      12.41143449       8.42060603       8.28813545      -0.22762744       0.16348450       1.41544227
Li      15.40267142      12.23757087       0.30135292       0.69564298      -0.63556231       0.91525545
Li       1.82865526      15.27454703       1.80551301       1.36891245      -0.20166837       0.22132446
Li      15.06418183       7.61936753      11.30806365       0.39715025      -0.38362317       0.26555377
Li       0.45607406      13.20059667       7.56641138      -0.22439648       1.08242415       1.83365084
Li      11.09277490      15.49068576      10.47983387       0.59722412       0.18402751      -0.09690240
Cl      11.62031572       7.68529811       6.51208352       1.38002165       1.16889971      -1.80959411
Cl      12.12744067       1.43431153       2.27538261       1.61695020      -0.50045444       0.73143038
Cl      13.75652404       8.54643704      10.15367720      -0.87111055       0.57651676      -0.88140320
Cl       7.94194782       8.70487249      12.15032632       0.34859080      -0.71359449       0.30886481
Cl      13.30937971       1.64340495      10.46666700      -0.45547223       0.34791100      -0.71004419
Cl       5.89683307      12.25200471      11.72558653      -0.48932085       0.51064276       0.08370613
Cl      13.09481266       4.41046830      13.58132930       0.15907941       0.11326402       0.14253260
Cl      10.54499464       7.14649890      15.44520313      -0.01626338      -0.43112860       0.04492638
Cl      15.91831233      15.71914138       1.94903349      -0.94601988      -0.02049519       0.00881538
Cl       8.47696216      10.03883195       4.78154629       0.60486498      -0.00048684      -0.64425112
Cl       6.13630651      11.14125657       6.50815431      -0.37767442       0.78899000       0.22222082
Cl       2.22106326       8.29115052       9.32219179      -0.46040270       0.20338113       0.10216571
Cl       0.83081023       6.83469588      12.14867445      -0.01169199       0.43670435       0.80586921
Cl       3.32486712       3.64823325      11.82211684      -0.21393392       0.50346868       0.33471250
Cl       3.72086754       9.13998862       2.31969450       1.02292096      -0.73025922      -0.18750908
Cl       0.80100755      11.89205681       1.92348559      -0.50608826       0.48697058      -0.02743957
Cl       3.79087166      15.31794478       2.90131410      -0.77778831       0.17096486      -0.30445262
Cl       0.08438680      14.87304571       9.18665803      -0.08448003       0.00507821      -0.35345678
Cl       0.70990436      12.38061022       5.80519422       0.29709747      -0.64151114      -1.00141132
Cl       4.06328634       8.34083501       5.54939450       0.00986277      -0.34807309       0.28321449
Cl       8.30662681       2.43481239       1.18775267       0.07261790      -0.08250550      -0.04460481
Cl       5.50272509       5.48384883       1.64125591      -0.42954449       0.17149458      -0.10881708
Cl       8.32041914       0.95917197       7.74210329       0.63146022       0.76108999      -2.03684475
Cl      10.55169836       3.86211068       5.56923301       0.62737220       0.55432614      -0.62007024
Cl       5.52022211       0.44165947      10.58725372      -0.18569936      -0.09148158       0.04430814
Cl       7.39424774      13.50938462       3.10969064       1.16302159      -0.73184141       0.22694643
Cl      12.77224841      14.81423583      11.58463206      -0.13686578       0.03841488      -0.93897714
Cl       9.74306653      11.05906387       0.50251093       0.24985643       0.30027246      -0.22454215
Cl       5.56657077       7.09886723       9.65655971      -0.37766610      -0.03432670      -0.20981293
Cl       9.85597123       8.24488205       8.78493219      -0.39152961       0.23933334       0.33112848
Cl       9.08534851      15.48226602      10.43560217      -1.10655656      -0.16687720       0.46984712
Cl      14.39847709      13.19865612      15.00482667      -0.81752508       0.73851536      -1.03376878
64
Lattice="16.0539 0.0 0.0 0.0 16.0539 0.0 0.0 0.0 16.0539" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.15436756 stress="-0.003993361023334189 0.0031691903527244383 0.0005480251668892658 0.0031691903527244383 -0.003989519480572863 0.0002760192879229411 0.0005480251668892658 0.0002760192879229411 -0.0023301794768019126" free_energy=-214.15436756 pbc="T T T" config_type=density 
Li       4.50435510       7.03082156       2.04004934       0.18936713      -0.20942660       0.07732068
Li       5.65444044      14.04754779      11.18990543       0.20675431       0.45178206       0.02797478
Li       6.78245167       4.01231912       1.74926505       1.46690004      -0.94341155      -0.03627124
Li       9.04589103       2.41471526       6.74101656       0.52955367       1.86287274      -0.90078682
Li       7.57822744       0.19555256       9.70845154      -0.13423524       0.56361396      -0.66583498
Li       7.87089004       7.31836296      10.58757916       0.31412639       0.49803244      -0.20211154
Li      14.56067860       0.60515979       8.99424564       0.16390001      -0.24120281      -0.10704678
Li      10.46800971       2.36490001       1.70758913      -0.25655642       0.20221249       0.31678694
Li      10.90899429       5.78352985       6.57203320      -0.04991862       0.71926367       0.41070111
Li       8.77469250      12.34429322       2.06043780       0.67797556      -0.80598964      -0.40023603
Li       5.65906397      14.34098098       2.86703389      -0.67485345       0.75199740      -0.03079651
Li       7.02443211      10.56921350      11.82780715       0.16075114      -0.26978144      -0.18198716
Li       5.25463412       9.46719353       4.96364113      -0.38585071      -0.83051686       0.23625869
Li       7.70860116      12.28051107       5.72506155      -0.42122547      -0.86029144      -0.32553543
Li      10.12360539       8.99859624       0.24464538       0.12133207      -1.35913557      -0.56956248
Li      14.26401858       0.56406020       1.78617297      -0.18543455       0.19278841      -0.11979169
Li       3.03412288       8.69936760      11.58247145      -0.10952559      -0.62693382      -1.20077701
Li      13.54172151       3.21883906      11.89929517       0.02093449      -0.25450330      -0.11949162
Li       0.32368997      13.36984846       7.67776162       0.01192144      -0.80536642      -0.41507401
Li      13.63197654      14.02054513      13.32285869      -0.27472626       0.17526731      -0.65922492
Li       4.14140853       7.83232857       8.00746057       1.53990227      -0.22328349       0.11212972
Li       2.14648670       5.27150677      12.03865907      -0.00832270       0.21334827      -0.22033590
Li       4.23506698       1.65740464      11.58359522       0.00253916       0.12005981      -0.01640477
Li      11.27211745       0.03547912      10.58741862      -0.16922413      -0.00261055       0.00310124
Li       2.24378939      10.25070412       2.26374439      -0.24216636       0.30503122      -0.15324778
Li       2.12054360       0.03499750       2.28947879      -0.14203746       0.09892734       0.09180237
Li      15.68238065      11.34485767       3.77563647       0.04060796       0.26690659       0.98617678
Li      15.40026546      12.44395583       0.16173983       1.58562469      -0.98795926       1.18605617
Li      15.57037259       8.01307943      10.85121630      -0.22963213       0.19357627      -0.55378928
Li      11.63180508       6.02398517      13.96259055       0.16952206      -0.11667382      -0.11045062
Li      12.39886043       8.83502306       8.80336477      -1.15527501      -0.38531872      -0.49387876
Li       9.93585503       9.14563391       5.65965796      -0.84501713       0.36466522      -0.25934144
Cl      13.96175575       9.29678138      10.07924847       0.55665449       0.10935579       0.45787461
Cl      11.24530744       8.03518565       6.83658542       1.82597421      -0.33064365      -0.85091884
Cl      13.35965423       4.75047744      13.25567312      -0.14933083       0.57540339       0.38748098
Cl      13.55902762       1.84656774      10.28112626      -0.59711041       0.60792032      -0.07524504
Cl      12.34442165       1.62935847       1.56105394       1.12806989      -0.55078095       0.03028602
Cl      15.72225853      15.32315858       7.89840642       0.17701503       0.26800573      -0.17795718
Cl       5.44781070      12.01375947      11.12199743      -0.16555442      -0.74974860       0.15581634
Cl       8.00990076       8.75475356      12.50707977      -0.10408727       0.08983411       0.14457455
Cl       7.33669652      13.15422853       3.25749685      -0.42505676       0.51463068       0.77923741
Cl       9.38462832       7.90502063       8.93998345      -0.31340113      -0.13800628       1.13287694
Cl       5.19048273       5.16669085       1.63433518      -0.91291377       0.00795234      -0.33129591
Cl       1.13536552       7.27413447      12.02329549       0.41991155      -0.04628188       1.04421080
Cl       3.21699286       3.49204433      11.58112292      -0.17316711      -0.01845618       0.07789901
Cl       3.57876750       8.73264734       2.62542270      -0.04836634       0.84486822       0.28689656
Cl       0.57366685      11.68462241       1.74420807       0.31697618      -0.31594639       0.55894650
Cl       4.12354054       0.01428797       2.77600828       0.94899941      -0.44667936       0.14061913
Cl       0.26725248      16.04542354       1.33303559      -0.48171732      -0.20290560      -0.21829341
Cl       3.85235806       7.60092766       5.95466443       0.36689492       0.32615386      -1.27358765
Cl      16.02861768      11.73146769       6.13665144      -0.06931485       0.00682856      -0.72807958
Cl       6.06924111      10.78303539       6.39799287      -0.53433619       1.09534476       0.83823143
Cl       2.50591747       7.92715896       9.15746564      -1.29278102       0.63261931       1.57831567
Cl       8.48418113       0.83017607       7.59803795      -0.94674618      -2.05354180       1.08332581
Cl       9.89474100       4.13126246       5.79810679       0.02739203      -0.18813743      -0.44968702
Cl       5.94052094       6.89564772       9.76419068      -0.75445290       0.00945005      -0.01772119
Cl       5.71209000       0.17942962      11.05317437      -0.01648325      -0.10327556      -0.03548929
Cl      11.19210482       7.46466215      15.47690678       0.45993734      -0.58724170      -0.14468241
Cl      12.84719769      15.13905245      11.74805137       0.09872089      -0.19827597      -0.08466227
Cl       8.33174935      10.26505631       4.56157120       1.22389178      -0.09289583      -0.45217153
Cl       9.59161126      10.71743915       0.87553957      -0.54813515       2.14321980       0.64920094
Cl       9.20628555      15.26444947      10.50594508       0.61879573      -0.47894660       0.56274538
Cl       8.68212571       3.03515033       0.96887213      -0.95842858       0.31315837      -0.13797989
Cl      14.14436886      13.31181361      15.15578062      -1.59556112       0.89907858      -0.63709856
64
Lattice="16.079 0.0 0.0 0.0 16.079 0.0 0.0 0.0 16.079" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.97011567 stress="-0.005686123166278073 0.002776099021953723 -0.00168105312799731 0.002776099021953723 -0.006230237029058514 -4.9557145553874265e-05 -0.00168105312799731 -4.9557145553874265e-05 -0.0024017317067569085" free_energy=-213.97011567 pbc="T T T" config_type=density 
Li       4.42720794       6.82987683       2.40927736       0.55823546      -0.79341224       0.19637212
Li      13.65629668       3.52681610      11.09727559       0.30593151      -1.75655739      -1.44125565
Li       7.54674297       4.60398047       2.24554490      -1.47031340       0.46845007       0.14160135
Li      15.64295360       7.54714494      10.64587374       0.26118013      -0.26588074       0.18668084
Li       8.48906884       2.85632180       7.13032902      -0.54137498      -0.47050569       0.45668966
Li      15.30514989       0.38008344       9.21973076      -0.18626239      -0.08645673       0.03714756
Li      10.62413493       5.95085398       6.89829298      -0.09762885       1.28299572       1.06126086
Li       5.44309524      13.98995200      12.10526810       0.06682622       0.42294656      -0.11333843
Li      11.27504501       0.34588341      10.61225255      -0.46039193      -0.31559560      -0.12184402
Li       8.30935386      11.88215589       1.70482421       0.20754713      -0.48372921       0.05137123
Li      14.30686909       1.02719244       1.78322542      -1.29812805       0.41546917      -0.13402987
Li      10.38820777       8.74523947      15.53800597      -1.16229295       0.99930637      -0.01784658
Li       7.32567280      12.02688297       5.68054991      -0.89683479       0.03727527       0.10477745
Li       9.96426885       9.47302325       5.81722141       0.47252106      -0.51351204       0.55597191
Li       7.01258251      15.93330818       9.64899182       1.05449384       0.14858075      -0.55216866
Li       8.02170055       7.30809845      10.73881036       0.12806054       0.17682262      -0.71415865
Li       2.81763572       8.12446144      11.63100191       0.79855329       0.54918682      -0.66616804
Li      10.60122236       2.32508772       2.39708948      -0.26140747       0.01300055       0.30610596
Li       4.73963899       8.19686517       8.18909902      -0.17557710       0.06984279       0.46131010
Li       1.66687777       0.60766078       2.60611648       3.90762225       0.56009145       1.75756743
Li       2.29619375       5.03673067      11.64839939       0.59605516      -0.91799019      -0.11360976
Li      13.66652292      14.37094391      13.65259851      -0.50035297       0.35768651      -0.39101934
Li       4.59087608       1.66879117      11.10340169      -0.03946336       0.25736458      -0.26277038
Li       4.58217734       9.74379361       4.59241966       0.26382167       0.12470947       0.82297754
Li      15.95853613      13.48957352       6.80450417      -0.24566584      -1.09256604      -1.21576784
Li       1.80573602       9.91305724       2.08837268       0.05840087       0.05542370      -0.27412110
Li       7.25199882      10.71337338      12.08878712      -0.82439733       0.78750397      -0.01077697
Li      13.21801529       8.70232462       7.97873746      -0.97600377       0.21067508      -1.07303910
Li       5.26820396      14.27512915       2.77301650      -0.37572156       0.56897671       0.16561547
Li      15.85532503      10.75080530       4.19684411      -0.20485807       0.16639735      -0.17832266
Li      15.36054204      12.51833761       0.33957722       0.46013697      -1.47932081       0.95127761
Li      12.35394591       6.08964791      13.86622410       0.00281102      -0.33686560      -0.41065122
Cl      14.43304101       8.56139218       9.44930672       0.54846111       0.52396840       0.86661300
Cl      13.29336149       4.91904847      12.32571119      -0.15473202       1.67909088       1.28699172
Cl      11.51249968       8.38006930       6.84314201       0.07463582      -0.27521325      -0.78953242
Cl      12.21692067       1.44168816       1.47798811       0.53683591      -0.38525504      -0.25920818
Cl      11.79553832       7.38384662      15.35152172       1.03363387      -0.62442231       0.36666060
Cl       5.58447789      15.97186562      11.33640248       0.10535025      -0.36777398       0.16683305
Cl      13.63320723       1.53184311      10.14771416       0.06095245       0.10913788      -0.30771366
Cl       0.07798315       0.31805066       1.82509513      -2.47267301      -1.07523663      -1.64305848
Cl       9.30583380      10.02403450       0.80453206      -0.29318345       0.52953550       0.22781855
Cl       8.52416930       9.17649433      11.96610435       0.81691128      -0.76312124       0.33500336
Cl       1.23703143       6.72787165      11.56361483      -1.06361424      -0.22139795       1.40431214
Cl       3.60748444       3.41294462      11.47490698      -0.27871404       0.32241140       0.17359209
Cl       3.37605939       8.58768135       2.62796784      -0.36414686       1.01361922       0.14453288
Cl      16.04698044      11.10571706       1.85530757       0.10196368      -0.41802132       0.54584040
Cl       3.74084367      16.03946174       2.79231130       0.34228812      -0.44750183      -0.01742623
Cl       0.17006276      14.75910705       8.21218846       0.21822220       1.57876715       1.55220154
Cl       0.54575020      11.68859689       5.91192672       0.03989282      -0.39137110      -0.23703400
Cl       2.71569486       8.26679274       9.47998545       0.07053451       0.60411232      -0.41508576
Cl       5.16341711      11.35228853       6.30692343       0.27706516       0.67280982      -0.63827486
Cl       5.45049158      12.04620993      12.62999018       0.09890066      -1.02777552       0.29638532
Cl       4.80197727       8.14216441       6.05398468      -0.12805923      -0.67371940      -0.89997525
Cl       5.43399452       4.99441074       1.99297597      -0.18161295      -0.02930803      -0.14238501
Cl       7.39114648       1.12494633       7.71433438      -0.39945930      -0.28501065       0.22598208
Cl       9.48214004       6.95995594       8.92405403       0.30375101      -0.43425292       0.06867023
Cl       9.58726454       4.31978414       6.26949152       0.30828047      -0.23115866      -1.01612728
Cl       6.02243769       7.31372610       9.74898712      -0.06294393      -0.16337055       0.54376906
Cl      12.20417003      15.35817843      12.24973791       0.56528984      -0.47351834       0.69810462
Cl       7.21186563      13.32846194       2.97279807       0.03423005      -0.07448159       0.03084246
Cl       8.44300251      10.39041059       4.90621743      -0.38362761       0.32166052      -0.86070320
Cl       9.16236089      15.29272082      10.30432362       0.05380607       0.25017371      -0.02471794
Cl       9.40185759       4.01497454       2.19994486       1.29687246      -0.06824378      -0.10929211
Cl      14.86228599      14.07266238      15.45318924      -0.53063341       1.66455406      -1.13945751
64
Lattice="16.1102 0.0 0.0 0.0 16.1102 0.0 0.0 0.0 16.1102" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.74366373 stress="-0.0071168772980262935 0.003945665588880874 0.0002948559003214735 0.003945665588880874 -0.005575980665314674 -0.0005067590672959595 0.0002948559003214735 -0.0005067590672959595 -0.0044762848533009885" free_energy=-213.74366373 pbc="T T T" config_type=density 
Li       4.56559846       7.03666149       3.35792954      -0.33727692       1.09561724       0.95833392
Li       8.62137353      11.85237080       1.62485866       0.19956316      -0.06108029       0.13753615
Li      13.11578102      14.86570316      13.79495483      -0.67171503       0.80311431      -1.04857619
Li       7.42475620      12.21929672       4.82685757      -0.96170240      -0.14827796       1.03442712
Li      10.15864103      10.20669776       5.74048313      -0.70836652       1.36242485      -0.67351702
Li       6.75315419       0.14370298       9.64400070       0.89004462      -0.03172985      -0.72675734
Li       6.37227684      13.74535152      12.03488326       0.35245131      -0.63482434       0.24865886
Li       7.63238446      10.44342104      12.81366644       0.53551905      -1.32364739      -0.69775343
Li      10.93708590       9.01112760      15.85950918       0.03038138      -0.24796245      -0.42343688
Li       8.45753280       7.59049794      10.32945749      -0.86124606       0.91854214       0.12326662
Li      14.58638451       1.35876649       2.12422653      -0.12224868       0.06986055      -0.02580014
Li      10.87601213       0.24088938      10.51599749      -0.07562346      -0.02889088       0.24253702
Li      14.73007139      15.64688031       9.62460401      -0.80786160       0.37155595       0.69682390
Li      15.81968476       7.25548633       9.65500396       1.45424044      -0.82176922       0.38170314
Li      13.57242463       2.45521059      12.04796474      -0.19867920      -0.55932563      -0.11792630
Li      12.39731443       5.72103811      14.21995801      -0.24418982       0.76099825       0.41770609
Li      14.89911571      11.88683052      15.77033439      -0.24995994       0.31530134       0.24547402
Li      15.36133346      11.84713499       3.48914712      -0.10801094       0.78564245       1.22694788
Li      12.57014465       8.34983611       8.15891413      -1.32941383      -0.04442667      -0.53173020
Li      10.98037401       2.71895067       2.20551860       0.22005782       0.23263463       0.00989563
Li       9.87456988       6.19019936       6.75352472       0.20124286       0.95380702       0.70693715
Li       5.76358515      14.43926617       2.73082389      -0.00584863       0.04707162       0.15581536
Li       1.36475465       9.44188213       2.33427132      -1.65811304       0.77665614      -0.71203069
Li       7.99457398       3.47099092       7.72888456      -1.01963766      -1.39936783       1.80196228
Li       2.10006123      16.00123061       2.98111196       1.09231110      -0.47673097       0.35831480
Li       4.41190715       1.10719283      11.37766765      -0.37868382       0.62352632      -0.03708104
Li       2.51024303       4.73132409      10.73717443       0.51052433      -1.02771410      -0.05453388
Li      16.04972489      13.04860148       7.07656645      -0.10833962       0.41939710       0.89476071
Li       3.50491900       7.92689503      11.13717458       0.33697793       0.08067912      -0.91261327
Li       5.72516232       9.35330825       7.66882573      -0.51306848      -0.10952565       0.05087991
Li       3.63769927      10.19343907       4.44744625       0.60197035       0.61237213       0.59715013
Li       7.53915473       4.59238972       2.74927007       0.77206725      -0.48061856       0.18525885
Cl       4.16590440      15.60886508       3.46875160      -0.24754429       0.12612805      -0.05451153
Cl      11.97129630       0.07884267      12.54825089      -0.16430015       0.03923934       0.16384060
Cl      15.54722906      10.83799206       1.75473909       0.34225479      -0.74147296      -1.34225238
Cl       0.42900496       0.88178696       2.52367894      -0.34053880       0.35434421      -0.16422193
Cl      14.24375278       8.32794235       9.17013527       0.21425016       0.80711694       0.47072557
Cl      12.67832464       4.03111035      13.13607987       0.10967429      -0.38627504      -0.26959056
Cl       1.70702068       6.54225556      10.43483430      -1.26896874       0.80073675       0.46254507
Cl      11.01940902       8.63366561       6.69863727       0.24282891      -0.97895239       0.08131744
Cl       3.55181579       3.06010027      11.54460154      -0.06704993      -0.06635307       0.19629023
Cl       0.45962401      12.30161984       5.26906645       0.17447991      -0.56756792      -1.18404431
Cl      13.85029336       1.19677198      10.23738769      -0.44890278       1.40156335      -0.02464982
Cl       3.93465859       8.01707993       8.98543183      -0.62163337      -0.01712816      -0.26525937
Cl      12.27105879       7.57372722      15.41485155       0.95163919      -0.76998048      -0.20859257
Cl       6.89234632       1.59211951       8.21028956      -0.35933499       0.99073650      -0.71685363
Cl      12.57782922       1.55739076       1.72056936       0.21223821      -0.42900967      -0.38809046
Cl       9.06759385       6.26746388       8.90882783       0.78430744      -0.41627100      -0.30152147
Cl       8.71006018       4.58567177       6.36789486       0.43827465       0.24836486      -2.96299497
Cl       9.05151587       3.04980585       2.60606650      -0.94892793       0.18211103       0.11307428
Cl       5.75557838       5.54061998       2.83151264      -0.17026545      -0.47725945      -0.44802798
Cl       9.64261522      10.27150910       0.52594487      -0.88851749       0.98436216       0.54075044
Cl       7.03625873      12.71373486       2.82579352      -0.52214883       0.20801104      -1.45077512
Cl       9.50708011      12.23493972       4.70276070       1.45435339      -0.81255465       0.37581899
Cl       5.42427212      12.02429886       5.82992696      -0.10754970       0.33251815      -0.04974641
Cl       6.52045846       9.24814086       9.69801820       1.29083058       0.54500792       0.37165799
Cl       4.99090774       8.95335642       5.48824572       0.37437296      -1.24114181      -0.10105198
Cl       8.83831348      15.74279078       9.98410313       0.85341829      -0.43368851       0.32568509
Cl      15.90635120      14.51137542       8.66931749       1.43756855      -1.53084091      -1.10293610
Cl       8.38957997       8.34000889      12.32465742       0.30942156       0.35761661       1.09105857
Cl       6.55978346      12.03464160      13.48517179      -0.55203896       1.06905120       0.24241952
Cl       5.66283196      15.57614687      11.22280030      -0.81518460      -0.65214275       0.91525771
Cl       2.98397957       8.58839595       2.98502674       0.59010595      -0.44274765      -0.07632365
Cl      13.81143556      13.83012339      15.32307174       0.90552125      -1.31683104       1.24836959
64
Lattice="16.1154 0.0 0.0 0.0 16.1154 0.0 0.0 0.0 16.1154" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.73259952 stress="-0.006161308067940071 0.005344072238255944 -0.0004740777827732487 0.005344072238255944 -0.0065090402360214 0.00021745787291917523 -0.0004740777827732487 0.00021745787291917523 -0.0019473483693964535" free_energy=-214.73259952 pbc="T T T" config_type=density 
Li       4.43044577       7.21657281       3.17276772       0.43501355       0.05093592       0.82562160
Li       8.82029684      11.86293271       1.65469704       0.10274543      -0.07014138       0.05776391
Li       5.55513953      14.27621386       2.74487162       1.06035493      -1.20762589       0.19348685
Li       7.48507149      12.15110829       4.88419097      -0.32608968       0.09509708      -0.29751073
Li      10.96103435       8.77939596      16.05559575      -0.39307956       0.14251070       0.50603316
Li      10.28657263      10.28500943       5.87053403       0.01380356      -0.55464076       0.40998440
Li       6.00798227       9.54002672       7.55506067      -0.41924269      -0.20913481       0.48505986
Li       6.56325450      13.85771304      12.12537200       0.12708123       0.23825338      -0.43798405
Li       7.70037324      10.48479205      12.75754691      -0.20013157       0.15442038      -0.26895647
Li      14.65587657       1.43133760       2.06929794      -0.18125659       0.01623865      -0.17679261
Li      10.69208444       2.57288807       2.41579515       2.47230425      -1.09683868      -0.17589618
Li      10.63015296       0.27279505      10.83380327       1.29981743       0.32518100       0.86433593
Li      16.00973132       6.99965953       9.68380832      -0.21066904       0.25620703      -0.48100270
Li      13.42506289       2.51446975      11.97030962      -0.19175318      -0.06601503       0.46266584
Li      12.35857795       5.56819301      13.97482365      -0.37263685       0.98466704       0.28569089
Li      15.49848637      12.02376440       3.16683725       0.20237880       0.26507565       0.17266009
Li      12.61561858       8.32856764       8.13585969      -0.44677188       0.04994532      -0.10956487
Li      15.89384548      13.25688258       7.02508963       0.05210308       0.01626084       0.11497021
Li      14.90147526      15.78948215       9.84812094       0.71040396      -0.76023209      -0.41577566
Li      12.99937460      14.70243396      13.93142488      -0.78688587       0.77909583      -0.99507098
Li       6.99131175       0.19005697       9.55912347       0.13001142       0.07856354      -0.00509522
Li       8.58182115       7.54832444      10.41114467      -0.50364725       0.50250174      -0.25968284
Li      14.89606049      11.82449748      16.11022696      -1.25588344       1.09867957      -1.44467122
Li       2.15440336       0.21272328       3.10724250       0.88567930      -0.43161336       0.30616394
Li       3.66348165      10.10686980       4.56312386       1.35201529       0.41471326       0.95656698
Li       4.13211748       0.85687677      11.36296854      -0.63316285       0.54534945      -0.04335288
Li       3.44137921       7.78652616      10.81435198       0.22355438       0.48964864      -1.11752040
Li       7.32195141       4.54099741       2.58769812       0.32354669      -0.27247903       0.26291637
Li       7.92001002       3.28280367       7.75374744       1.13462684       1.41985870      -1.04182119
Li       1.10447216       9.36923571       2.24302195       0.41702731      -0.51645140       0.10698419
Li      10.00542336       6.45307351       6.81934432      -0.49189330      -0.82472549      -0.69664081
Li       2.50019150       4.62569995      10.88505024       0.61685908      -1.13174787      -0.03412441
Cl       1.56934666       6.34708252      10.67851527      -0.06220454       0.96716721       0.69010242
Cl      16.07172727      14.16269698       8.93436164      -0.07679928       0.17187764       0.28893768
Cl      10.78186333       8.54986432       6.91672968       0.78008265      -0.10470676       0.08196377
Cl      13.51838717       0.99626370      10.48090824      -0.41509410       0.74656811      -0.57540824
Cl       0.43889808       1.09759250       2.58711797       0.15521967       0.25930207       0.05283994
Cl      13.89036284      13.64698807      15.31159608       1.07669791      -1.31218229       1.47682731
Cl       0.03094157      10.85317398       1.17948451       0.53801848      -0.29441652       1.14303143
Cl      11.80789862      16.03976737      12.84020280      -0.55086182       0.22559912      -0.01629278
Cl      11.93045624       7.63027125      14.79295416       1.02762529      -1.11578303      -1.01718714
Cl       3.23344220       2.73349415      11.25062809      -0.16583101      -0.03872105       0.15066687
Cl      12.98569263       3.63967921      13.77505715       0.34369329      -0.59721216      -0.17626535
Cl       3.03670540       8.70755351       2.97983415      -1.27380245       0.77655717      -0.46172436
Cl      14.33155414       8.19609906       9.32166305      -0.05809009       0.17163060       0.11064817
Cl       8.84915952       6.53814670       8.54235454      -0.29291843      -0.40415671       0.93637877
Cl       4.15079523      15.63221196       2.88033767      -1.00818598       1.03440242       0.01193028
Cl       6.52548000       2.01587539       8.36953299      -1.00591732      -0.95576201       0.59378065
Cl       9.73220287      10.27126300       0.52106084      -0.42670791       0.65224546       0.29244017
Cl       7.53014627      13.34525943       2.49940185      -0.08536896       0.09667415       0.16089265
Cl       9.75784247      11.84594708       4.78923903      -0.29056750       0.98897655      -0.75102481
Cl       8.98449665       3.32699210       2.51521105      -1.79886018       0.55210844      -0.16058688
Cl       5.80299439       5.85685205       2.68684007      -0.17527924      -0.12085440      -0.42933284
Cl       5.27669765      12.13703955       5.31150692      -0.28325591       0.34914287      -0.31004567
Cl       9.02797600      15.48760848      10.08337355      -1.06368970      -0.57913034      -0.55811920
Cl       3.49327080       8.43109382       8.62949051      -0.34837581      -0.16815821       0.47122846
Cl       5.63337980       8.94317677       5.47955831      -0.32021800      -0.47165741      -0.70045788
Cl       8.44748318       8.69251784      12.21568270       0.82180306      -1.09594350       0.60609806
Cl       7.16864561      12.38655429      13.38330789       0.00717097       0.09248142       0.87870611
Cl       0.33481033      12.76271995       5.01445175      -0.11948695      -0.35418121      -0.69649320
Cl       5.56811243      15.58783015      11.34163175       0.63726178      -0.57344472      -0.23634865
Cl      12.71967572       1.82875948       1.79003417      -1.16123850       0.24266418      -0.10785789
Cl       8.91913259       4.49342475       5.87815661       0.24689781      -0.06542295       0.35698866
Cl       6.59179487       9.56281390       9.70003653       0.20205999       0.14277795      -0.11575748
64
Lattice="16.1374 0.0 0.0 0.0 16.1374 0.0 0.0 0.0 16.1374" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.9935745 stress="-0.008329906233019475 0.0040149471203668186 -0.00048125777145280893 0.0040149471203668186 -0.005140537262294822 -0.0001672729626189288 -0.00048125777145280893 -0.0001672729626189288 -0.00517479515826424" free_energy=-213.9935745 pbc="T T T" config_type=density 
Li       4.26989149       7.03840770       2.71981353       0.05374415       0.18709901       0.38910586
Li       8.20583563       3.53715671       7.08339877      -0.03592542       0.41001769       0.29483411
Li      13.78735885       2.88712610      12.43349554      -0.21666754       0.13265676       0.35428991
Li       9.96770082       6.69092106       6.84219305      -1.01486378      -0.64742927       0.33632551
Li      14.99015996       0.05907676       9.91833651       0.33449469      -0.02695122      -0.11013007
Li      14.36717563       1.40043907       2.48378792       0.08616765       0.00661091       0.06553339
Li       8.96535849       7.20066925      10.35251326      -0.54489600       0.35061885      -0.00993704
Li       7.19787748       0.64132125       9.57882175       0.22582548      -1.49530031       1.54611864
Li       8.38124916      11.96342922       1.81331123       0.64626243      -0.67532399      -0.43816490
Li      10.34713951      15.08616135      11.49947897       0.95697748      -0.03882299       0.77553456
Li       5.55952795      14.53949079       2.43705401      -0.41388378       0.18007198       0.11182860
Li       7.53309969      12.11052162       4.82814871      -3.99505664       0.33853289      -0.33251534
Li      10.09071622       8.81143997       0.08114788      -0.08375996      -0.35881198      -0.52341081
Li       8.28613533      10.71060217      12.06005997      -0.05742151      -0.76929566      -0.32832148
Li      10.23311264      10.27739366       6.13432600      -0.23477219       0.16443543      -0.09831753
Li       5.84725779       9.26591757       8.44810641      -0.43684147      -0.08868563      -0.76499215
Li      10.75680354       2.36542009       2.50263640      -2.05897775       1.03742946       0.40486725
Li      11.74752694       5.60066218      14.31201800      -0.62909409       0.87339150       0.06916621
Li       7.15253139       4.54221012       2.59095639       0.55268709      -0.08353988       0.53809075
Li       4.07784029       0.90578419      11.17176065      -0.64431869       0.51723418       0.13904824
Li      13.07145537      14.59837616      14.40611518      -0.99816934       0.08007350      -0.62291256
Li       2.09192344       0.40324781       2.15045379       0.08339563      -0.10014347      -0.06303537
Li       3.15887991       7.14444655       9.19197600       1.18725144       0.83847919      -0.62756962
Li       0.05916342       7.06658360       9.82725703       1.64017132      -1.05586503       0.35649874
Li       2.00655659       4.05723283      10.91767728       0.22669794      -2.87011131       1.33353878
Li       4.12494536      10.06308899       4.94306313      -0.49820119      -1.05528609       0.32105055
Li       6.21804683      13.92186408      11.92975046       1.17433567      -1.32540664       0.67048774
Li      16.04391604      13.74829020       6.85805611      -0.14056506       0.25935018       0.98202147
Li      13.18354575       8.22787931       8.13123242      -0.36348665      -0.00516012      -0.26278681
Li      15.91276739      11.90796497       3.53588185      -0.43562386       0.43493595       1.50907960
Li      15.47421741      12.66942433       0.41552191      -0.30710506       0.79999936      -0.62900174
Li       1.78289223       9.92070871       1.95362592       1.19340123      -0.90125493       0.42816397
Cl      11.35020802       8.62968444       7.16242362      -0.46377429      -0.12095025      -0.36122748
Cl      11.04755108       7.38539407      15.05879232       0.19381128       0.16681851       0.08184159
Cl      12.38890790       1.44459261       2.05243522       0.78647501      -0.92824598      -0.57660113
Cl      15.64072310      14.72348942       8.68103364       0.21493255      -0.54294268      -0.27043210
Cl       5.38133878      15.46750425      11.06798103      -0.63090081       1.08032382      -0.97348917
Cl      14.68776122       8.20013912       9.48980786      -0.82770121       1.05763534       0.23471580
Cl      13.97471406       1.22400081      11.18830148      -0.46768594       0.37708556       0.33164540
Cl       7.55885498      12.56125534      12.99867570      -0.05707766      -0.07999251       0.14286379
Cl      12.63480960       3.89287341      13.95142780       0.84596337      -1.29828109      -0.27305864
Cl       7.21792013      13.31995520       2.78116793       0.23605665       0.64322991       0.06779739
Cl       8.60065325      15.27964878      10.57472526      -0.86999066       0.07793525      -0.77210620
Cl       0.25645233       1.22517400       2.44447721       0.01535420       0.27419129       0.17664597
Cl       1.95951607       5.77189613      10.08398692      -1.08606082       1.31633585      -0.49567409
Cl       2.21440630       1.89212629      11.80039306      -0.06821843       0.65938063      -0.34586837
Cl       2.84791221       8.60641431       3.48309642      -0.43426362       0.31360014      -0.51982025
Cl       0.35093681      13.24614273       4.98203495       0.36759937      -0.03711146      -0.93156584
Cl       4.07062688      16.05598682       2.11997024       0.64219654      -0.15906934      -0.12289164
Cl       5.14058491      11.73074404       4.59627041       0.54893179       1.51470788      -0.33036896
Cl       0.13546444      11.13136873       1.76878814      -0.48993231      -0.30338277      -1.69658229
Cl       3.62499257       9.09616826       8.67296494      -1.15853148       0.29555434       0.98620823
Cl       5.22848533       8.79814275       6.23687918       0.94840366      -0.64859286      -0.46128941
Cl       5.47805022       5.48613505       1.96782683      -0.88712286       0.38636777      -0.55973465
Cl       8.68671401       3.16659359       2.79769263       0.78816039      -0.63555896      -0.05730990
Cl       7.16778123       1.87450425       8.09445529      -0.23750422       1.09052948      -1.40219175
Cl       8.81303757       5.53169093       8.96092071       0.67459428      -0.02949425      -0.06367454
Cl       8.25203700       5.32046851       5.82376174       0.46645311       0.39643700      -0.66796190
Cl       9.64025684      10.19596434       1.47885231      -0.19252380       0.72387394       0.71249196
Cl      14.75642586      14.55152929      15.43338979       1.60177351      -0.71075228       1.20841132
Cl       9.35961131      11.91101494       4.95610215       3.65137673      -0.61468435       0.52526653
Cl       7.18646834       8.94462193      10.00288035      -0.11496270       0.26019162      -0.27172013
Cl       9.25628354       8.58784016      12.00800071       1.07628232       0.30692285       1.11843680
Cl      11.37005702      15.28568417      13.43687066      -0.32389615       0.05438928      -0.24724479
64
Lattice="16.1864 0.0 0.0 0.0 16.1864 0.0 0.0 0.0 16.1864" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.77598309 stress="-0.004422860936805901 0.004216273388527528 2.8537783791383608e-05 0.004216273388527528 -0.004876189115841079 -0.0012915258799412388 2.8537783791383608e-05 -0.0012915258799412388 -0.0024317235437218035" free_energy=-214.77598309 pbc="T T T" config_type=density 
Li       4.47571765       6.57313518       2.78197275       0.18746594      -0.93639171       0.31338253
Li       7.87440843       3.75602175       6.96848800       0.15893722       0.24574591       0.17144731
Li      11.88133556       6.36384502      14.51664335       0.43216464      -0.48954894      -0.54109374
Li       9.73851519       6.68488608       6.80626790      -0.39330571      -0.39003542       0.31463493
Li      13.68925933       3.33684255      12.53435969       0.68201858      -1.11568554      -0.58590495
Li       8.92775460       7.36685149      10.59013025      -0.13107833      -0.73012015      -1.51446736
Li       8.08988179       1.06342867      10.14257629      -0.58818638       0.40449509      -0.76127847
Li       7.99630821      12.13410239       1.55182416       0.94405918      -1.74566291      -0.61585021
Li      14.25668976       1.60905280       2.44563555      -0.10035586      -0.00081341      -0.03224958
Li      10.04672043       8.93793584       0.48365611      -0.46889611       1.48049111       1.15770007
Li       5.72054893      15.02941231       2.49079560      -1.06301790       0.83678540       0.04269252
Li       7.37649858      13.04083214       4.78732204       0.01799231      -0.39719321      -0.06019624
Li       9.99672064      10.62676007       6.79903257      -0.46492874       0.83207160      -0.08032471
Li       5.58929341       9.26904484       8.11297978      -0.45028847      -0.48513549       0.69201516
Li      10.54603850      15.30849822      12.67094053       0.51881441      -0.26301688       0.42435134
Li       8.21391817      10.53090421      12.10104976       0.26232109      -1.58147810      -0.42049533
Li      10.26946148       1.90980096       1.91459214      -0.43625073      -0.08251881       0.19988889
Li       6.45884301      13.76125643      11.27683827       0.07945289       0.15635600      -0.08090787
Li       6.90795086       3.70639424       2.05606127       0.38726871      -0.08303636       0.24836551
Li      16.12524357       7.23080479       8.81817267       0.18160289       0.16279078       0.04124283
Li       0.38136615      13.85350273       8.14700359      -0.14968103      -0.53078015      -0.91096075
Li      16.09162863      11.66163756       0.73948863      -0.18945963       0.26540447       0.04462770
Li      15.86061633      12.50324943       4.58615746      -0.30778474       0.45236362       0.65253905
Li      12.80711671       8.44185506       7.86587820      -1.02407735      -0.10403291      -0.22177957
Li       2.20787352       9.82721666       3.22549630       0.04168509      -0.00220095      -0.00529421
Li      13.54450435      13.78161892      14.77881447      -2.47949096       2.63028924      -2.27480864
Li       2.06504473       0.57496683       2.62948068      -0.94574279       0.23799544       0.04276231
Li       4.76409455       9.95045991       4.83071778      -0.11437966      -1.45987933       0.45835883
Li       3.88831319       0.02675628       9.70449137      -0.44228571       0.70496558      -0.04657624
Li      14.68601784       0.04176091      10.10303292       0.35910508      -0.02761607       0.23856103
Li       1.79884319       4.17942560       9.54353381       0.22432340      -0.85197568       0.09526796
Li       3.55835343       6.88151847       8.40040169       1.78900022       1.69638787      -0.83426408
Cl      15.14689321      13.58584442       6.46034834       0.28355608      -0.33455589      -0.50053469
Cl       9.00273000      16.00069343      11.58836172      -0.75871367       0.11027953      -0.32545549
Cl      13.95730611       1.76744158      11.29859279       0.21967635      -0.92147771      -0.86252100
Cl      12.25329904       1.95821449       1.76643802       1.23117002       0.02334379      -0.13481873
Cl      10.49822387       7.44498324      15.50545434      -0.18389671      -0.70569266      -0.28675609
Cl      10.71945959       8.74119015       6.97863687       0.83613051      -0.79597248       0.03887731
Cl      14.69077664       8.73162399       8.59471942       0.32181141       0.35503851       0.12031053
Cl      12.92199159       4.78015146      13.48361111      -0.75595926       1.81711019       1.19149488
Cl       0.30673228      14.79593968       9.91698643      -0.17644290       0.66015451       0.94609951
Cl       7.43436496      12.36822248      12.52213895      -0.10536923       0.60110325       0.55750431
Cl       7.29001465      13.79180017       2.30534802       0.43387029       0.90396386       0.75744479
Cl       9.22634512      12.42749707       5.96684119      -0.35475199       0.34020433      -0.19057103
Cl       0.01901044       0.99199485       3.06542899      -0.05572601      -0.06585916       0.11057836
Cl       4.02143015       0.22050895       2.53545388       1.24860140      -0.27083202      -0.07229253
Cl       1.84346910       6.31834505       9.14494371      -1.72484592      -1.35499943       0.83371071
Cl       4.17809831       8.07146166       6.39134572       0.72207759       0.10675680      -0.58570982
Cl       2.37585598       1.99257821       9.61818549       0.14211332       0.02223213      -0.00469080
Cl       3.81202669       8.33115627       3.07290711      -1.08792203       2.79521484       0.14981919
Cl       5.26622905      11.88810148       4.40478885       0.22818048       0.82857909      -0.05798097
Cl       0.82064724      11.62911908       2.91452318       0.09586677      -0.31997542      -0.42038429
Cl       8.88866444       8.31189445      12.32105531       0.46289875       1.14008974       2.08059534
Cl       3.20764270       9.19194902       9.10915558       0.44264310       0.23693614       0.31517974
Cl       8.29455882       2.31259953       1.61470347      -0.15731349      -0.76175737      -0.34411828
Cl       6.91011984       2.17843046       8.37458438       0.42803100       0.06289367       0.06423435
Cl       9.58720472       5.93391805       8.96987161       0.27666402      -0.28668511      -0.20435897
Cl       8.74575472       5.25277816       5.36015873      -0.15442777      -0.28137953       0.17059583
Cl       9.67174629      10.69895142       1.90220954      -0.18301279      -0.10456139      -0.29606931
Cl      14.55283614      12.70774840      15.73298656       3.21981083      -3.34042864       3.01012390
Cl       7.28075602       8.59301985       9.68616837      -0.83368334       0.73116122      -1.10636962
Cl       5.71354022      15.06348469       9.75182041      -0.06432318       0.07918389      -0.15267717
Cl       5.39947550       4.99072034       2.14095894      -0.35795622      -0.52202022      -0.53402436
Cl      12.44102890      14.93163027      13.52083983      -0.15575897       0.42293148      -0.41862164
64
Lattice="16.156 0.0 0.0 0.0 16.156 0.0 0.0 0.0 16.156" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.1105361 stress="-0.006636031278930519 0.004830301777924932 0.00017174120282856646 0.004830301777924932 -0.005736124164270417 -0.0006004146905599386 0.00017174120282856646 -0.0006004146905599386 -0.0029215525549628595" free_energy=-215.1105361 pbc="T T T" config_type=density 
Li       4.51589281       6.82292114       2.79896238      -0.17479003       0.02157856       0.10268743
Li       5.31666495       9.25661251       8.07074596       0.54321788      -0.09473725       0.11839689
Li      10.65711153       2.34415482       2.36966514       0.40527595      -0.02015159      -0.09739822
Li       8.05625402       3.47554334       7.60084870      -0.33474486      -0.33426339       0.77915835
Li      15.07808784       0.15038312      10.19726330      -0.11230960      -0.32235253      -0.17253642
Li      10.00221191       6.54505410       6.73958849      -0.14390461      -0.46178875       0.66544898
Li      14.53451922       1.14659455       1.95729940      -0.38089626      -0.11754797      -0.31030380
Li       8.99029701       7.35099616      10.66092434       0.00814436       0.19485422      -0.47029333
Li       7.55223529       0.35444325       9.51048790       0.25700513      -1.02409043       0.84518864
Li      10.45055707      15.25615927      12.19076830      -1.03043791      -0.39020175      -0.75214222
Li       8.06313648      12.09572255       1.84297954      -0.34101533       0.29846611       0.17422272
Li       8.08619109      10.53889808      11.57755116      -0.27860437      -0.60309004      -0.44682488
Li       5.49321772      14.91227881       2.62914666      -0.00031722      -0.19603928       0.04728101
Li       7.34057554      13.27919802       5.24166880      -0.13091423      -0.89643668      -0.40906198
Li       9.95403472       8.78345174       0.36897719      -0.32172297       0.25991649       0.05542290
Li      10.34525226      10.19094630       5.97676680      -1.10530828       1.19894247      -0.61144065
Li       0.08772708       7.19413755       9.59344896      -0.32632811       0.76782400      -0.18380881
Li      13.31091224       2.71750382      12.73569402       0.57134121      -1.22585953      -0.83534047
Li       7.35316106       4.29722135       2.40717938      -0.33693187       0.31367288       0.03278562
Li       1.76985749       4.09334878      10.22207892       0.02614897      -1.74055186       0.25012525
Li      13.30461140      14.46126791      14.17682538       0.30936179      -0.13753574       0.20449235
Li       2.26521660       0.61076627       2.32198879       0.15843557      -0.02269596       0.03834702
Li       3.55963532       6.86930502       8.76724727       0.29503809       0.91882484      -0.21409909
Li       0.15399091      14.14204151       7.23696711      -0.00533210       0.42266973       0.51709676
Li       3.85635642       0.46097915      11.08684497      -0.60306702       0.61423994      -0.12553781
Li      13.15442523       8.63281320       8.00500719      -0.00210895      -0.09688480       0.25984698
Li       6.26700934      13.78963068      11.14340713      -0.40830464      -0.15341897      -0.57413057
Li       4.31517066       9.42949787       4.66150684       0.26211634       0.35502089       0.59992090
Li      15.77996910      11.79412234       4.08738722      -0.24933708      -0.30128998      -0.98136233
Li       1.77598061       9.94689377       2.47094711      -0.51522298       1.04501531      -0.53375691
Li      15.59373889      12.63224715       0.27513022       0.69644275      -1.17864412       0.37173268
Li      11.73411896       5.83378620      14.73066921       0.48074477      -1.26725732      -0.45854881
Cl      15.07495357       9.01380399       8.91132648       0.10593564      -0.35108715       0.02043749
Cl       5.73434602      15.74142088      11.15652580      -0.08933046       0.73555546      -0.09465599
Cl       7.48976004      12.56904488      12.05353923       0.93954613      -0.84076178       0.93627522
Cl      11.20680327       8.73078318       7.03605109       0.47446294      -0.94470557       0.22435358
Cl       0.17787756      15.57398010       8.86171140       0.96699610      -0.60897848      -1.01730612
Cl      14.23099644       1.29034256      11.51884026      -0.35845621       0.66611075       0.77051130
Cl       9.04414496       8.71726061      12.42609659       0.25860434      -0.14351843       0.13799117
Cl      12.50377464       1.58132989       2.11769617       0.50248513      -0.32890251      -0.12193491
Cl      12.43648490       4.04555934      13.79392818      -0.81485020       1.30986435       1.15071850
Cl       9.04858786      10.53516604       1.16132398       0.69274848      -0.95406263      -0.32449528
Cl       7.04231962       9.32004097       9.61842613       0.51830577      -0.01437426      -0.17497712
Cl       0.33943918       1.17579167       2.50881677      -0.13419213       0.23125263       0.38082812
Cl       4.20337114       0.17689851       1.87571160       0.42739838       0.19501705      -0.36580932
Cl       1.83910210       6.05051894      10.01783476       0.08464035       1.12994690      -0.07031268
Cl       4.33617346       7.62070442       6.65560960       0.23189914      -0.05919490      -0.99393426
Cl       2.52653990       2.25434362      10.98755020       0.00960680      -0.30045160       0.05690951
Cl       2.96672628       8.51564988       3.03511463       1.08464888      -1.45372300       0.44960797
Cl       0.28033407      12.74254416       5.71668751       0.28843021      -0.06205425       0.23760326
Cl       0.25406764      11.32388580       1.85753610      -0.36842788       0.08494869       0.36041135
Cl       5.19253840      11.53586868       4.29815840      -0.65505341      -0.53050544       0.31682167
Cl       3.67492454       9.10434221       9.38287165      -1.00919173      -0.09492849       0.70605591
Cl       5.38250065       5.03912102       2.04850002      -0.18775775       0.10627278      -0.09614554
Cl       8.79259604       2.87895073       2.70795563      -0.82843690      -0.16050819       0.25314659
Cl       6.84390778       2.01988774       8.74100993      -0.61150679       1.38203248      -0.85690016
Cl      10.22684494       5.94762137       8.96698390      -0.16697064       0.46965694       0.46901705
Cl       9.08854164       4.46703706       6.17220593       0.47704714       0.74678096      -1.20875537
Cl      10.98310730       7.55756677      15.23822611      -0.12593714       0.97853153       0.28544443
Cl      14.71876224      14.26481095      15.84150730      -0.62709327       1.26310982      -0.41716970
Cl       7.10368011      13.57146006       2.88906439       0.31592003       1.10233630       0.52646265
Cl       8.45973397      11.30134818       5.48596367       0.49247400       0.15150628       0.10144561
Cl       9.06346753      15.52958341      10.66908312       0.17984213      -0.13552213      -0.47791330
Cl      11.85370567      15.74413509      13.47324773       0.71453857       0.60416838       0.95070012
64
Lattice="16.1982 0.0 0.0 0.0 16.1982 0.0 0.0 0.0 16.1982" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.72861565 stress="-0.003759658268507422 0.004464897556942307 -0.0009596051896153098 0.004464897556942307 -0.005023510632667447 -0.00042760722576136104 -0.0009596051896153098 -0.00042760722576136104 -0.0030610643585294293" free_energy=-215.72861565 pbc="T T T" config_type=density 
Li       4.52621443       6.79171088       2.86003518      -0.07785141       0.72922895       0.40514810
Li       8.17612244       3.40687022       6.97823315       0.14923102       2.06454777      -1.39041151
Li      16.08714514       6.87048273       8.77505089       2.21940426      -2.09946427       0.12355716
Li       9.58630534       7.15382164       6.50430622      -0.70964415      -0.63615610       0.64893792
Li      14.26031214       1.31889146       2.56759288      -0.21797343       0.41748225      -0.06921489
Li       8.95903004       7.47456220      10.67406306      -0.33669530       0.08860335      -0.77056366
Li       8.58886878       1.17650766      10.22195510       0.05505873       0.00469461       0.06102905
Li      15.09775908       0.44010509      10.50539120      -0.80363559       1.11522241       0.31763579
Li       8.47672864      12.11515212       1.79043564      -1.72530587       1.64378830      -0.19487818
Li      10.09442667       9.14786866       0.60983955       0.16532861      -0.82191212      -0.74511348
Li       5.35954703      14.77355211       2.51457617      -0.59415902       0.08954086       0.06455819
Li       7.65672716      13.00984350       4.67212782      -0.68933692      -0.19467436      -0.00817548
Li       8.18530682      10.65880436      11.99288811       0.18956597      -1.56504581      -0.82320244
Li      10.10532806      11.14745546       6.89716116       0.00690288      -0.63068134       0.31778428
Li       5.55356907       9.40127330       8.19764985       0.41852841       0.07888664       1.28946910
Li      10.68669766      15.42914186      12.67912485      -0.66877474       0.33244342      -0.24337659
Li      10.22007611       2.37789576       1.80065670       0.16687029       0.01875283       0.04147160
Li       6.41113417       3.81344504       1.33862735       0.00372035       0.04700678      -0.05535262
Li      12.77153558       8.42267524       7.91866825      -0.16930336      -0.03159209       0.28355277
Li      13.47286905      13.62908449      14.75733771       0.46806533      -0.41654379       0.52327278
Li       1.69554658       0.11908431       2.69424661       1.08812186      -0.00525977      -0.25595232
Li       3.43179925       6.97415121       8.47480105       0.33610993       0.36622571      -0.29255646
Li       3.88670950       0.64236554       9.58790896       1.46426581      -0.86921707       0.90693490
Li       1.80349139       3.38244333       8.88529584       0.04446805      -0.16425559      -0.04493335
Li      13.66625936       3.25070337      12.33306651      -0.32999659       0.13309905       0.06102678
Li       4.99853775       9.84132980       4.86587449      -0.01136237      -1.18295223       0.89211731
Li       6.23376388      13.65490442      11.26090765       0.25331616      -0.14112402       0.12550082
Li       2.26248359      10.19185885       3.22805829       0.08927142       0.55903936       0.15771724
Li      16.14552345      11.41260379       1.06293560       0.27517520      -0.31619051      -0.41521397
Li      11.78506520       5.96621821      14.50195689      -1.11809659       0.97759981       0.31500573
Li      15.97498232      13.95027860       8.32252177      -0.17320747      -0.19017115      -0.08417297
Li       0.10285857      12.61684277       4.59568851      -0.19243160       0.46131048       0.11887367
Cl      12.35890264       1.95492836       2.27398431      -0.98191166       0.32746035      -0.16284051
Cl      15.84482007       0.12878606       2.85352351       0.29837568      -0.83303939       0.32239314
Cl       8.88963695       0.15226308      12.00894052      -0.11708378      -0.12656953       0.39750380
Cl      13.38279086       1.76558760      10.68982391       0.15118060       0.27039163       0.24981083
Cl      14.87108147       8.26587667       8.77163307      -2.38605489       2.24409347      -0.26717459
Cl       0.36170581      13.11231331       6.58178221       0.27650959      -0.33742947      -0.56467108
Cl       9.11979718       8.72088411      12.40351248       0.34127653       0.05661327       0.72044886
Cl       7.68596491      12.52955067      12.47068641      -0.35134203       1.37673096       0.40204683
Cl      13.26224385       4.76847471      13.96654159       1.24382394      -1.18723491      -0.62058249
Cl       7.21292887      13.86295410       2.58879632       1.33496574      -0.27378252      -0.13400962
Cl       8.36701823      12.25367913       6.54941821      -0.03828541       0.31469797      -0.04892602
Cl       3.75887330      15.97958099       1.81729226      -0.54592495       0.18951332       0.10869435
Cl       4.84664722       4.86853099       2.28891905      -0.26844147      -0.53670158      -0.14220158
Cl       1.70165331       5.48905164       8.77804755      -0.26431742       0.19850273      -0.08793740
Cl       2.37541744       1.36229292       8.59782638      -1.45498994       0.59484771      -0.93689648
Cl       3.67067410       8.81371599       3.39298836       0.61865943      -1.35997603      -0.51683325
Cl       5.25474467      11.73867356       4.27972642       0.22808492       1.38402213      -0.31054310
Cl       0.47337620      11.22510963       3.06354937      -0.35093825      -0.19517153       0.17438847
Cl       3.41082258       8.69579309       9.69133447       0.00556482       0.28623177       0.37708053
Cl      16.02814644      14.98239550      10.02950429       0.74361200      -0.68541768       0.73049075
Cl       4.58966278       8.35708873       6.66316197      -0.14832988      -0.42966362      -1.07897662
Cl       8.10634060       2.57899641       1.42648800       0.33383657      -0.33680850      -0.03965452
Cl       8.05599659       2.23050834       8.51908693      -0.38344342      -0.95943939       0.72203998
Cl       9.40759060       5.93777417       9.09882051       0.32515014      -0.00150619      -0.14433995
Cl       8.00984792       5.69706892       5.74386552       0.26416703      -0.42388918      -0.10672738
Cl      10.56177714       7.45275942      15.50613191      -0.01035116       0.04612209       0.35864905
Cl       9.82634646      10.76678156       1.85712363       1.40331249      -0.83696743       0.64979954
Cl      14.81560264      12.48134483       0.03126253      -0.85543553       0.71465981      -0.71065559
Cl       7.56841457       9.37616609       9.43057584      -0.29676469       0.26653613      -0.16215059
Cl       4.97127617      15.22041186      10.52842504      -0.08408473       0.19676117      -0.07369345
Cl      10.56924451       8.93972179       7.45492998       0.79188535       0.45824698      -0.27647995
Cl      12.33803935      14.36461235      13.18933576       0.60166447      -0.26406690      -0.08852724
64
Lattice="16.2269 0.0 0.0 0.0 16.2269 0.0 0.0 0.0 16.2269" Properties=species:S:1:pos:R:3:forces:R:3 energy=-215.27125301 stress="-0.0026579343093108255 0.003208537238193609 -0.0005641949509590547 0.003208537238193609 -0.004302601405179611 0.0002918316644556545 -0.0005641949509590547 0.0002918316644556545 -0.002568854910605871" free_energy=-215.27125301 pbc="T T T" config_type=density 
Li       4.38381062       6.63663983       2.21336539      -0.44978841       1.92845608       0.91921665
Li       9.08131968       1.05781376       9.85662473      -0.35425383       0.83626231      -1.18823052
Li       9.64801171       8.22429595      10.28827650      -1.03606471       0.03952734      -0.11182646
Li       8.33570985      12.33606260       2.30722178       0.20563437      -0.00362761       0.41557865
Li      10.11963033       9.76955119       0.29221888      -0.33283584       0.76110884       0.75637059
Li       7.33173532      13.87344779       5.63172414      -0.50833150      -0.03290866      -0.65446418
Li       5.27228208      14.66066339       2.31191135       0.45200981      -0.29221277       0.34688311
Li       9.86241774      10.91293101       6.81987399      -0.59681961       0.16440030       0.07879975
Li       5.80872717       9.87406865       9.08940067       0.12052057      -0.27868807      -0.48631732
Li       5.88643779      14.23736847      12.18859253       0.65963290      -0.47111212       0.37988730
Li       7.65161620      10.78684800      11.92727453      -0.04499305       0.81227548      -0.40355745
Li      14.02385492       1.01356301       2.20254204      -0.39791305       0.18512692      -0.01148280
Li      15.93053190       5.85344850       8.00674191       0.57147288      -1.39017481      -0.23719481
Li      13.31865007       3.29607284      13.07875158      -0.11501537       0.07944238       0.05702215
Li      11.65604190       6.61150436      14.75692136      -0.03885723      -0.06616875      -0.00703005
Li      15.48057619       0.28833579      11.49474651      -0.09683530       0.07454029       0.44763001
Li      15.54817745      11.68283251       1.31864171       0.33134263      -0.07664896       0.84054451
Li      12.79435894       8.33236711       8.13816357       0.20997825      -0.32781945      -0.00701453
Li       0.10855796      14.15198252       8.46286384      -0.06242889      -0.07552070      -0.29242390
Li      13.57268219      13.01040388      14.52323777       0.37070509      -0.59941783       0.43758398
Li       9.73943406       7.07320835       6.59730583      -0.27117245       0.35386143      -0.37807009
Li       8.87358290       4.07382815       6.87540244       0.24387387       1.07326698      -0.47206900
Li      10.95463415      15.24989458      12.46837674      -0.20512377      -0.03774164      -0.02100454
Li       3.47831715      16.21709441       9.55522629      -0.74307885       0.60241693      -0.79778543
Li       5.10269475       9.41056348       4.84702371       0.61642658       0.90629535       1.18897244
Li       2.14696491       3.26395980       7.08651441       0.11405073       0.09332446       0.10637905
Li       0.06957803      11.81214468       5.25321547       0.32477877      -0.76423863      -0.57486072
Li       3.02198427       6.72497907       8.84361182       0.81905397       1.02909844       0.36278087
Li       1.65223918      16.11402179       2.11103856       0.14267681      -0.03034455       0.00587808
Li       2.33297387      10.09731834       2.95697931      -0.81589648       1.42785672       0.08276965
Li      10.00312119       2.32362717       2.22397778      -1.07798710       0.22221106      -0.11134667
Li       6.63410843       4.05924017       1.66617809       0.55244162      -0.27922562       0.08474278
Cl      15.92762728      13.41104604       6.40018144      -0.21296618       0.88380763       0.76551721
Cl       1.75945031       5.26820913       8.03731339      -0.14348556      -0.85504469      -0.44192460
Cl      11.96550511       1.83824814       2.32142031       1.15146771      -0.33404131       0.09426470
Cl      14.23731979       1.76031034      12.08895937      -0.25445654       0.12605205      -0.14186236
Cl       4.78928840       4.96590198       1.31089498      -0.23261936      -1.07945919      -0.76580621
Cl      14.66230230      11.69714464      15.73595514      -0.04902762      -0.29755721      -0.46357512
Cl      12.47442938       4.81491068      14.16139413       0.02311161      -0.06525596       0.19136912
Cl       2.73220429       1.35475630       7.73536323       0.10299769      -0.51929446       0.27701071
Cl      14.92618415       7.45131135       8.30517082      -1.43599452       1.84763672       0.26284463
Cl      16.14271484       1.09054180       1.88499784      -0.08177002       0.08911487       0.02630339
Cl       3.84820933       8.88195598       3.17359219       0.97831030      -2.48833176      -0.75203788
Cl      10.90472020       9.21220585       7.52447844       0.52922608      -0.05794436      -0.09717013
Cl       8.43621927       2.45516242       8.08667562      -0.03601212      -0.96227436       0.62763218
Cl       7.52376445      12.88099435      12.90182969      -0.27781058       0.05458907      -0.13296388
Cl       8.17251592       8.85961154      12.20882748       0.97856789      -1.96832066       2.18594464
Cl       9.89152879       6.38663198       8.57865900       0.19726184      -0.51835766       0.97632925
Cl       7.88218422       2.31849947       1.54318468       0.19617308      -0.07852914       0.08844275
Cl       9.41145596       0.18230273      11.64273584      -0.12812439      -0.18314566       0.63776143
Cl      10.79926158       8.39914080      15.24593521       0.17587112      -0.15181620      -0.58210204
Cl       4.82086595      15.48331853      10.88862312       0.22184286       0.00140575       0.19030429
Cl      12.53480967      14.30299006      13.45333334      -0.19584276       0.68869208      -0.53651966
Cl       7.26246268      14.23670317       3.10633169       0.25428976      -0.00958763       0.14850977
Cl       0.23308644      15.22034539      10.33148873       0.85503142      -0.79664291      -0.66312928
Cl       3.99589035       8.65502279       9.00836354      -1.20132753      -0.49039796       0.67128145
Cl       7.87877657       9.74418854       9.65797502       0.51409215       1.29779863      -1.36473176
Cl       3.37407554      14.97716907       1.56204521      -0.55752545       0.01584132      -0.32141732
Cl       0.22494702      10.84427500       3.22581036      -0.09635624       0.00438189      -0.09782705
Cl       8.91283577      12.54300425       5.80600105       0.46797823      -0.04901293       0.01961956
Cl       6.18355233       9.19937037       6.97462993       0.21945024      -0.02331414      -1.64034330
Cl       4.63456491      11.74845410       4.36648029      -0.15220761       0.12654081      -0.05643362
Cl       9.05735255       5.61647085       5.03538557      -0.00339622      -0.35721997       0.20888535
Cl      10.13967055      10.93561622       2.14191835      -0.39395268       0.28606620      -0.07053732
64
Lattice="16.2486 0.0 0.0 0.0 16.2486 0.0 0.0 0.0 16.2486" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.31220296 stress="-0.005286582789961531 0.0027674918810049838 -0.001452189721029788 0.0027674918810049838 -0.003622880470632318 -0.00011623590531923458 -0.001452189721029788 -0.00011623590531923458 -0.004026716047559492" free_energy=-214.31220296 pbc="T T T" config_type=density 
Li       4.31980405       6.98943278       1.86958016       0.11540038       0.54443220       0.39734177
Li      14.04010654       3.41964786      13.47683257      -0.40360614       0.75940955       0.18245055
Li       6.83924697       3.58819459       2.07795221       0.11001679       0.17075156       0.20545971
Li       9.12566872       4.15351588       7.20706653      -0.23428395       0.08202788       0.12636345
Li      15.84275872       6.04527538       7.81104324      -0.04920127      -0.08782906       0.01862987
Li       9.61679890       7.30093469       6.33300559      -0.50788680      -0.86959251       0.51112890
Li       9.28573368       1.09056866       9.48492527      -0.64200422       0.44172658      -0.76755547
Li       9.42235191       9.15857214       9.78856286      -0.24440761      -0.27855185       0.53093253
Li      14.20103267       1.57818915       1.92344427      -1.56681325       0.25671111       0.38874615
Li      11.24669597      14.87689319      12.19574420      -0.51447529       0.07448263      -0.23929420
Li      10.50421619       9.78086102       0.67074383      -0.06192950      -0.00163227      -0.09678305
Li       7.62498052      11.26118972      12.39113361       1.22099123      -2.17718152      -1.09065159
Li      10.15703236      11.23039862       7.29086056      -0.41133383       0.27931720      -0.18441255
Li       5.73751065       9.11624453       8.90272168      -0.92696370      -0.43530760      -0.68260487
Li       5.81204298      14.34878119      11.63326641       0.36384845      -0.47514318       0.34587603
Li       8.51556629      12.65372724       2.54713054      -0.85940018       0.54863560       0.48092981
Li       3.82347431       0.02356047       9.25062045       0.06470460      -0.34464636       0.18217768
Li      10.26394815       1.87094505       2.30060678       1.18513426      -0.22328478       0.25357737
Li      11.89977595       6.51937703      14.84407102      -1.69848906       1.79038140       1.44625575
Li       2.93145867       6.43046469       8.27255223       0.15402518      -0.61282295      -0.01530419
Li      13.61754544      13.04067140      14.82150171       0.03378334       0.48798516      -0.45861057
Li       2.39871582       2.89257577       7.16031931      -0.01700841       0.37929292      -0.08860794
Li       4.50861278       9.57273270       5.36704257       0.26701324       0.44829860      -0.00421445
Li       0.21982731      14.17942203       8.44772838      -0.12445797      -0.51871620      -0.43090457
Li      12.57001445       7.89833072       7.95695567      -1.44977436       1.13649495       0.00874268
Li      15.07129144      11.17822437       1.64148232      -0.45822249       0.10598795      -0.39860163
Li       1.70624924       9.97842775       2.88344406       1.49205533      -0.56155929      -0.19215095
Li       0.18145462      12.36177239       4.91349540       0.20692573      -0.33758117      -1.16618591
Li       4.60852542      14.34727007       3.07257776       0.54022366      -0.54401912       0.42762339
Li       1.41167024       0.15419921       1.62129831      -0.72512132       0.52234471      -0.44799546
Li      15.74023005       0.45173545      11.32423429      -0.09409886       0.04844490       0.06223521
Li       7.07527414      13.50344778       5.68743246      -0.88352050      -0.40675187      -0.11824426
Cl      16.16366857       1.62625738       1.55838210       0.82675698       0.24235834      -0.30996183
Cl      13.78222501       6.48983708       8.13952494       2.04650148      -2.01892836       0.18879361
Cl       0.19124602      13.16229217       6.65064947      -0.10040033       0.40380202       1.04756602
Cl      12.22942755       2.41101601       2.66416920       1.07801437      -0.10484626      -0.05858981
Cl      14.64429448       1.58342282      12.74525560       0.10472407      -0.42544422       0.02383299
Cl      12.93174078       5.33920872      13.80835275       1.70148343      -1.86631629      -1.42537328
Cl      13.84853554      11.60122417      16.17873102       0.29960731      -1.00734280       1.02581022
Cl       6.81719762      12.92116295      13.03371700      -0.87322386       1.61633085       0.49882134
Cl       9.48456780       9.64019689      12.02126673       0.57456499       0.38024896       0.50857628
Cl      12.60236541      14.12065085      13.42400837       0.72037543      -0.07430987       0.35150104
Cl      10.07840538      11.42845281       2.06175236       0.68925448      -0.39594818      -0.18136926
Cl       5.97038558       8.93175793       6.78785265       1.04719197      -0.32959000      -0.88235636
Cl       5.55463266       5.27520548       1.74732570      -0.32953181       0.12098227      -0.13011579
Cl       1.53343725       4.97353397       7.48553504      -0.23372210      -0.25606420      -0.18136687
Cl       2.70015985       0.97488188       7.87085434      -0.53660814       0.15858330      -0.84129999
Cl       3.75609137       9.30615817       3.06310483      -0.20062567      -0.76865218      -0.43949264
Cl       4.90061026      11.80520910       5.26123169      -0.40577772       0.58205978       0.00537948
Cl      16.21042928      10.82280249       3.43261424      -1.02367251       0.08240030       0.15805440
Cl       2.97414374      15.44559419       2.32993550       0.67612946      -0.60160377       0.32773965
Cl       3.67826058       8.22648745       8.59549315      -0.70760472       0.70081299       0.76416734
Cl      11.02945219       9.26888388       7.90492765      -0.81637361       0.91553771      -0.23713314
Cl       0.47880725      15.52985943       9.86489878       0.31193988       0.64553072       0.95901771
Cl       8.37213990       2.12690924       2.03749320      -1.75977413      -0.14720259      -0.37878139
Cl       8.59182097       5.40790780       5.49041819       0.00313999       0.43451236      -0.79210341
Cl       7.96204148       2.17079671       7.54791341       0.66104963      -0.31162738       0.74409378
Cl       9.97789154       5.98205208       8.37717696       0.38912175       0.44058572       0.12543573
Cl      10.15592745      15.93132171      10.85698955      -0.44666662       0.39262156      -0.56868868
Cl       6.74398143      13.84067122       3.50035466       0.44127103       0.36482115      -0.68891191
Cl       7.24770428       9.79649217      10.00598537       0.48660361       0.86133085       0.46717995
Cl       8.95411600      12.79931469       6.27416941       0.90560846      -0.32253838       0.31547496
Cl       5.24951645      16.14561637      10.71180831       0.39047954       0.20740276       0.39963068
Cl      10.52667176       7.82542325      16.02745655       0.19903990      -0.12161232       0.01812001
64
Lattice="16.2622 0.0 0.0 0.0 16.2622 0.0 0.0 0.0 16.2622" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.43864524 stress="-0.005160572943494545 0.0034662762256679166 -0.0013602690812650762 0.0034662762256679166 -0.007930542978248906 0.0007081079047536681 -0.0013602690812650762 0.0007081079047536681 -0.0037819829670054815" free_energy=-214.43864524 pbc="T T T" config_type=density 
Li       4.46642949       6.96404322       2.33201574       0.53474112       0.28255533      -0.51012071
Li       9.14748750       7.06543803       6.42046292       0.25681366       0.55802086       1.03616869
Li       9.61247258       1.07362394       9.53542228      -0.25912416       0.60398084      -0.59290898
Li       8.49330798      12.33222796       2.51629899       0.05050172       0.04918084      -0.01609582
Li      10.34667839       9.34001569       0.74144248       0.20831090      -0.90814023      -0.91961025
Li      10.35695610      11.15552769       7.29416588       0.06143720       0.09747660       0.03873805
Li       5.48694759       8.82866707       8.93843692       1.51618446       1.03374953       0.43240025
Li       6.91055684      12.71861783       5.19531756       0.15709827      -0.42894762       1.02832548
Li       9.55784785       9.18406119       9.96596403      -0.65064863      -0.26126359      -0.69687803
Li       9.02729358       4.23635189       7.25352664       0.38141072       0.50504801      -0.10461557
Li       6.18396175      14.38237099      11.62020380      -0.80044928       0.92168489      -1.15273330
Li      14.11300391       1.68159279       2.18329792      -0.02862994      -0.07202202      -0.11352171
Li      15.81368852       5.63241297       7.74864558      -0.77195504       0.33458097       0.10052751
Li      12.26368279       7.83680297       8.27425615      -0.15743987      -0.89443485       0.45869283
Li      13.93468889       3.64845709      13.17096719      -0.03031682      -1.02026249      -0.26664240
Li      11.98446081       6.45510141      14.74605883       0.40119870      -0.39695200      -0.50584783
Li      16.01003833       0.66751940      11.58223156      -0.18242791       0.07774172       0.21185045
Li      15.09774517      11.57686503       1.82507418      -1.34341396       0.34174411      -1.16990277
Li      13.53628125      13.49108860      14.79536582       0.27162185      -0.11324309       0.28830249
Li       8.08223209      11.22452821      12.28856395      -0.20691162      -0.21477317      -0.44913653
Li       6.54825129       3.86635431       2.16739349       0.39241395      -0.11539952       0.16573075
Li      11.46407041      15.46349831      12.23172757      -0.38234845       0.36469118      -0.15591612
Li      10.10718497       2.34398472       2.33655290       1.23354000       0.03174943       0.34036952
Li       1.93650278       9.80376484       2.82811042       0.57255365      -0.33849629       0.05359644
Li       4.23103415       0.49259505       8.88360078       0.71897489      -0.14886175       0.27505719
Li       1.90944248       2.62481665       7.59646391      -0.39344649       1.10116247      -0.27614842
Li       0.29667945      12.44316869       4.82670227      -0.03183408       0.63314003       1.01858932
Li       3.01130410       6.18405932       8.02648527      -0.20664629      -0.80226470       0.15995427
Li       4.47098291       9.33097390       5.33795331       0.33687096       0.58674376       0.28206081
Li       4.55795315      14.48857942       3.11517077       1.75682367      -1.18787803       0.62554393
Li       1.46936132       0.23267956       1.57818471       0.38291058      -0.07528059      -0.04016831
Li      16.24738855      14.62734477       8.22259114       0.30829826       0.38295110       0.76508518
Cl       1.52278102       4.74609055       7.40110610      -0.17745168      -0.03942887      -0.17268165
Cl      14.65045336       1.90431988      12.68316624       0.57104845      -1.43745904      -0.38736275
Cl      10.84906653       9.20092509       7.86542444      -0.87168781       0.70714626      -0.05008243
Cl      13.51484767       5.41001112      13.64668533      -0.44424649       2.50762800       0.66005520
Cl       2.45843809       0.79373684       7.93714074      -0.48836850      -1.22311226      -0.41803160
Cl      15.62777905      13.47376935       6.58155627      -0.00959592      -0.45127613      -0.75243275
Cl      13.80649396       6.56508266       7.88163785       1.43023210      -0.72515194      -0.27184988
Cl       4.95120567       5.15905285       1.86140394      -0.12522355      -1.35324932      -0.56980844
Cl      15.93102030       1.08061343       1.15093281      -0.60415460       0.35620751      -0.18089134
Cl      13.61837283      12.18838880       0.08895423       0.60261828      -0.90216277       1.39177928
Cl      10.72174977       7.66744842      15.74076882      -0.55886189       0.32023617       0.45069905
Cl      12.00670750       1.48113841       2.45469778       0.45581965      -0.19320242       0.09874935
Cl       9.57719987       9.57297170      11.97307727       1.13659823       0.28313410       1.44449205
Cl       7.17582585      13.27528920      12.81967114       1.19656272      -1.49440857       1.47752586
Cl       9.09715599       5.41111695       5.24098182      -0.38446599      -0.87214069      -0.95942467
Cl       5.43046897      15.82404755      10.27969439       0.09977055       0.17430949       0.04443745
Cl       8.50968402       2.65319419       8.61259122      -0.32226612      -0.22110376      -0.03988704
Cl      10.17047745       5.97793593       8.34052461      -0.04918110       0.41076153       0.07725983
Cl       0.41550409      15.39862839      10.33750651       0.05939376      -0.45052641      -0.54590078
Cl       3.97158701       7.88949249       7.99443247      -1.48515941      -0.19671767      -0.23185404
Cl      10.04825076      10.81592417       2.00644650      -0.41232729       1.30224519       1.09240917
Cl       3.55376230       8.34628143       3.36546229      -1.17778717       1.54173542       1.00300562
Cl      12.90992635      14.56491419      13.25829520       0.65497616       0.16756085      -0.36746912
Cl       2.90275391      15.40282404       2.65590998      -1.20626704       0.52254146      -0.15496433
Cl       9.36517331      12.75610220       6.56895307      -0.79638393       0.67730349      -0.72506499
Cl       6.07796473       9.46547856       6.76463612       1.36163590      -0.13557296      -0.18534290
Cl       0.57552088      11.46259055       2.95624029       0.47707897      -0.09755924      -0.04581722
Cl       4.81629446      11.89727916       5.23447694      -0.95967074       0.04851478      -0.38161775
Cl       9.97033856      15.90987944      10.91896147      -0.35887651      -0.53044753       0.15456329
Cl       8.20873574       2.58487669       2.02192811      -1.56063665      -0.06397891      -0.36774254
Cl       7.04385809       9.69823943      10.38975696      -0.60825742       0.01589742      -0.48010997
Cl       6.71721555      13.59227200       3.24343074       0.45902304       0.42429507      -0.91738639
64
Lattice="16.274 0.0 0.0 0.0 16.274 0.0 0.0 0.0 16.274" Properties=species:S:1:pos:R:3:forces:R:3 energy=-216.05096278 stress="-0.003449615259795957 0.003497309695607812 0.00039961736533161127 0.003497309695607812 -0.004585235712859056 -0.00042566452483838415 0.00039961736533161127 -0.00042566452483838415 -0.0036305581010759934" free_energy=-216.05096278 pbc="T T T" config_type=density 
Li       4.18129509       6.57723474       2.94598458       0.64745677      -1.27845401      -0.62655537
Li       6.55065930      14.40883686      11.32489759       0.19468630      -0.17014194       0.00532443
Li       6.64036159       4.00919754       1.98513507       0.40925951      -0.28566745       0.27633477
Li      15.42077045       5.41476665       7.63248973       1.76324989      -1.65646842      -1.24568083
Li       8.88688965       4.07201518       7.18010507      -0.26015970       1.85841981      -1.13246878
Li       9.37117134       7.46437931       6.49099882      -0.45825991      -0.81638609      -0.03671213
Li      13.74707092       1.43097119       1.98124558      -0.56489841      -0.01455495       0.06970537
Li       0.12303160      14.79479104       8.09854454       0.02274040      -0.22766417      -0.23033626
Li       9.51249475       1.40652764       9.65411110      -0.18700420       0.12756486      -0.14928580
Li      11.42984861      15.45733813      12.50064526      -0.08538111      -0.15764733       0.25957715
Li      10.08350059       9.38679438       0.45186877      -0.42293956       0.97224390       0.48231171
Li       6.72454699      12.28276895       5.31521859       0.32421138      -0.29228515       0.66622142
Li       8.70310736      11.11034117      12.09386036      -0.83278246       0.48546893      -0.41230353
Li      10.11512097      10.84676747       7.08260754      -0.51482387       0.70035551      -0.11422268
Li       5.68646108       9.13843686       8.99758539       0.07182974      -0.19184664      -0.12777017
Li       8.18289268      12.13023275       2.35898140       0.32147568      -0.10780553      -0.44810569
Li      12.39865611       7.58599491       8.41250255       0.11903713      -1.11942588       0.06158070
Li      10.11461648       2.73022388       2.40599698      -0.99740463      -0.06148892       0.09293649
Li       5.21044658      14.46813932       2.82218826      -0.43366948       0.24173304       0.06793299
Li      13.52358008      13.88974508      15.19846761      -0.48136938       0.64632479      -1.71793043
Li       1.44437120       0.28507491       1.89388675       0.26949579      -0.09968120       0.19914205
Li       2.88505472       5.98028815       7.90865951       0.41544753       0.07438121       0.08116448
Li       1.14649679       2.50621227       7.74512208       0.85739536      -1.25035060       0.17983443
Li       4.61917961       0.09094123       8.75751135       0.15965117      -0.05732684      -0.02094467
Li      14.11569330       3.65274812      12.99215261      -0.20549404       0.38428529       0.12865366
Li      15.27090319      12.12935395       1.77935034       0.03878952      -0.08864961      -0.05726985
Li       4.55012903       9.43003440       5.25153843       0.28738991       0.32464459       0.11265699
Li       9.36160223       8.74864202      10.25574461       0.31624062      -0.12135572       0.06473040
Li       1.99405322      10.02309150       2.95377982       0.12624761       0.31980721       0.04748585
Li      11.87468213       6.65785614      14.66360633       0.15899109      -0.20461068      -0.29607743
Li       0.38279377      12.59062421       4.92706742       0.41699064      -0.31105517       0.00751515
Li      16.01581299       0.40356916      11.69338977       0.17472468      -0.45426329      -0.56656142
Cl      15.69301820       1.05855047       1.57654050       1.02312326      -0.28605485      -0.22841264
Cl      15.22258568       1.78763380      12.99599328      -0.16291612       0.50975836       0.38549793
Cl      10.40274765      16.25279498      10.93630701      -0.28256882       0.05104908      -0.32746396
Cl      13.97741312      13.20514672       0.64643095       0.07319943      -0.43984314       1.63097833
Cl      14.24534826       6.56302754       8.47022642      -1.42935496       1.66058096       1.30575904
Cl      11.02161532       9.05145233       8.25894108      -1.21415679       1.37911336      -0.37374924
Cl      13.03755707       5.63815985      13.40705824       0.98045118      -1.05345016      -0.91608732
Cl       7.32852395      12.75137878      12.30604077       0.05019610       0.06477154       0.49416005
Cl       9.87333816       9.49443061      12.30154915       1.55792932      -1.05333738       0.58492243
Cl      12.16925780       2.62447543       2.67432269       0.27977907       0.22828920       0.16870420
Cl       9.71549663      10.95375274       1.91144640       1.05221338      -0.74852466      -0.29831525
Cl       6.15581951       9.25739980       6.77494757       0.37731206       0.00829881      -0.12541123
Cl       4.78847803       4.87884756       1.46861458      -0.55067716       0.65974014       0.31927278
Cl       1.23397280       4.63244292       7.75280341      -0.51823944      -0.01067903      -0.19163603
Cl       3.17362529       1.04334730       7.62762380      -0.96910135       0.71619869      -0.52788125
Cl       3.73738920       7.66202704       8.74615209       0.14025512       0.44672566       0.22366503
Cl       3.37259121       8.43429343       3.30729992      -0.18986593       0.49790503       0.42022701
Cl       4.64308612      11.65387650       4.71675852      -1.15722725      -0.43859807       0.13880961
Cl       0.15204391      11.25753950       3.31379325       0.25834097      -0.79621893      -0.13231433
Cl       3.24804629      15.49302701       2.76760526      -0.25556348       0.01734944      -0.21947311
Cl       5.71186479      16.12437684      10.53599916      -0.00215495       0.46641322       0.12004338
Cl       0.11840604      14.21784520       6.03794693      -0.26163786       0.78846215       0.40105567
Cl       7.89510326       2.24119018       2.37174021       0.33986149       0.12907762      -0.13836794
Cl       8.22818322       5.84674371       5.23990252      -0.18820170       0.13078234      -0.30268237
Cl       8.85894719       2.23180009       7.80255303      -0.17663464      -1.82149410       0.45493734
Cl      10.06117266       5.75403073       7.80925791       1.01261959       0.76332300       0.91319476
Cl      10.73708071       7.74738417      15.82286845      -0.51445110      -0.19685137       0.52582858
Cl       6.83604017      13.16330627       3.32523387      -0.45485702       1.46393480      -0.17719397
Cl       7.50511313       9.79356301      10.32738276      -0.98403203       0.10472003      -0.70605358
Cl       8.95177408      12.78143686       6.04085998       0.19786130      -0.93620840       0.36829495
Cl       0.50880173      16.14603754       9.62358108      -0.14332252       0.54086954       0.63908466
Cl      13.22417103      15.06280755      13.47980302       0.46069690      -0.01420242      -0.05027650
64
Lattice="16.3034 0.0 0.0 0.0 16.3034 0.0 0.0 0.0 16.3034" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.87079346 stress="-0.006960345223631915 0.005392241147350038 -0.0006807949484716386 0.005392241147350038 -0.005509661316610819 0.0010109628420312548 -0.0006807949484716386 0.0010109628420312548 -0.0023520852514489522" free_energy=-213.87079346 pbc="T T T" config_type=density 
Li       3.83976046       6.52980516       3.15811531       0.10260753      -0.24973865      -0.09624915
Li       9.40344245       6.86257386       5.81940081      -0.25193715      -1.26331348       0.42167902
Li       9.61753869       1.23915785       9.66132963      -0.38233716       0.45263745      -0.47644156
Li       8.89800444       7.33864944      10.88768768      -0.21418395       0.97450086      -0.13325565
Li      11.62585672      16.03080715      12.48657842      -0.45648135      -0.03372114      -0.43872095
Li       9.95454628       9.26903722       0.16772123      -0.22824413       0.43264192       0.14099974
Li       9.69688734      10.31543834       6.21568755       0.03210265      -0.22761221       0.39644798
Li       5.23471198       9.28002571       8.82723138       1.14651367       0.28579764       0.01988453
Li       6.27535800      12.59511015       5.67666454       0.31642746      -0.61741267      -0.22311978
Li       8.24867262       3.81168601       6.85494387       0.45532805       0.87263111      -0.32370847
Li       6.74585782      14.08220848      10.89865987       1.04053617      -0.99861986       0.60277356
Li      14.33220482       1.90787278       2.66371471       0.24214858      -0.21773092      -0.06236653
Li      15.88379939       5.26373203       8.03690776      -2.12618030       1.08717986      -0.23207746
Li      12.58068164       7.82088771       7.00379391      -0.21268119       0.31849280      -0.05944713
Li      14.41642818       3.69148104      13.44829968       1.18271030      -1.87005107       0.08691183
Li      12.01915994       6.24868563      14.80426976       0.22938892      -0.16859085      -0.22458782
Li       0.00032607       0.68433358      11.62417747      -0.03241115      -0.24355121      -0.05702651
Li      15.21549042      12.40261591       2.25707530      -0.34572918       0.32104799      -0.29926989
Li      13.39567231      14.17658886      15.36319923      -0.02081487      -0.23370887       0.20998941
Li       9.21970313      10.91023528      11.54663850      -0.58511755       0.80299462      -0.41855209
Li       6.79788197       4.46894128       2.36948725       2.18463847      -0.36204673       0.22779954
Li       7.89312808      12.36924285       1.95264191       0.33684530      -0.10737133       0.00455260
Li       2.76552944       5.95167029       8.45117715       1.00475640       1.39119811       0.23336025
Li      10.52353494       3.07705481       2.14391340       0.32666288      -0.15488682      -0.07669318
Li       3.92691844      15.95646365       9.07455396      -1.31446991       0.48622152      -0.58665755
Li       4.61350353       9.72137505       5.25830300       0.23954856       0.53582851       0.42659399
Li       0.33578972      15.10048624       8.11384351      -0.11676058      -0.08581826      -0.57868828
Li       1.89396598       0.94663573       2.32781576      -1.26255412       0.09995626      -0.06468150
Li       4.77492349      14.91462748       2.96880023       0.22865427      -0.15601794      -0.15292134
Li       1.74009449       9.82781995       3.64799987      -0.46137216       1.08991866       0.03520511
Li       0.48595218      12.64596046       5.34301546       0.98956179      -1.56099963      -0.77567227
Li       2.18498167       2.50844112       7.93747332      -0.84639128       2.06210192       0.53424433
Cl      12.39907807       2.57967068       2.88480511       0.10455866       0.16420647       0.22784221
Cl      15.94128518       0.72757509       1.95797313       0.69998537      -0.02757956       0.07124579
Cl       3.42580084       8.11084368       8.62303129      -0.62016898      -0.76645883      -0.20130531
Cl      13.98859436       6.68504614       7.62819783       2.40766021      -1.63390386       0.78981867
Cl       8.07512293       4.89604145       4.98103107      -0.63967138       1.01261734      -0.17123630
Cl      13.34620779       5.28737196      13.33011634      -1.04502347       1.56012627      -0.04790107
Cl      15.58551239       1.78556467      13.22911677      -0.15740170       0.59291577       0.30684216
Cl       1.39891650       4.42627528       8.17625292       0.31242993      -0.43460578       0.08161203
Cl      13.93383124      13.51421433       0.97703831       0.06554358      -0.22493944       0.37530774
Cl      16.01729163      14.27796340       6.00763987      -0.59986078       1.68075641       1.10516990
Cl       5.01890387       4.96811878       2.54194461      -3.00751532       0.46729088       0.01931153
Cl       2.83315594       0.83739479       7.59642250       1.24744731      -2.87218472      -1.23954860
Cl       3.01350415       8.37062206       3.67543850       1.14189536      -0.87843019       0.47358470
Cl       4.12339071      11.86863065       4.78336865      -1.02255255      -0.02626059      -0.21165425
Cl       9.43715788       9.07510827      12.44166255       0.46320758      -1.03000947       0.37361757
Cl       8.49307689       2.20640434       8.10427341      -0.28505514      -1.02858538       0.67555409
Cl       9.94277522       5.28072017       7.53994752       0.26309400       0.62097197       0.37802450
Cl       0.96529660      16.00796609       9.96538804       0.04653767      -0.15725261       0.22506176
Cl      10.62636048       7.70232939      15.30965886       0.05275306      -0.41347393       0.08542694
Cl      10.75872778      16.04766976      10.50105255       0.44959180      -0.34272962       0.34597406
Cl       9.32704471      11.13391793       1.02618165       0.24061657      -0.12094829      -0.10556979
Cl       6.41142617      13.28309733       3.07640267      -0.56904621       0.87171393       0.26438398
Cl       7.54361579       8.95191978       9.79896293      -0.37336370      -0.37064710      -0.24014606
Cl       3.83473902       0.44459372       2.06118995       0.95846695      -0.43777167       0.09996879
Cl       0.37327286      11.35478009       3.40833989      -0.36050578       0.39613342       0.31617334
Cl       8.72207445      11.92706203       5.54597649      -0.54003049       1.01256902      -0.53624723
Cl       5.97711990      10.70927957       7.12394997      -0.37398392      -0.55258992       0.05934568
Cl       5.48645277      15.29625747      10.02165107       0.16746643       0.47084632       0.07355799
Cl      10.83625045       8.51966774       6.43770725      -1.21259084       0.65005034      -0.66354832
Cl       8.60757567       3.61860484       2.31172430       0.31935797      -0.62731641      -0.98652829
Cl       8.48107759      13.16427815      11.67706570       0.37479844      -0.49563691       0.16252557
Cl      13.12025897      15.50293567      13.82065303       0.29059438       0.27916854      -0.16696854
64
Lattice="16.3207 0.0 0.0 0.0 16.3207 0.0 0.0 0.0 16.3207" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.28038158 stress="-0.006818059687168293 0.004691174676014846 -0.001544839837173587 0.004691174676014846 -0.0058918757067410584 0.0017239901732062522 -0.001544839837173587 0.0017239901732062522 -0.004353445075560549" free_energy=-213.28038158 pbc="T T T" config_type=density 
Li       4.04213145       6.90672439       3.04273338      -0.54611707       0.52599058      -0.22223854
Li      14.47848467       3.54043313      13.53039888      -0.04197283      -0.04624683       0.02421173
Li       7.10603278       4.62223441       2.55283493       0.25152470      -0.12210785       0.45332255
Li       9.44219410       6.52971622       5.31299172      -0.54514372      -0.44606482       0.63074814
Li       8.09457758       3.97668544       6.92193528       0.82669860       0.24622183       0.54228869
Li      12.64034951       7.55865475       6.45119733      -0.16492706      -0.18832624       0.38491774
Li       9.61599323       1.24181105       9.33083796       0.22049145      -0.32904416       0.22103645
Li      15.97491333       5.70867077       7.56408955       1.05072722      -1.44921115       0.39306009
Li      14.55576318       2.33882159       2.92925556       2.00150393       0.22250022       0.16899309
Li       8.53619940       7.31591698      11.08335473       0.68920362       0.60936351      -0.04248937
Li      11.65322461      15.67676678      12.36332195      -0.88107367       0.46182901      -0.63583764
Li       7.52428336      12.06403295       1.99871453      -0.17065610       0.14889643       0.22178318
Li       9.78465135       9.20482584       0.24912569      -0.22773426       0.42093623       0.16847469
Li       9.08397105      10.66786235      11.11815046      -0.45186684      -0.34994677      -0.29338672
Li       9.21406335      10.06189108       5.75900381      -0.63452935       0.67079381       0.18932127
Li       6.18105711      13.04139807       5.58380109       0.36919120      -0.43031092       0.01861357
Li       6.91155532      13.75544502      10.80746962       2.91125965      -2.58871344       0.55641058
Li       4.67620696      10.07566575       5.56406936      -0.03754847      -0.16640210       0.29686142
Li      10.66027322       3.04483875       2.50943819       0.17341341      -0.14969923       0.20092798
Li       5.44569533       8.95178971       8.78419244      -0.34784208       0.11470812      -0.39243120
Li      13.61676803      14.25993417      15.44964792      -0.02924806       1.01197845      -1.34662465
Li       1.86228979       1.06850644       2.35373871      -0.32374554       0.55648363       0.18997266
Li      16.13536213      12.59145269       5.23339566       0.04732547       0.88841006       1.39832374
Li       2.93002263       6.41902923       8.36576233       0.01672788      -0.30809898      -0.02595520
Li       0.31427140       0.92011047      11.61451191       0.28242863      -0.43410900      -0.52771372
Li      14.93587228      12.07240547       2.09298289      -1.69349041       0.80328569      -1.78117513
Li       2.85538807       2.79188422       8.59890353       0.10169838      -0.47196464      -0.22967908
Li       5.11006013      14.96928076       3.01234424       0.09268503      -0.10191167       0.08944320
Li       0.19754412      14.83990657       8.58666300       0.57111127       0.56678972       1.17186235
Li      12.07751385       6.60645615      14.81364656       0.63076055      -0.27521742      -0.60178803
Li       3.93568784      15.23344761       9.85404696      -3.00642484       0.94266073      -1.33711257
Li       1.29104897       9.93933894       3.29498612       1.05919270      -0.83643934       0.22008993
Cl      14.89681685       7.23958507       7.11768576      -1.46527130       1.54832260      -0.67205066
Cl      13.60726938      13.13529106       0.69780948       0.26209005      -1.26592112       1.88996889
Cl      15.65512553       1.73697946      13.21415268      -0.28324643       0.29288002       0.53039381
Cl      13.38700521       5.14617784      14.43357010       0.84488303      -0.83628684      -0.19580947
Cl      16.21275489      11.52344240       3.44308015       0.96605039      -0.60547087       0.78067458
Cl      12.60124511       2.28657903       2.75371011      -0.90455624      -0.26421619      -0.06072047
Cl      10.38234802       9.20348754      11.68607818       0.15975260      -1.35044952       0.28983061
Cl      15.72936840      14.03916406       7.02098561      -0.73934004      -1.21206656      -2.08237255
Cl       9.01929212      12.68975227      10.83740178      -0.62704739       1.20029332      -0.05397148
Cl      10.58965355       8.46438832       5.90592275       0.71024866      -0.09153542      -0.41941994
Cl      10.13885950       0.60932028      11.26253969       0.41256945      -0.26604086       0.61555150
Cl       6.03878957      10.38716263       7.26657951      -0.02241283      -0.05496618       0.15666981
Cl       5.30861777       5.43410763       3.04860884      -0.11084210      -0.77944489      -0.26197685
Cl       0.60424780       2.73593687       3.09081417      -0.61786815      -0.27797369      -0.13778505
Cl       1.55712535       4.68185393       8.28969155       0.02184007      -0.25527164       0.13137153
Cl       3.75983230       0.79394004       8.35143276       0.04860001       0.30527693      -0.06204740
Cl       3.48721133      16.09454406       2.37598383      -0.15054442      -0.02870768      -0.26220537
Cl       2.89731595       8.39731024       3.88995724      -0.76662355       1.09289785       0.24275675
Cl       4.33668744      12.12264058       4.92423264      -1.52809157      -0.01503681      -0.01110820
Cl       1.20643267      16.03727472      10.00041100       0.07729013       0.07485398       0.65533858
Cl       5.68529952      15.07804190      10.44764714       0.58704163       1.86200016       0.54359444
Cl       3.35938761       8.38023879       7.99412367      -0.08648413       0.37033139       0.00203122
Cl       8.61352688       2.38383408       8.00688646      -0.25106019      -0.91389149       0.16037237
Cl       9.94904976       5.53970256       7.22053881       1.04498785      -0.08243924       0.35370711
Cl       7.34428236       5.22086136       5.62533727      -1.06327359       1.32582127      -2.00053410
Cl      10.67827495       7.71404414      15.51530610      -1.14755466       0.52427970       0.43360706
Cl       8.88750247      10.86111576       1.19287996       0.72391902      -0.57590735      -0.37401885
Cl       6.40471598      13.31521045       3.12495707       0.00594694       1.09896874      -0.16996153
Cl       7.21090960       8.43550068       9.83083893       0.27637040      -0.25022978       0.59905945
Cl       8.08605817      11.90808866       5.47761862       0.90357236       0.08140427      -0.25114020
Cl       8.90274600       3.84879644       1.86517856      -0.04622247       0.12065046      -0.54532613
Cl      13.00219575      14.61867948      13.46968588       0.57165309      -0.26915802       0.07128933
64
Lattice="16.3648 0.0 0.0 0.0 16.3648 0.0 0.0 0.0 16.3648" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.1350449 stress="-0.005854461916512319 0.004174952407344478 -0.0016443159548068724 0.004174952407344478 -0.00539411362505384 0.001151600020900767 -0.0016443159548068724 0.001151600020900767 -0.004998857164699429" free_energy=-214.1350449 pbc="T T T" config_type=density 
Li       4.03546149       7.48543953       2.25852241      -0.21959942       0.64267330       0.12836601
Li       7.84971998       4.19300542       6.79477951       0.09106628      -0.61215368       0.45797271
Li       8.96034986       1.36817747       9.42988870      -0.49674763       0.24815816      -0.53736141
Li      14.03065585       3.11443418      13.24745288       0.14833544      -0.58499732      -0.33295837
Li       9.79943862       6.75730412       6.25269551      -0.26649884       0.50543953      -0.48917284
Li      13.14530380       7.87474176       6.87963100      -0.35686787      -0.02560915       0.29957093
Li       0.09933434       5.63129133       7.31565473      -0.10683779      -0.25660817       0.00203725
Li       8.66792725       7.22965771      11.34568311       0.06456718       0.30668554      -0.28558371
Li       7.86624843      12.04940224       1.85738844      -0.59722651       0.37930119       0.29509998
Li      11.25659314      15.69351590      11.94689313      -0.15477542      -0.23169733      -0.05783304
Li      10.16553556       9.25349252      16.23483943      -0.21506251       0.42009645       0.19463645
Li      14.46234291       1.97559139       2.86423276      -0.18130844      -0.00356010       0.00038942
Li       7.10572708      12.41309356       4.95138298      -1.76743713       0.05265596       0.25491052
Li      10.40804553      10.73056301       5.87116657       0.68708556      -0.89741664       0.48726714
Li       7.02293756      13.54944890      10.78549964      -0.60742124       0.06314253      -0.22231647
Li       6.23052121       9.09477033       8.52448978       0.16586339       0.31484135       0.51951804
Li       9.50716329      10.33849513      10.89573293      -0.96201227       1.02608350      -0.47343232
Li      12.36467011       6.33239209      14.56727400      -0.84714817       1.19143729       0.21220562
Li       6.93281660       4.89538264       2.01619245      -1.21115309       0.49973156       0.48271974
Li       0.06087706      12.78637464       5.31672714       0.29196169       0.60581366       1.84824469
Li       3.74141876      15.83939173      11.19278678      -0.38831832       0.34211970      -0.51223340
Li       3.77527754      11.20427487       7.74503436       0.06717303      -0.90103201       1.82068336
Li       1.75815229       0.61283558       3.01496893      -0.34719403       0.24991976       0.20588199
Li      15.99989769      16.31827291      11.93486500      -0.43688308       0.41122183       0.21323512
Li      14.95916187      12.97584630       1.80940684      -0.03228587      -0.05414956      -0.08620365
Li       0.56882736      14.03559802       9.20588732      -0.03563203      -0.51372263      -1.12485583
Li      13.03993085      13.93066692      14.80189614      -0.46671733       0.27322447      -0.24187743
Li       1.45240218      10.53709834       2.90501384      -0.12316828       0.28402843       0.23999307
Li      10.48258719       3.41574288       2.43792972       0.49028789      -0.21117755       0.22161247
Li       4.86014922      14.57490000       2.83971828       0.52793128      -0.53610780       0.21188968
Li       3.07651694       6.28637427       7.69517081       0.84104817       0.51551379       0.05258153
Li       1.80763944       2.84539687       8.98438975      -0.32597731      -0.47328582       0.57608673
Cl      11.37432151       8.75256600       6.32062580      -0.81909177       0.26138038      -0.32073711
Cl      12.52892361       2.64242426       2.56956817      -0.48973072       0.07844343      -0.03455560
Cl      14.34994946       1.21405869      12.49935242       0.24180389      -0.22941199      -0.23874361
Cl       0.16282976       1.91559803       2.94062364       0.07839179       0.29870064       0.08158376
Cl      16.30137004      12.17768591       3.46531186      -0.16493906      -0.60151520      -1.88639966
Cl      15.01971163       7.12849052       6.94034441       1.01092427      -0.23694806      -0.02364109
Cl      13.93425081      12.96494734      16.29469892       0.65085543      -0.65924058       1.17434293
Cl      13.49348129       4.82090643      14.10662125       0.80701031      -0.24278708       0.13400431
Cl      16.25158831      13.57206506       7.28351427      -0.21081965      -0.14371398      -0.39853715
Cl      10.31597716       8.63488672      11.51096759       2.32608849      -1.49203209       1.17789206
Cl       9.37986151      10.87177487       1.18904018       0.69489096      -0.47493876      -0.34497123
Cl       8.72998257      12.39281757      10.63847828       0.89544705       0.05947800       0.09234540
Cl       4.87332289       5.66207352       1.90859389       0.20761563      -0.70758587      -0.15584922
Cl       1.95030777       4.44718349       7.83001676      -0.33153945       1.31425524      -1.07631950
Cl       2.48201649       1.15348275       9.72201675       0.55643849      -1.17860094       0.76254104
Cl       2.83171590       9.31206214       2.00581717       0.22506571      -0.23997160      -0.21630235
Cl       4.43199696      11.93610873       6.11330015       0.24329691       1.11441601      -2.92846053
Cl       3.46837208      16.00220513       2.65409236       0.15125357       0.17960348      -0.33373864
Cl       5.75887131      11.31115338       8.81452313      -0.13206739       0.00658489       0.58987974
Cl       4.39301601       8.01034049       7.73765383      -0.48327126      -0.17984736      -0.10252660
Cl       5.81637722      15.37047475      11.23651353       0.05130066      -0.05457847       0.14342071
Cl       0.76092229      14.88928417      10.94525282       0.74069130      -0.00047308       1.49874334
Cl       7.61460690       2.05419152       7.86791764      -0.11180426       0.20595533      -0.24061769
Cl       9.56396551       5.28113370       7.62869699       1.60940190      -0.85128073       2.31073004
Cl      10.21661010       0.76622612      10.96418689      -0.04443971       0.48090841       0.07315523
Cl       7.82487821       5.91106395       5.54171041      -1.25376880       0.89564241      -2.02322360
Cl      10.78851076       7.46305249      15.37666065      -0.18186580      -0.13939260       0.06286308
Cl       5.98046707      12.75938909       2.87444439       0.50379785      -0.30178207      -0.03629844
Cl       9.07325062      12.03043544       5.18121023       0.28732187       0.68391333      -0.46312469
Cl       7.66826708       8.96323007      10.42851789      -1.48200252      -0.38767434      -0.72084891
Cl       8.81046466       4.35563880       1.69316767       0.80459750      -0.16718842      -0.53341714
Cl      12.73773846      14.70768399      12.96787664       0.39009945      -0.32088856      -0.38426282
64
Lattice="16.375 0.0 0.0 0.0 16.375 0.0 0.0 0.0 16.375" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.01282774 stress="-0.0044507096517482775 0.0036304286833842682 -0.0021916408805457963 0.0036304286833842682 -0.004522762962538918 7.647257387816703e-05 -0.0021916408805457963 7.647257387816703e-05 -0.003859395761818372" free_energy=-214.01282774 pbc="T T T" config_type=density 
Li       4.03355550       7.72477525       2.02758525       1.05678723      -0.87788609      -0.20045136
Li      15.93465987      16.14083750      11.85738312       0.38763556      -0.22865918      -0.19088636
Li       8.75134038       7.35147437      11.34834988       1.23188295      -0.20972353       0.42398833
Li      14.21872362       2.02157563       2.66892850       1.44036376      -0.08228945       0.04357126
Li      13.34703325       7.89194763       6.61274900       0.75011049      -0.39410206       0.06296675
Li       9.90025950       6.83893687       6.26075200      -0.61509022      -0.63736785       0.45570556
Li       7.11226837      12.57637662       4.97295650       0.13590772       0.04560770       0.10393384
Li       8.86724262       1.31011462       9.28370800      -0.31452858       0.37099164      -0.82477145
Li      13.86695587       2.77423612      13.24578663      -0.09091856      -0.32531976       0.08229278
Li       7.67203138       4.28469887       6.66231613       0.42972944      -1.01555029       0.85172180
Li       7.05358038       5.22552450       2.26569413       0.00354202       0.06276001       0.24024949
Li       9.25652550      10.65621137      10.96517488      -0.45537401      -0.19226857      -0.10180862
Li      10.57422175       3.30396738       2.46840025      -0.74481509       0.45877808       0.00315786
Li      12.21344113       6.32497475      14.51421050       0.82743196      -1.08041278      -0.56607053
Li       3.88539450      16.02107075      10.75755625      -0.86504613       0.33586248      -0.25689259
Li      10.27452650       9.38403762      16.13600687      -0.34353212       0.55578400       0.24679917
Li       3.73587437      11.10252838       8.25170637       0.88940426       0.11715763      -0.50080950
Li       0.40268745      14.02713613       9.15681812       0.84606132       1.74614058       2.55872114
Li       1.68213825       0.59598777       2.70750800      -0.19777875       0.23468687       0.01724981
Li       6.24138038       8.57257450       8.49513712       0.62542959       0.56649554       0.39007005
Li      11.01688713      15.95638950      11.86584900       0.85124562      -0.80397786       0.48187786
Li      13.15832775      14.13293500      14.96684825      -0.36793351       0.20569732      -0.55272126
Li       3.32006400       6.11912462       7.99887638       0.81384755       0.71329925       0.00058876
Li       6.58792450      13.52535700      11.04585450      -1.00143802       0.39789935       0.05940553
Li       7.66697150      11.84880262       1.54925840      -1.26846608       1.24325121       0.80478942
Li       2.30322563       2.57154637       8.85879313       0.28440931       0.30504161      -0.44462358
Li      10.70818563      10.66642937       5.93764050      -0.51769378       0.64940936      -0.16483249
Li       5.01502387      14.49572312       3.21513300      -0.49636644       0.15160956       0.16770988
Li       1.35758248      10.63184537       2.57703200      -0.09915078       0.32968614       0.18548443
Li       0.34711725      12.52233913       5.56971062       0.51602669       0.29075832       1.16699161
Li      15.17428675      12.93466163       1.84076288       0.62538187      -0.23815301       1.39177894
Li       0.10604516       5.85335838       7.39665300       1.48940458      -1.73809062       1.42321978
Cl      10.36377025       9.01004900      11.79014738       0.43680031      -0.46748211       0.25249779
Cl       5.46626975      15.26868863      11.86805963       0.27436784      -0.20068966       0.15074925
Cl      13.66297250       4.70977750      13.74294800      -0.36282385       1.29407502       0.49788243
Cl      15.42336687       7.00258862       6.34288900      -1.60679606       1.63804766      -1.31616039
Cl      14.37589087       1.16251856      12.10156712      -0.00125016      -0.29502569      -0.43483014
Cl       0.09186375      12.24050900       3.53400338      -0.15229590      -0.21096881      -0.96999916
Cl      16.30165638      13.11460650       7.65839100      -1.03025571      -1.98387892      -3.25704503
Cl      11.47645150       8.82296463       6.68910562      -0.44063716      -0.32796034      -0.00206243
Cl      12.41444425      14.84207075      13.07363625       0.12302914      -0.29084371       0.25243149
Cl      12.26240238       2.18339338       2.60721113      -0.66619467      -0.46214367      -0.03817093
Cl       5.90295825      10.86481250       8.98586312      -0.65262104       0.52978309      -0.41739779
Cl       9.65748375       0.74406363      11.04217013      -0.48145629       0.54819751       0.46018145
Cl       7.44995363       8.49996775      10.39673313      -0.93002219       0.22942472      -0.58021605
Cl       5.10051775       6.00711962       2.51235075      -0.14824624      -0.29403033      -0.00750288
Cl       0.01062033       1.91476150       2.79169188      -0.15366435       0.09734821       0.04524583
Cl       1.99345975       4.52074450       8.10986612      -0.86737192       0.29751494      -0.37605072
Cl       1.95697625       1.05489060      10.08112138       0.24477017      -0.90490069       0.71911522
Cl       4.20812938       8.06845375       8.29893187      -1.16915003      -0.44028367      -0.29585328
Cl       2.59023025       9.01689375       2.23017675      -1.07582884       0.89493449       0.02788114
Cl       3.36085413      15.76571900       2.57559100       0.37511271      -0.38290452      -0.05185901
Cl       3.87825500      12.58834675       6.13016138      -0.11400614      -0.23962696      -0.02564945
Cl       0.89486264      14.52415012      11.11852675       0.10283378      -0.17533960       0.72560333
Cl       9.07816900       4.81490500       2.66920687       0.51829755      -0.12415730      -0.33668289
Cl       7.68373950       1.99422937       7.68396875      -0.54751995       0.24269427      -0.53254066
Cl       9.45124063       5.09612925       7.80023125       1.17043777       0.16263155       0.96447883
Cl       7.86848225       5.97893825       5.53578163      -0.82995207       1.63592762      -1.56354453
Cl      11.17916337       7.92052200      15.13064737       0.01396454      -0.07215906      -0.02954144
Cl       8.95692850      10.71136238       0.73781984       1.18534724      -1.04758655      -0.67213256
Cl       6.86348300      13.55609287       2.66663600       0.10482086      -0.22397447       0.44833215
Cl       9.38827875      12.31216600       5.22242963      -0.12891490      -0.27865927      -0.00125889
Cl       8.34329175      12.63160950      10.76818363       1.38469302      -0.26345870      -0.04962434
Cl      14.31587650      13.38042187       0.16768000      -0.40193733       0.15837937      -0.94468264
64
Lattice="16.4223 0.0 0.0 0.0 16.4223 0.0 0.0 0.0 16.4223" Properties=species:S:1:pos:R:3:forces:R:3 energy=-214.0801636 stress="-0.00573726410101415 0.004576965164014457 -0.0004916912840774365 0.004576965164014457 -0.00571005339313462 -0.0006902977397384327 -0.0004916912840774365 -0.0006902977397384327 -0.0038015285524256232" free_energy=-214.0801636 pbc="T T T" config_type=density 
Li       9.74206965       6.64502094       6.55854111      -0.16746386      -0.04369787       0.68349388
Li      10.32650646      10.15814504       5.16400866       0.74753996      -1.37033095       0.30043021
Li      11.18368483       3.73030902       2.61070230      -1.73785493       0.59557779       0.06680830
Li      13.49031182       7.88518377       6.46986069       0.05059829      -0.07444041       0.24353139
Li       7.49886558       5.26106445       2.45876318       1.01035801      -1.16764833       0.66663494
Li      14.80984363       2.54576852       3.20784997       0.57578077       0.08329100      -0.14047672
Li       8.64507643       3.17259129       6.89991146       0.79535746       2.39382373      -0.59935602
Li       8.95192711       0.66236227       9.34514266      -0.28187554       0.64596463      -0.56589805
Li      12.45339138      14.33019751      15.62182783      -1.63317741       1.45554188      -2.62868608
Li       9.11682342       7.87129050      11.34974713       0.27355669      -0.03918341      -0.26900876
Li       9.43587587      11.43338591      11.66075265       0.66061847      -1.34914167      -0.83392536
Li       6.57417514      13.92394266      12.43215735      -0.07702143       0.04083885      -0.17348964
Li       7.72976312      12.35948867       1.45118446       0.11535436      -0.15142583      -0.25159840
Li      10.58694772      16.02046274      12.60051877      -0.08361174      -0.05822065      -0.23483273
Li       9.42914272       9.14122696      16.20325936      -0.36010125       0.30277258       0.14717566
Li       8.02208006      13.14688869       4.33597987      -0.82876004       0.91203925       0.07726086
Li      13.71725159       3.23451979      13.14473737      -0.17911590       0.61734271       0.67044711
Li       3.68803802      16.02261406      10.74090678      -0.80943750       0.30790802      -0.90145060
Li       0.35503042      14.43728733       8.42293198       0.16454257       1.39279571       1.49914523
Li       5.78404902       8.11348658       9.81945153       0.27116065       0.25316581       0.06036659
Li      12.17554249       6.46895746      14.82170053      -0.12246604       0.29491876       0.09337330
Li       1.81957442       0.69410165       3.17273909       0.84061779      -0.58161296      -0.15435418
Li      15.01561505       0.31294828      10.94006001       0.85356803      -1.25038468      -0.56878573
Li       0.27883095      12.40059369       4.85983482       0.73881225      -0.38045341       0.60115223
Li       1.67609278      10.32445368       2.92336647       0.07635325      -0.04834448      -0.12363481
Li       4.75258078       7.95363191       2.30153608       0.35288311      -0.18859740      -0.00026882
Li      14.93946484      12.78162389       1.67333384       0.23129146      -0.15709284       0.03619405
Li       5.20176352      14.83776154       3.17571153      -0.78298589       0.28081189       0.27774207
Li       3.91639010      10.37401618       6.81119819      -0.64083235      -0.55123656      -0.47658172
Li       3.38171286       6.24948984       8.01638152      -0.36873510      -0.55571961      -0.26687525
Li       0.09261980       5.51585643       7.03493561       0.35022632      -0.71662112      -0.19524620
Li       2.54264829       2.26156420       8.20034413      -0.08251849       0.54477465      -0.37471210
Cl      10.36125605       9.55575866      10.75465225       0.48775380       0.32146554       0.10967771
Cl      16.35782605      15.06241860      10.49831657      -0.44865470      -0.02821516       0.34401901
Cl      13.49201974       5.11572710      14.12434398       0.67146186      -0.49091314      -0.18380676
Cl      13.32579322      13.55563973       0.60479225       1.32527144      -1.34829499       2.50634467
Cl       9.68293295      15.80485436      10.67855131       0.36793326      -0.76234210       0.66979639
Cl      12.92024452       2.88784503       3.09318947      -0.64163461      -0.16211193       0.12481560
Cl      14.02516971       1.81372808      11.77189878      -0.58590685       0.22811319      -0.25487665
Cl      15.49982656       7.20456154       7.40225319      -0.92489399       0.89354702      -0.08060776
Cl      11.27418813       8.42409796       6.05133837       0.35325209      -0.20641311       0.10070537
Cl       8.35469732      12.85350430      12.54156271      -0.13696718       0.68568415       0.86972899
Cl       0.21082949       1.82831108       3.52181150       0.38062654       0.22369120       0.43439717
Cl       7.02649454      14.12564135       2.58774392       0.88024500      -0.33272512      -0.27281819
Cl       2.04988075       4.51432605       7.26263080       0.40228791      -0.34221998       0.29617219
Cl       2.18797587       0.38092510       9.01241044       0.53862392      -0.03277546       0.23301412
Cl       4.19103665       8.13995933       8.21983740       0.30551424       0.46164277       0.05037584
Cl       2.91160810       8.79190822       2.36563232      -0.00015196      -0.67162438      -0.80707789
Cl       3.35875449      15.69714050       3.64353359      -0.22863055       0.04997319       0.04464811
Cl       0.08390202      11.66829048       2.63778267      -0.90801032       0.78134801      -0.20172731
Cl       2.15089432      10.54989901       4.91230407       0.16752284       0.38751521       1.43500444
Cl       0.42046015      13.08581415       7.07267405      -0.30909775      -1.39676019      -2.03239558
Cl       9.42032395      11.82829295       4.77571980       0.04149643       0.71861801      -0.07834836
Cl       4.09416150      12.16697005       7.69755899       0.48902226       0.72440706       0.38484076
Cl       8.89569715       3.74136123       2.74254052       0.36298028      -0.68635856      -0.72219781
Cl       6.37370812       6.68182331       1.79370930      -0.85109532       1.37288780      -0.75247903
Cl       9.83208028       4.87766943       5.47440655       0.53006593      -0.67982783      -0.64548910
Cl       8.06577980       1.42626197       7.60393546      -0.74781063      -1.35492610       0.15539486
Cl       8.64556910       5.40930855       8.26225620      -0.38271755       0.28564836       0.63491133
Cl      10.60509436       7.62896304      15.46141480      -0.21277013      -0.13389859      -0.08519443
Cl       7.20802665       8.78432111      11.38410258      -0.95143871      -0.12789943       0.06098667
Cl       9.18039415      10.82135963       1.09293855      -0.09835709       0.18992497       0.11979949
Cl       4.70507106      14.75433626      11.96973822       0.02272141      -0.13756330       0.51880784
Cl      11.50644872      15.89015179      14.46740583       0.14869615       0.13298785       0.35900368
64
Lattice="16.4264 0.0 0.0 0.0 16.4264 0.0 0.0 0.0 16.4264" Properties=species:S:1:pos:R:3:forces:R:3 energy=-213.41829522 stress="-0.007294844306343782 0.005290066750423525 -0.0007322653287839063 0.005290066750423525 -0.0049798999601030755 -0.0007996482992994128 -0.0007322653287839063 -0.0007996482992994128 -0.0045382322433149816" free_energy=-213.41829522 pbc="T T T" config_type=density 
Li      15.13806102       0.37979315      10.90244808       0.35780947      -0.48280045      -0.23552630
Li       5.79860133       8.07387128       9.77022560       0.08509539       0.34348527      -0.06782031
Li       9.67626660       6.68758167       6.52928046       0.40268407      -0.53667667      -0.29042047
Li       8.86603442       0.60899400       9.34373055      -0.18233571       0.33635430      -0.50097325
Li      14.85440995       2.44401835       3.20595691       0.04501973      -0.00952916      -0.16134415
Li       8.73961684       3.31143083       6.91375678       0.52256940       0.85211914      -0.32967658
Li       7.52922113       5.15352018       2.40834021       0.05686816      -0.00077757       0.04319965
Li      11.20479239       3.64414756       2.69912034      -2.20244775       0.84437561       0.09947243
Li      13.51628255       7.90377590       6.54160026      -1.58482645       0.47006932      -0.55853615
Li       7.82831302      12.26477156       1.45836536      -1.07483221       1.85232114       1.08952992
Li       9.48315784       9.17274816      16.38760084       0.69351321      -1.63287051      -0.63505991
Li       0.31453764      14.47436876       8.44261110       0.59449185      -0.84019090      -1.50491457
Li      13.64568973       3.25684590      13.06595279      -0.11185787      -0.36833510       0.04337988
Li       3.65213079      16.03863840      10.64539134       0.57570594      -0.73448109       0.60636539
Li      12.30197736      14.44511334      15.57718797       0.34962792      -0.36360959       0.53400005
Li       3.94353513      10.34838560       6.81252087      -0.52497964       0.06785994      -0.15408924
Li      12.30565687       6.35391221      14.81892892      -0.71861515       1.03033166       0.42961556
Li       1.86349295       0.69287541       3.16544941       0.67622587      -0.40932054      -0.32435678
Li       4.64392397       7.93076448       2.39237375      -0.07713801       0.40792105       0.27015430
Li      10.30138967      10.14080519       5.13282291       0.23355228      -0.38958049       0.21954973
Li       3.37496814       6.22240245       7.93538030      -0.08989296      -0.08464728      -0.22056464
Li      10.58891738      16.00079198      12.53795902       1.18782108      -0.22129778       1.87239349
Li       9.49045116      11.45578779      11.58631196      -0.18360292      -0.20230443      -0.20555840
Li       2.56752845       2.36431746       8.28874501       0.14090117      -0.08329254      -0.08432259
Li       5.23632566      14.94496869       3.25990121      -0.96738031       0.35137917       0.28789462
Li       7.97063135      13.17983702       4.27653111      -0.34335653       0.37196513       1.00798502
Li       1.72151957      10.25082921       2.85362706       0.29917705       0.37523828       1.15224192
Li       0.23762923      12.46290680       4.88397938       0.64864003      -0.60683574      -0.62357148
Li      15.07943520      12.58745176       1.75660636      -0.83229300       0.43620666      -0.56211017
Li       6.47876928      13.94177559      12.44843514       0.65771405      -0.43490877      -0.09962712
Li       0.08262824       5.46892348       7.05287196      -0.03233014      -0.03650589      -0.02655839
Li       9.00284990       7.99523810      11.46191483      -0.55916118       0.46909524      -0.24392411
Cl       8.31115062      12.80204625      12.70258440       0.04361593       0.32086772       0.41090661
Cl       0.27810881       1.81161838       3.57548521       0.19177290       0.42137890       0.54717159
Cl      15.23993755       7.26740074       7.26142153       1.42650679      -0.71404763       0.46857000
Cl      13.40275970       4.84145143      14.21322185       0.69942456       0.04818518       0.42251796
Cl      14.07956023       1.91884992      11.65372591      -0.32110378      -0.03806721      -0.53952328
Cl      13.40757263      13.53788327       0.94591424      -0.53318674       0.29030905      -0.41055624
Cl      11.30798304       8.44788398       5.84830762       0.35889707      -0.56618398       0.31144889
Cl      16.19074687      15.14307107      10.22183662      -0.37705360       0.05787239       1.25134141
Cl      12.96737797       2.97470606       3.02526651       0.82093556      -0.36987004       0.13346044
Cl       7.00548179       9.35628032      10.96876145       0.04412655      -0.65982416       0.34955614
Cl      10.17245886       4.62337454       5.51467101       0.66458157      -0.00998191      -0.63188620
Cl      10.21639948       9.61810071      10.76218305       0.98379713      -0.14931256      -0.10890145
Cl       2.04728794       4.13094392       7.23908163      -0.10907840       1.24879547      -0.09809592
Cl       2.47309308       0.58163254       9.30545704      -0.49736112       0.19318304      -0.44582792
Cl       2.78023391       8.61004540       2.33913579      -0.59423152      -0.60885794      -0.55182800
Cl       3.30676573      15.70754788       3.63568796       0.16215120      -0.28455592       0.10748808
Cl       0.24843287      11.69323140       2.51314064       0.22483197       0.21288472       0.47461805
Cl       2.29800408      10.84898014       5.19532537       0.05281034      -0.49622355      -0.74952268
Cl       0.56102398      12.89684301       6.84856039      -0.54017338       0.90358563       1.09574689
Cl       4.26151738      12.07261553       7.92733136       0.46656920       0.35745185       0.27805114
Cl       9.57243532      16.12660177      10.95870850      -0.87962023      -0.45301620      -1.05219771
Cl       4.17417821       8.24358884       8.27589957      -0.19003590      -0.52213568      -0.18692368
Cl       6.16643771       6.74571470       1.99817300       1.08364343      -0.61314187      -0.32138813
Cl       9.01030749       3.70710995       2.65636242      -0.09330639      -0.44292906      -0.57930677
Cl       8.07318137       1.41463335       7.64875604      -0.53744183      -0.10855200      -0.58096848
Cl       8.74572746       5.36709623       7.96517779      -1.03054356       0.46571487       1.48854621
Cl      10.66776410       7.54857143      15.49425108      -0.26473108       0.17282303       0.03828810
Cl       8.77414513      10.87481887       0.57996690       0.39235996      -0.04323764      -0.43491844
Cl       7.08004122      14.24968846       2.77786850       0.72403554      -0.27320572      -1.22641590
Cl       9.42610895      11.82318065       4.44362045       0.29475111       0.07411810      -0.39009946
Cl       4.68985218      14.88294260      12.17802374      -0.71576844       0.52934161       0.00709958
Cl      11.32289821      15.96948326      14.53214040       0.00645829       0.28587409       0.09672189
1
Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.06062883 stress="9.158337981909467e-05 0.0 0.0 0.0 9.158337981909467e-05 -0.0 0.0 -0.0 9.158337981909467e-05" free_energy=-0.08883831 pbc="T T T"
Li       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000
1
Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-0.07200602000000002 stress="-2.1529461578821713e-07 -0.0 -0.0 -0.0 -2.1529461578821713e-07 0.0 -0.0 0.0 -2.1529461578821713e-07" free_energy=-0.12500741 pbc="T T T"
Cl       0.00000000       0.00000000       0.00000000       0.00000000       0.00000000      -0.00000000
