64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.79470818 stress="-0.02226752414611192 0.005223333708253297 -0.0028588270360061416 0.005223333708253297 -0.023940871931365036 0.00036938413800127273 -0.0028588270360061416 0.00036938413800127273 -0.01820485059595747" free_energy=-221.79470818 pbc="T T T"
Li       1.95944999       8.32631002       3.29561000       0.14014198      -0.04929204      -0.13905895
Li       6.46481003       0.10979295       2.41077004       0.83530255      -0.41720988      -0.15313844
Li      10.31539999      11.32010003       8.69778995      -0.11845165      -0.02497239       0.96824303
Li       6.03420995       1.78786996       5.11418004      -0.16272915       0.36315117       0.14380297
Li       4.18351001       6.34585001       1.03285998      -0.26270764      -0.84593186      -1.38852699
Li       2.05503996      10.08030005       7.54033995      -0.88951548      -0.52991709       0.19889667
Li       7.09737003       4.52147997       2.08543005      -3.65283424      -1.25704806      -2.14930060
Li       8.67398002       1.36697003       0.35627096       0.65040372      -1.87567624       0.58682322
Li       6.91982995       8.21608005       2.59064998      -0.13269760       2.20494842       1.67480253
Li       6.39843999       9.43196004       5.75339998       1.85095643      -1.31670057       2.36850195
Li       6.41650999       2.81258996      10.35549997       0.87590767       1.16512394      -0.89213661
Li       3.04458996       0.25733503       3.88953996       1.44071874       1.35414016       0.88666262
Li       0.53142097       7.51943002       9.88723996      -0.92898561       0.31377370      -0.12089635
Li       9.97374002       3.32776994       3.99442998      -0.10519866      -0.54223639      -0.11486737
Li       8.15296001       5.74947002       7.06747004      -0.30258324      -0.35482864       0.31718250
Li       7.31488996       7.20280999      10.14099997       3.62587914      -3.24310145       1.98911409
Li       2.21386999       4.26143994       3.51485003      -0.55605867       0.32167970      -1.69847183
Li      10.57109998       7.08436002       2.83450003      -0.56474563      -1.11748582      -0.20348802
Li      10.33659996       8.92277003       5.96349002      -0.17262847       0.10961791       1.57872771
Li      11.01920005      11.43370004       3.00378996       0.17880864      -2.30685756       1.95784404
Li       1.68382004       2.73946000       6.22406004      -0.72368620      -0.90850334       0.22510657
Li       9.79912000       2.58967001       7.42651994      -0.62616232      -0.55983532       0.66191724
Li       0.38553698       0.75688897       0.49904000       0.94858174      -0.56092659      -1.26678107
Li       4.56374006       6.69532002       4.57658005      -0.11859791      -0.17143970       0.31910908
Li       4.43877000       3.82463998       7.79087001      -1.11059915       0.21415768      -0.12715780
Li       3.85642997       7.50489997       8.66355004      -0.02384533       0.34981061       0.03937062
Li       1.00313001       5.91616994       6.50222004       0.22626984      -0.51191336      -0.38250657
Li       1.93081004       2.25936003       9.90088005      -0.00587863       0.03411138       0.22487304
Li       3.98329003       1.78014005       0.85430405       1.16895309       0.14740607       0.64941496
Li       9.63860002       4.55432994      10.64169999       1.71795512       0.18742980      -0.01786328
Li       9.47695998       9.12783000       0.29560497       0.00881155       0.45050242      -0.41066205
Li       5.83132005      11.31390003       9.35644999      -0.30216770      -0.42168555       0.08797839
Cl       1.73734997      10.51930000       3.16947999      -0.91499518      -1.49243908      -1.41050758
Cl      11.24919999       2.58407006       9.31827004      -0.41860067      -0.44118362       0.58459365
Cl       3.19890994       3.63801996       5.10989996       1.17076359      -1.01160395       0.23091842
Cl       8.44558003       3.31302000       0.19176198      -1.41912904       0.83112085       0.83890475
Cl       0.17551996      10.57659997       7.11864005      -1.91745706       0.61558984      -0.43638735
Cl       2.02363998       2.17143003       0.83032296      -0.90167925       0.03709159      -0.98548374
Cl       4.15137002       4.16742998       1.51836995       0.70801431       0.64299714       0.20823817
Cl       7.96277999       1.94672005       4.11883003       0.38811223      -0.15211289       0.23918722
Cl       8.46761999      10.32339999       1.88753995      -0.62993356      -0.17931725       0.35017436
Cl      10.81409995       8.73527998       4.04097003      -0.34741544       0.99236470      -0.98120663
Cl       0.19298900       1.30437002       4.77122002       0.32542542       0.65355646       0.80362229
Cl       9.73018001       7.84482997       9.98399998       0.03513454      -0.05409369       0.36432951
Cl       3.96206001      10.02299997       7.69950004       2.36986448      -0.19838916       0.32629799
Cl       5.19776003      10.12019998       4.52673003      -1.43480317       0.58052808      -1.82769809
Cl       4.37088003       7.69636995       2.49096004      -0.83613592       1.13728245       2.11629927
Cl       6.14388998       8.36127000       9.51651002      -3.67856916       3.25433949      -1.84641943
Cl       3.58536005       1.86139004       8.40348996      -0.26085446       0.08834224       0.25187845
Cl       5.93624000       1.22672004       0.02518874      -1.94488628      -0.97434309       1.44291099
Cl       6.94746998       6.83083996       1.31194000       0.28337220      -1.75943594      -2.94691996
Cl       0.93673796       6.23509005       3.85804999       0.77690022      -0.91807421      -0.00533574
Cl      11.16959994       3.81050005       6.58791003       0.41343680       2.15647190      -1.19555189
Cl       7.95868999       0.38151404       9.96139001       1.66101563      -0.72722368      -2.34201346
Cl       6.37539002       3.61589997       7.31030000       1.67516227      -0.57432389      -0.52709403
Cl       1.01210998       7.60943998       7.79317995       0.03573330       0.15866874      -0.54168458
Cl      11.05380005      10.58910004      10.80920001       0.37934594      -0.06336203      -0.07466548
Cl       4.92838006       1.29290001       3.15447004      -1.19356019       1.04329084      -0.00896620
Cl       8.35088003       5.27461003       9.29362000      -1.14004599       0.10503728      -1.56591651
Cl       8.62497996       5.02872002       2.87751000       5.06147967       1.27554893       3.07675940
Cl       2.24666001       7.31979002      10.98150000       1.27771216      -0.34874414       0.67635915
Cl       3.72238995       5.78482002       6.92425000       0.17472581       1.47794640       0.48260563
Cl      10.82679997       1.52190003       1.95667002      -2.57990896       3.14484975      -0.81391848
Cl       7.79066996       7.55443999       5.86238997      -0.02684118       0.49932885      -0.29682540
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.64687044 stress="-0.02183035918507893 0.0001267097380928154 -0.002528705061229165 0.0001267097380928154 -0.01210246032695074 0.004468044007798319 -0.002528705061229165 0.004468044007798319 -0.014936093854653257" free_energy=-223.64687044 pbc="T T T"
Li       3.35214002       6.96997998       1.72687001      -0.35669211       0.41405664       0.22389623
Li       6.21214005       7.82473997       5.10584000      -1.57648184       0.35256915       0.97779110
Li       0.58765797       8.42954001       1.05319005      -3.21396780      -3.09663491       0.61472048
Li       2.72807999       1.95034001      10.06720004      -0.42373563      -0.05503696       0.25448976
Li       7.28859995       0.38858097       5.68014999       0.77035280       0.81060102       0.51728161
Li      10.63929995       0.81679900       8.13305997       0.14192361      -1.00418375       0.05095816
Li      10.62120003       5.07703004       1.32470995       3.50115933      -0.24027012       0.17783545
Li      11.34600002       0.05671987       1.64909003      -0.10585981       0.42929772      -1.41526006
Li       4.93103002       3.48282995       4.78125001       0.00862869      -0.42594539       0.30469057
Li       4.34904000       0.21991986       6.84765004       0.45906642       0.04354101       0.11092696
Li       5.51734999       3.44721995       0.94262395       0.05062681      -0.44513707      -1.41539284
Li       7.90125005       7.43621999       1.19046999       0.00330293       0.24693761       0.24244342
Li       8.47175000       3.28765001       6.52325998      -6.24814787       4.92129248      -4.66309956
Li       3.11253003       9.89185995      10.20539999      -1.26601683      -2.77238028       0.84978342
Li       6.35958995      11.45673694      10.54180003      -0.30232150      -1.55844406       0.01366835
Li       3.94231004      10.71340001       3.34556996       0.02827459       0.01689341       0.17370131
Li       8.79661996       1.96009004       2.79293995       1.85300678       0.07151272      -2.91982408
Li       2.85052996       7.29578003       7.33386001       0.22343560      -0.79945274      -1.19683015
Li       0.58305196       4.57167999       5.84888998       0.14731900       0.19933370       0.48059063
Li       1.88224001       5.09529000      10.33869999       0.25128697      -0.18554788      -1.44146478
Li       9.70890002       6.59104999       5.46274001      -1.48079870      -0.36705646      -1.20636826
Li       5.85697998       3.32370998       8.81237004      -0.72685563      -0.86061905      -0.16747378
Li       1.98102003       2.82044001       1.50882995       0.27634524       0.61924195       0.14036562
Li       9.53259005      10.32590001      10.69129997      -0.70555701       0.20575877      -0.57147830
Li       1.25171997       0.97894898       4.53707001      -2.23699139       0.37897683      -2.65479792
Li      11.42966771       8.51108005       9.38234000       0.21077500      -1.11773678       0.50526382
Li       6.12660001       6.72888995       9.07989005      -0.29688507       0.86893588      -0.06226829
Li       8.85758000       9.12637002       7.47494002       0.05878477       0.98246840      -0.94165907
Li       8.56315001       2.66577002      10.70460003       0.30025297       0.21614169      -0.02849723
Li       9.58787998       6.18125998       9.04919994      -0.26924153      -0.91876295      -0.19966687
Li       1.20847006       9.00296003       4.85871002       0.43849337       0.12444523      -0.24301089
Li       9.51587995      10.41980003       3.88284998       0.00038126      -0.38602065      -0.02360425
Cl       9.42071003      10.92659997       6.07486997      -0.16117599      -0.58201414      -0.65667194
Cl       8.68137998       5.54076005       6.91746005      -0.05077253       0.04061883       0.24645865
Cl       3.85359004       0.10240205       9.72518996       1.43318789       2.06820756      -1.19443506
Cl       2.54861001       0.87333304       5.83041002       1.78510652      -0.57674918       3.28814925
Cl      10.19510002       9.22001003       0.95130803      -0.85349419      -1.51543947      -0.06698789
Cl       2.12529995       9.26675999       0.90615905       5.20685215       2.48409730      -0.68152488
Cl       5.55241005       4.01102006       2.80370996      -0.17233015       1.26827399       1.32063172
Cl       3.34098998       8.08575996       4.15265998      -0.07711764       0.22658723      -0.31031953
Cl       0.36249297      10.43309997       3.25119004       0.24284902      -0.12176171       2.34869605
Cl       0.00521992       7.44180000       5.70208001       1.33166620       0.32678032       0.48258373
Cl       2.98636999       1.67114994       3.01181003       0.41351699      -0.37678126      -0.23100204
Cl       8.88293005       8.26508996       9.33247004       0.42128941      -0.99136287       1.06787942
Cl       7.74230996       2.10163997       4.29887002      -1.19762681       0.10528430       2.10867087
Cl       7.98323994      11.22660000       9.07885998       0.36054274       0.23972810      -0.34070681
Cl       6.40001002       9.26376002       0.55538200      -0.08186190      -0.28939171      -0.08959593
Cl       1.39041002       5.91624996       0.71115004       0.16903332       0.60352645       1.95006634
Cl       6.98571998       4.90981996       9.44015001       1.02257515      -0.17748879       1.07435686
Cl      11.11809999       3.82138997       3.92129005       0.18622756      -0.17726329      -0.24891416
Cl       0.86655604       1.48801002       0.32034902       0.15835998       0.18188699      -1.16290983
Cl       3.94289002       3.63139005      10.83640004      -0.99767113       0.59265721      -0.25320407
Cl       2.65161003       7.73261003       9.28654998      -0.39259735       1.10460431       1.83554060
Cl       2.06021998       5.08319003       7.84688001      -0.07751455      -0.69751260      -1.04176319
Cl       6.51249995       1.92537001      11.13410000       0.34451895       1.03106221       0.34665084
Cl       9.31512000       0.44681000       0.84548298      -0.86837001       1.87376830       0.69877794
Cl       5.81018004      10.51820001       5.19403001      -1.13489096      -0.93050688      -0.27635988
Cl       9.58492002       2.39983002       7.31645999       6.16449867      -4.17377732       4.56388764
Cl       5.14848002       6.94689000       7.16376002       0.23304826       0.32556049      -0.74452612
Cl      11.07109999       4.74217997       9.95188005      -0.67531719      -0.27853168       0.06460010
Cl       0.25807505      10.15470001       8.26095995       0.18682737       1.31655661      -0.15326796
Cl       8.78759000       5.15784003       1.16580001      -3.54161080       0.22397426      -0.30314014
Cl       5.80922002       2.27599997       6.65734001      -0.43457370       0.18689944       0.79908426
Cl       7.83716002       7.46667003       4.00888002       1.54296133       0.01973183      -0.92841539
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.40487924 stress="-0.013678087375321661 -0.0012817631547853878 0.0009449694436584804 -0.0012817631547853878 -0.02436934331903091 -0.0042902427926877415 0.0009449694436584804 -0.0042902427926877415 -0.019005760678741768" free_energy=-221.40487924 pbc="T T T"
Li       8.82052997       5.52676996       9.68609997      -1.30339603       1.02201982      -0.03784775
Li       2.26609002      11.41899997       8.11146001       0.31977850       0.12338533      -0.24180587
Li       6.93361999       7.96028995       6.44881003      -0.88083376       2.44656938       2.11624993
Li       8.17398000       8.30328997      10.90420002       0.20256781       0.05366427       0.79067939
Li      11.09019994       1.66208995       4.18178005      -0.07276570       1.77859541      -0.45741704
Li      11.26599998       2.90898002       8.11875003       1.03633267       1.50389730       1.03544919
Li       9.40119003       5.06675002       1.31783998       0.75636281      -0.06894885       0.74770843
Li       0.01300955       8.55626995      10.74580001       0.03974286       0.67858752      -0.17973408
Li      11.35040001       7.24040997       8.11128002       0.44231656      -0.22463804      -0.48828922
Li       2.10108005       6.98359003       1.50374004      -1.06665460      -0.11906381       0.36827237
Li       3.69335999       7.29149996       4.90181996      -0.54687184      -0.18894045      -1.02500549
Li       8.28739005       2.54707998      10.83779994       0.35405952       0.00615950       0.00600654
Li       4.92941998       9.42609996       0.85667395       0.43836644      -0.19536220       0.37633257
Li       0.91008098       4.30693995      11.31290000      -1.32553051      -0.43726085      -1.05486989
Li       9.33683002       4.78207005       5.87077999      -0.18592045       0.12911799      -0.07461923
Li       6.27972003       6.87149998       3.52340995       1.10087955       3.43250788      -0.06426802
Li       5.45285998       5.44163003       0.59678101       0.10372786       0.21979728       0.19938674
Li       7.67677005       0.35926795       6.36735998      -1.75269718       4.40695281       2.67096151
Li       1.02599999      10.02030002       3.05181005      -0.04685204      -0.39486529      -0.04129313
Li       2.92143000       5.91884995       8.38699997       1.10588944       0.30486369      -1.03314361
Li       6.33482000       3.46989996       8.47437005      -0.53832108      -0.61597211       0.54543894
Li       4.18439001      10.89290003       4.56569001      -0.61349832       3.30894426       0.99066652
Li       6.27630001      10.81959994       9.20498002       0.64946668      -1.03638456      -0.38001641
Li       1.13458002       4.90848001       4.63560000       0.44590673      -0.14162978      -0.59923551
Li       2.00969002      11.43529999      11.23469997      -0.16074854      -0.40196936      -0.60983826
Li       4.18132996       2.89131001       5.68582997       0.09952327      -0.74211617      -0.09928521
Li      10.11409995       7.52396999       4.68295000      -0.30448678       0.45933911      -0.96917698
Li       3.47125997       2.80000997       2.27634998       0.69607836      -0.63552914       0.72369929
Li       4.60992001       1.71550994      10.16920003      -0.16411353      -0.64443569      -0.39507455
Li       8.68358995      10.54040001       2.32663002       1.26391123       0.51113240       1.57335716
Li       7.03283003       3.36481997       3.55574999       0.28834101       0.36188244       0.18537108
Li       9.87688004       0.10793700       8.59735999       0.12821305      -4.28257176       1.37882528
Cl      11.34670003      11.20479998       4.54645995      -0.27677321      -1.87684880       0.04243524
Cl       9.78034002       3.83581995       9.45246998       0.60458872      -1.06407829      -0.01708396
Cl       3.56241005       7.55729998       6.91469005       0.07289569       1.03918933       1.96531063
Cl      10.37060004       1.34324001       7.44405995       0.68761216       1.96850426      -4.97879817
Cl       5.32201998       3.70673995      10.42399996      -0.30157734       1.61981156       0.95066579
Cl       0.77087195      10.21169996       9.14585001      -0.44212139      -0.58432736      -0.09758187
Cl       7.56857006       4.10342995       7.04325003       0.38318623       0.06789405      -0.98861623
Cl       9.64362000       7.83721998       2.38823000       0.22226040      -0.07239856       0.36072023
Cl       7.56450998       6.65353994       5.26156001       1.71241773      -1.39022487      -1.45330390
Cl       6.37553000       1.42347999       3.10318997      -0.31000813      -0.19420999      -0.09050224
Cl       1.41487995       9.10280004       0.73400099       0.48331260       1.23324760       0.23347806
Cl       2.24267996       1.73646997       9.51732995       0.08008734       0.26819729       0.33365701
Cl       8.19232996      10.42130001       5.45584998       1.26430963      -4.46713598      -2.51880695
Cl      10.42729996       3.05411001       1.10391995      -0.43769282      -0.13371210      -0.69339794
Cl       7.88773000       6.12286002       0.26376397      -1.53056399      -0.47738024      -0.21701463
Cl       7.63492004       8.54134999       8.87252002      -0.86863987       0.49799376      -1.15913105
Cl       1.26344999       7.77715002       3.50474002       0.62484300      -0.57723667       0.81075834
Cl       2.04218999       4.01415003       1.45470995       0.75044468       0.92393605       0.89245083
Cl       4.84698000       0.85018104       6.76791998      -0.60672442      -0.14072111      -0.67531166
Cl       6.74361995       1.38166002       9.18727000      -1.28562616       1.30707308      -1.12995791
Cl      10.28910001       4.16883997       3.91180004      -0.36557556      -1.09659907       0.02504486
Cl      11.27069999       6.05832002       5.83107999      -0.10832022       1.07129480       2.54840949
Cl       4.73742997      10.86660005      10.64090002      -1.50583757      -0.05452205       0.68729823
Cl      10.23660003       7.06282999       9.97474005      -0.05438983       0.83331332       0.15976538
Cl       3.36759995       4.89601995       5.68173997      -0.66304747      -0.82074387      -0.25553088
Cl       7.39220002       9.70024999       1.16706004      -2.06260980      -0.77080748      -1.58157033
Cl       4.10304005       7.33745005       1.38329998       1.63645239      -0.22667550      -0.67995608
Cl       5.67179998       5.14291996       3.26394004      -1.22479895      -3.62455622      -1.13439156
Cl       1.26335002       5.53588005       9.48271997      -0.02251963      -0.26863942       0.12816280
Cl       2.39011003       1.36847999       3.74048999       0.84008901       0.19923222      -0.11038403
Cl       9.01691997       0.63100097      10.17940003       1.07609467      -1.10808761       3.58205903
Cl       4.69719001       9.16987995       4.07350004       1.11945816      -2.69851042      -0.89636122
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.65076447 stress="-0.02750833635806852 -0.004133016113225762 0.0008691197037344762 -0.004133016113225762 -0.024657910774077876 0.000293717230604093 0.0008691197037344762 0.000293717230604093 -0.022633917902192872" free_energy=-221.65076447 pbc="T T T"
Li       7.47275997       8.25953999       7.25128005       0.57840185      -0.43232432      -0.75979181
Li       9.86190998       9.56061999       8.57111997       1.75326962       0.21829224      -0.65123575
Li       0.86778799       2.05027002       4.78727999      -0.08790792       0.37067766       0.17466040
Li       3.67255003       4.06207004       1.79998999      -0.08950988       0.32585510      -0.12540780
Li       0.49229900       5.60020005       4.95688003       0.38215291       0.47609196       0.26176575
Li       6.35684002       9.61025998       4.55032994      -0.06626259      -0.37444545       1.22082042
Li       4.96281004       0.79467902      10.55039996      -0.31191930       0.41361795      -0.25033777
Li       1.89188996       6.87267003       0.25139997       0.42140584       0.86087562      -0.09954315
Li       1.77879002      11.06590003      10.72619999      -0.65929807       0.40266582      -1.19027754
Li       4.54651004       5.02348004      10.04170004      -0.15049293      -2.06198612       0.00622568
Li       4.10011998       7.52410000       6.98196004      -0.56876333      -0.35141145      -0.35889790
Li       7.08158005       2.86511000       0.93640102      -0.99237765      -0.24626876       0.41377433
Li       1.14558997       9.57024001       6.11117998      -1.79091658      -0.26335849      -0.84560266
Li       8.83155001       3.94510996       3.25024997       1.63805854      -3.37780875      -1.37410622
Li       4.82829001       2.31055996       4.54796005       0.84217113       0.37713890       0.15057349
Li       6.40054999      10.93580005       8.40344995       1.07263232       1.15815155      -1.34680167
Li      10.01370003       5.85228994      10.05740003       0.79026945       0.27627393       0.56504946
Li       7.22817999       4.87141004       5.46718001      -0.80910408      -0.44954551       1.05382698
Li       2.46099000       8.80429002       2.89209004      -0.92170595       0.77489767       1.48047938
Li       4.91917000      11.27560005       2.28910995       0.24035250       0.57807864      -0.66370227
Li       9.28166000       7.47481001       3.55368998       0.46966870       0.34167678       0.25975421
Li       2.80892001       3.01321004       7.63017004      -0.50018577      -0.27601274      -0.62444781
Li       7.98525995       3.19665996       8.09610005      -0.12835927       0.77359307      -2.86101274
Li       0.49176694       4.53791997       1.14892997      -2.42980476      -0.24094486       1.74394619
Li       3.95275996      11.33849997       6.91568997       0.39161615       0.19741978       0.14717930
Li       9.47302005      10.51750000       4.62135001       3.68136472       2.10193029       2.15761004
Li       7.64843998       1.10725995       4.70286999      -1.43514830      -1.26102507       0.95628298
Li       9.88331001       1.16066997      10.29359997      -0.56647355       0.23637196       0.21883624
Li      10.50400000      10.08110002       1.47411004      -1.28505147      -1.52861982       1.57019923
Li       5.16133996       7.02238997       3.00169005      -0.37804331       0.28408436       0.28894616
Li       4.55634995       9.06961003      11.27289998      -0.69909924      -1.24500795       0.89257631
Li       7.95601996       8.03581995      10.86319997      -0.77870868       0.44882045       0.28980307
Cl       5.26922996       3.53417995      11.46199996      -0.58376694      -1.03969814      -0.62851225
Cl       6.61162997       1.23140997       2.95651998      -1.43318081       0.39188100      -1.47454053
Cl       5.56751998      10.17479999      10.02079997      -0.51538406       0.81189380       0.22122693
Cl       7.52565994       1.76851000       9.16287000      -0.59156769      -3.81094109       2.65303676
Cl       2.11973003       4.82539001       0.22650506       2.71626097      -1.18754540      -2.10688077
Cl       3.36964999      10.87800002       0.49195897       0.56875345       0.92245485       1.49655652
Cl       6.24206996       2.96223997       6.58490995      -0.56443446       0.91538320      -0.75440988
Cl       3.01661998       9.45518002       6.74087001       1.44559158      -0.62489590       0.66786793
Cl      11.22489996      10.72919997       7.27908999      -0.39456019       1.22004709       0.85061667
Cl       9.85328001       7.97280000      10.01759995       2.32546965      -1.02928407       0.54750107
Cl       9.05423998       3.01182997       0.72236303       1.87849657       0.31520218       0.14914137
Cl       2.75270996       6.22372998       5.17837003       0.73099848       0.91140491      -0.13085078
Cl       3.19261995       1.44155996       5.65271001      -0.78107344       0.49524928      -0.90080650
Cl       0.98468696       4.06670000       3.34387003      -0.14328787      -0.81323908      -0.62585767
Cl       4.68533995       6.90974998      10.21800004       0.29514342       2.23108891      -0.61983055
Cl      10.68399998       8.19757005       5.62696995      -0.17784804      -1.32699738      -0.41766086
Cl       3.52814997       7.91288996       1.47553000       0.32835344      -1.59360093      -1.00211203
Cl       6.08633001       7.40630005       6.01454000      -0.23512243      -0.68695705      -0.71242239
Cl       8.02488004       9.45483002       1.10874996       0.03123825      -0.14489382      -1.17323338
Cl       8.22511998       9.45804002       3.88411002      -1.69300683      -2.51782376      -1.26097679
Cl      11.29250000      11.33669996       0.23645204       0.58648377       1.69377406      -1.95211377
Cl       0.86697896       4.14905996       6.58707005      -0.02322247      -1.12775298       1.10405761
Cl       5.53502000       4.90233998       2.72292003      -0.82971056      -0.59858376       0.37328782
Cl       8.79207001       4.71931997       8.94721004       0.23676749       1.41798973       0.10384896
Cl       8.12428005       5.56733999       3.75184994       0.20218374       3.72951238       0.33438865
Cl       0.08960160      10.68869999       3.63185997       0.48700867       0.17389736      -0.34386094
Cl       9.05515002       2.37715000       4.82191003       2.49331170       1.42388308       0.35781719
Cl       7.90004997       9.40722001       8.80940996      -1.05085150       0.91070755      -0.12403491
Cl       0.01368996       6.89053997       1.23061996      -1.04653429       0.30702852       0.65350160
Cl       6.58138995      11.11400002       6.06584002      -0.44566045       0.27733876       1.03605821
Cl       3.09123995       0.93292001       8.80328001       0.10242293       0.39733086       0.75267726
Cl       4.64993998       9.69946996       3.55406004      -1.53150317      -0.55160858       0.22537490
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.72334994 stress="-0.020775133407813614 -0.007059755487102412 -0.0022712382971753825 -0.007059755487102412 -0.015096458858526368 -0.0034326723275077266 -0.0022712382971753825 -0.0034326723275077266 -0.0016090740287501768" free_energy=-225.72334994 pbc="T T T"
Li       6.92776999       7.62657003       5.54531997      -0.96077994      -0.95481116       0.37946836
Li      11.14139999       1.51581995       2.12755004       0.93335857      -0.12922932       0.56972054
Li       0.59968205       7.27648003      10.12670000       0.24857852      -0.31397605       0.42802919
Li       1.16844997       3.33925004       0.06449185      -0.01687064       0.40729114      -0.13947006
Li       1.60588999       2.12796998       7.62332999      -0.22922190      -0.00856399       0.25928953
Li       6.85270005       5.64915998       2.53475004      -0.45350667      -0.26405732      -2.47308581
Li       3.76595995       6.13826996       1.77211998       0.20627806       0.24003917      -1.17061757
Li       0.92066504       4.64456999       3.30317001      -1.35500435      -0.37789512       0.34579848
Li       6.50692005       1.91530002       9.85037004      -0.62039919      -0.30225723      -0.23555266
Li       4.71825000       3.80962005       5.51153004       0.30134440       0.51223209       0.15021585
Li       0.14656795      10.99520004      10.13269995      -1.42977953      -0.27606223       0.39712580
Li       3.24698999       0.18659595      10.81909998       0.90844258      -1.12069779       1.58801698
Li       2.32993001       9.70726005       7.47403996      -0.79621347       0.35865088       0.71673277
Li       9.25616998       2.04189995       8.90779997       1.71229477      -0.27278113      -0.74574999
Li       8.51234995       9.49515001       8.10844995       0.22755180       0.36484497      -0.21202810
Li       4.73579001       8.26989005       8.60452998       0.62836066      -0.35384803      -0.00352608
Li       4.21662000       4.21489004      10.17749994      -0.36148151       0.29812866      -0.47633588
Li       0.37313904       8.44256997       2.49610005       0.59662889      -2.26911662      -0.66967293
Li       8.71821999       8.62351999       0.60498703       0.38733629       0.38206749      -0.11021947
Li       5.17885004       9.38722997       0.73762405       0.09221797      -0.87741576       0.04529706
Li       4.27940997       2.62052005       1.96693995       1.02428902       0.42376470      -0.16962280
Li       3.08643997       9.99607003       3.39338002      -0.22731362       0.25417188       0.39018149
Li       7.50692995       5.50407000       9.13125002      -0.74137106       0.09971533      -0.34896326
Li       9.26435995       0.03938462       4.57211001      -0.32927069       0.01964603      -0.32409274
Li       2.33126995       5.83455000       6.40866005       1.30008090       0.63156631       0.01929634
Li       7.10151001       0.94352596       1.68708999      -0.63187765       0.27182609       0.27352756
Li       9.06205002       3.38982001       0.53923904       0.14657515       0.03228675       0.16197279
Li       9.98711998       5.10584998       4.66958998      -0.45787105      -0.45785187       0.47115530
Li       7.83492999       3.17687995       5.37115004       0.15757048      -0.54192221      -0.17771292
Li      10.69980005       8.82095002       5.53591995       1.38199759      -0.22405657      -0.05576123
Li      10.33619997       4.99178005       8.38845994       1.07748713      -0.12153215      -0.12522893
Li       4.75535002       0.71204105       5.98652004      -0.34415409       0.68029191       0.39516262
Cl      10.88460000       3.75445004       2.17196003      -0.75917977      -0.07573318      -0.57009447
Cl       4.14913998       1.94480999      10.42949995       1.66171544       1.72418803      -1.06243389
Cl       1.91113000       0.09681986       9.38906999       0.80583746      -1.11681066      -2.76811016
Cl       8.76596000       4.41671995       7.14169999      -0.42885134       0.24144677      -1.05343635
Cl      10.71700002       9.07042996       0.03871992       0.68144607      -0.28357306      -0.66820264
Cl       0.60718599       4.84417996       6.56678996      -1.11366261      -1.31572585       1.08981659
Cl       9.15319999       0.88855301       1.94142998       0.06801641      -1.05702043      -0.66705823
Cl       8.11467001       3.42267997       9.78140998      -1.23616797       0.83817200       2.01862828
Cl       2.78804001       5.05470003       3.26307002       2.99046458      -0.62267483       1.08701177
Cl       2.64329006       5.76441004      11.25219997      -0.79776410      -0.20881601      -0.58244849
Cl       2.87786000       8.17591001       2.16422003       0.15852626       0.70507171       0.16931630
Cl       3.50715004       2.39325995       6.47670996      -1.26379685      -0.67345261      -0.35766832
Cl      11.30270000       9.20881998       7.72859994      -0.17015111      -0.08826614       0.20801569
Cl      11.38020255       1.93306999       9.88921996      -1.09968124      -0.09591453       0.07110502
Cl       8.06216005       0.38537395       8.76836005      -0.65104362      -1.55893288       0.05762210
Cl       5.67582005       4.89665002       0.15303496       0.62979185       0.16512592       0.82223367
Cl       8.67531996       8.61262995       5.46775999       0.06523692       1.22036348      -0.25794920
Cl      10.92100001       4.72005001      10.49289994      -0.12709316       1.96161625       0.05070797
Cl       0.09986454      10.29069997       2.96349004      -0.10163198       2.06437327       1.44532109
Cl      10.36340001       1.81404004       5.03149999       0.08471530       0.40565426       0.40022525
Cl       2.40278998       1.93781002       1.45732003      -1.70782317      -0.57109263       0.34715677
Cl       4.05343996       9.15011003      10.36440004      -0.34769144       0.42190919       0.36138304
Cl       7.36095997       5.52166996       4.41380997       0.27564035       0.55875728       2.28461882
Cl       3.20733997       7.76340997       7.23442000      -0.41981345      -1.11809465      -0.43394647
Cl       0.06611989       6.48275003       4.15753000      -0.35404467       1.98656647      -0.64338056
Cl       6.98901000       7.85188005       8.37007995       0.21652545      -0.35322304       0.02491711
Cl       6.66099000       1.03711002       5.55823999       1.81098618       0.48003497      -0.61685163
Cl       7.00413998       7.71370005       1.22300000      -0.79693568      -0.03634032       0.55248206
Cl       3.59531999      10.57270005       6.01131005      -0.56511101      -1.01339051      -1.32723062
Cl       7.15346005       3.06878005       2.65477004      -0.80905352       0.11745939      -0.29896040
Cl       4.85053003       4.63237005       7.71354000       0.69035980       0.99259635       0.35517235
Cl       5.13169998      11.46274445       1.22722997       0.23495719       0.19527716       0.80868730
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.81627254 stress="-0.02251888676417266 -0.0012643056849678382 -0.0039571174723759895 -0.0012643056849678382 -0.016911343661019675 -0.0013049758078207503 -0.0039571174723759895 -0.0013049758078207503 -0.016799388401111788" free_energy=-220.81627254 pbc="T T T"
Li       7.39357000       0.23436898       0.76112101      -1.64526390      -1.88260612       2.29328011
Li       3.73270001       9.83116003       5.70516998      -0.22295309       0.19585837      -0.09479852
Li       1.41436004       1.77388996      11.02099994       0.04577231      -0.56730577       0.08302660
Li       5.84667004       5.63450003       9.97842994      -0.19504479      -0.34772212       0.13246524
Li       5.76833003       0.89550106       8.51175999      -0.08653837       0.03265291       0.51823273
Li       8.97756997       6.17902995       3.85709994       0.52640206      -0.71391230      -0.90783321
Li       9.62590998       6.77855998       9.21830002       0.08375961      -0.51583792       0.11201130
Li       6.78149002       2.11908000       3.45863997      -0.76621583       0.32277109      -0.44561514
Li      10.65990000       9.54659998       2.80073005      -0.70955775       1.10527630       2.06819744
Li       0.34125998       6.15321996       5.05937000       0.85750465       0.14302210       0.71554887
Li       5.57841001       8.38298999       0.38309497       0.28428285       0.51767490       0.16930734
Li       8.78126997       9.11050002       6.56480997      -0.29674554       0.07549175      -0.40564187
Li       2.51181001       4.20686000       8.40735996       0.52482032      -1.20632412       0.18682676
Li       5.08214001       3.26172996       0.24653097      -1.30890392       0.06250440       1.01667673
Li       6.98563996       4.98642004       7.12037001      -0.34447957      -0.30202173      -0.68363635
Li      10.51640000       2.48886999       2.35537005      -1.30439879      -0.14697653      -0.12678228
Li       4.06735003       6.77001003       6.15602997      -1.39367766       0.51589789      -1.22508309
Li       1.59991996       8.05541000       8.64286000       0.33506388      -0.19533112       0.11291247
Li       9.10575003       2.97924001      10.45199998      -0.74599874      -0.37177864      -0.06776628
Li       4.54406999      10.91569996       2.36497998      -0.25507884       0.52920354      -0.59461849
Li       5.39970997       9.14022002       8.46026004      -2.72259795      -0.53994289      -0.48728716
Li       2.37381997       8.24120000       2.80170004      -0.63788120       0.07112417       0.38362384
Li      10.02089994       3.19590000       6.03204997      -0.09383258       0.05871103      -0.10382200
Li       0.97727794       0.58037104       4.13397996      -0.68911290      -0.50615014      -0.28651496
Li       2.23650002       4.00991994       2.40000003      -0.31034541       0.47486417      -0.02716435
Li      11.33599995       9.04608005      11.27979999       0.21434853       1.65283470      -2.52530033
Li       7.30669002       8.98490001       3.23401999       0.37284522      -1.03862237       0.90272558
Li       5.32980996       5.64621997       3.20868003       0.01150622      -0.50460915       0.41623658
Li       8.74761004      10.45719995       9.30281000       0.94572075       0.35968170       0.07854684
Li       0.53443103      11.21530000       7.17682999       1.40664402      -0.06901832       0.18327732
Li      10.55909997       6.19163000       1.24083005      -0.76728902       0.80039666      -1.04740851
Li       2.77653996       3.26148004       5.72107002       0.01309749      -0.56303507      -0.42205319
Cl       1.18281999       8.92018999       4.77514998      -0.02795753      -0.46329058      -0.04004805
Cl       7.41868996       5.04566996       4.63910004      -1.64578298       0.00731057       0.07878503
Cl       9.04794999       5.10843999       7.58493004       0.57767064       0.17860627       0.61854792
Cl       1.57849999       5.98073998       8.43943002      -0.04108940       1.24438668       0.36617632
Cl       8.73323005       7.71234004       1.00317999      -3.18436871      -0.89447070      -0.89378410
Cl      11.05870000       8.46124998       8.93813996      -1.71318962       0.35904740       0.22898305
Cl       5.12347998       5.70469995       1.01842004      -0.04348448       0.80323381      -0.68879208
Cl       5.24436003       6.21176001       7.63049998       0.97555773      -0.74481675       1.99449865
Cl       6.46095001       3.44066994      10.24500002       1.49252192       0.56348246      -1.85743847
Cl       9.99810998      11.07489994       6.80101002      -1.38552339      -0.00584512       0.10007929
Cl       0.62031202       3.86459999       6.74053996      -0.11038579      -1.03613542      -0.82641552
Cl      10.02849996       4.50796003       0.18943806       0.03389790      -1.15022166      -0.59829119
Cl       2.87175997       5.30416001       4.49658998       0.26815312       1.33176770       0.55269783
Cl       3.90807999       2.92547999       2.98548001       1.69671393      -0.60370636       0.20703161
Cl       8.72477996       2.26214000       4.27751000       1.08752739      -0.42868636       0.11939602
Cl       0.94869497       2.37136994       3.05128005       1.12800366       2.73263385       0.27615345
Cl       2.48876004       0.59957405       5.44309998       0.95172485      -0.37817688       1.39933848
Cl       6.16585004       1.65214996       1.26660003      -0.59499229       1.43181191       1.61178057
Cl       6.94578003       9.34032995       9.49721002       2.32746687      -0.35280291       2.24737046
Cl      11.29659998       0.06301995       2.45271004      -1.54069743      -1.53555222      -0.95780976
Cl       4.57687995      10.75190004      11.42669995      -1.54732507      -0.39882000      -1.10007071
Cl      11.14619997       8.23765995       1.50780998       4.29441613      -1.25256131       0.71557191
Cl       6.47836998      10.06000002       1.84562001       1.49666730       0.51626704      -0.49797058
Cl       4.46159000       8.84574004       3.40966996      -0.88692705      -0.78680512       0.88431318
Cl       8.56227998       0.56313197      10.90319999       3.16815026       1.27302008      -3.62917911
Cl       2.73351004       3.50623003      10.58269999       0.04553229      -0.16455917       0.45719432
Cl       3.24231004       9.06755999       7.88949997       0.13375876       0.62384819      -0.38791559
Cl       4.52182997       2.30698001       7.49736002      -0.25004480       0.56047825      -0.37293057
Cl       6.14517994       9.23009000       6.60841997       0.83670653       0.59809670      -2.45396299
Cl       8.86667003       8.13889999       4.38464003       0.70230344       1.39039913       1.12106272
Cl       0.36644196      11.19359995      10.58569997       0.41968072       0.52809133      -0.43847690
Cl      11.19749999       5.77168000       3.06523999       0.20946305      -1.39280216       1.84253479
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.40664569 stress="-0.018310379804039142 0.0021412307953208153 -8.390719116402677e-05 0.0021412307953208153 -0.030425386219691368 -0.008715441187144304 -8.390719116402677e-05 -0.008715441187144304 -0.016584969662540718" free_energy=-220.40664569 pbc="T T T"
Li       4.44079001       3.33131997       3.97116999      -0.44454900      -0.09574089       0.41446118
Li      10.04430003       0.69630495       4.60073001       0.12766962      -0.27989404       0.22026821
Li       5.29001997      10.63259999       1.49374995      -1.89559195      -0.03024976      -0.52315582
Li       1.60169005       9.99976004       1.31028995       3.68872523      -5.94717633      -1.51975719
Li       8.06137005       5.51980002       0.15432102       0.17073896       0.74453948       0.28796310
Li       9.74786000       0.73207304       0.41862805       1.12534488       0.26936531       0.70509932
Li       2.93553003       0.64214803       3.68232000      -0.85846450       1.22617650      -0.30420994
Li       1.12086003       9.82137997       6.70927996       0.48446525      -0.61075569       1.57470827
Li       1.35967004       6.54715005       2.94861995       1.90732390      -0.05451906      -1.07714511
Li       3.56389995       8.40092001       4.57071997       0.15471778       0.12445766       1.96160633
Li       0.87299003       2.01550998       1.59692996       0.95826373       1.48996002      -0.33619247
Li      10.58810001      11.40909999       9.20819002      -1.49252892      -1.13929555      -1.14948248
Li       4.46709996       7.50356999      11.19990003      -0.21743413       0.85163772      -0.29146190
Li       9.99039005       4.42263999       2.88397001       0.66316699      -0.13906113      -0.31368153
Li       7.09934005       1.94719995       2.21814995       0.05631300      -1.56835593      -0.35827056
Li       5.80299996       6.47964997       2.43303997      -1.11136714       0.33696848       1.62946472
Li       5.13287002       4.15238999      10.61110000      -0.22579887      -0.30394219      -0.49259851
Li       0.52755705       3.57545996       9.51912995      -0.21828065      -0.21194987       0.44424629
Li       7.85424994       8.90063995       4.01467005      -0.79366099      -1.71270401      -2.17529385
Li       8.33766997       2.75835004       7.53222003      -0.28940407      -0.29129291      -0.33360118
Li       5.80087001       7.71691004       7.49934999       0.27088540      -0.31524510      -0.18626953
Li       6.32608995       0.04157762       9.83671998      -0.39525034       0.35891402      -0.73394693
Li       7.20021001       5.23579003       5.08082001      -0.14083357      -0.00291442       0.27707565
Li       1.28028001       2.36243996       6.27282003       0.09048400      -0.30281369      -0.05721415
Li       9.30922999       7.58480004       8.59950003      -0.08699426       1.05779574       1.43816024
Li       2.56994996       6.72173005       7.82781996       0.89529175      -0.55707765       1.62618587
Li       0.24710499       6.69439004      11.29870000       0.24436254       0.84964843      -0.77106039
Li      10.97410003       6.27767997       6.38441001       1.43709886      -0.05118475      -0.57646014
Li       5.45455004      11.23829998       5.83513995      -0.35077724      -0.33560344      -0.25615970
Li       3.34987995      11.00969995       9.63540000      -0.02718104       0.63914071      -1.41059038
Li       4.70849000       2.07338006       7.43410999      -0.15426554      -0.45736143      -0.14072461
Li       8.26687002       9.01194997       0.44569303      -1.72761797       1.55005087       0.76186030
Cl       3.46285000       1.47746999       5.63965999      -0.02439481       0.62211325      -0.21564568
Cl       0.80208196      11.44360002       1.64905999      -2.59717856       3.69671964       1.58902182
Cl       3.33894005      10.32089997       0.01565195      -1.11459893       0.06156614       2.18725923
Cl       1.51940999       7.84728998       6.60124998      -0.84573697      -0.58899011      -1.87620166
Cl       0.19800004       1.29232003      10.04220000       1.43062628       2.04421184       1.01550918
Cl       9.12299998       6.21365001       7.24131003      -1.12138375      -1.63221188      -1.14846161
Cl       4.61325004       1.60113002       9.49392998      -0.49206185       0.53861857       1.48587690
Cl       3.66599005      10.24870000       3.65409001       1.09620030       0.20407767      -0.32181762
Cl       7.63748998       7.27495001       2.69819994       2.35363173      -0.55278263      -2.23004684
Cl       6.34281003       7.42171996       5.03656996      -1.79831571      -0.18637132       2.34074618
Cl       7.19507000      10.58349997       2.00350000       2.09204969       0.61271653       1.34447493
Cl       0.73281295      11.39010001       5.70656003      -1.25752632       2.09184533      -1.69900415
Cl       9.44169000       7.65014001      11.14380004       0.50758637      -3.19169982       0.47309352
Cl       3.42303994       7.39739001       2.88459997      -0.18449188      -1.74066270      -1.86899474
Cl      11.26569996       4.77354005       0.48419696      -0.44643647      -0.82693087      -0.06747520
Cl      10.37640004       1.86738001       2.28134003      -1.88301458       0.91189441       1.12435816
Cl       2.39034998       3.59525005       2.45526004      -0.68112024       0.04889189       0.62325319
Cl      10.52570005       2.64119003       6.67295997      -0.74659980       0.11812439      -0.03862779
Cl       7.95864998       3.62402998       2.94038000      -0.10498780       1.93388333       1.03210916
Cl       1.34869001       4.96968001       8.05822001      -0.20975500      -0.82276183      -0.19893326
Cl       5.48094999       3.75379004       6.54337004       0.70658866       1.33748902      -2.12835663
Cl       6.09245996       5.65136995       8.61292000      -0.15600392       0.94662132       1.24876898
Cl      10.23470005       9.34282996       9.23017002       1.22668502       1.24102326      -1.55765921
Cl       8.29021003       0.25781206      10.57179999       0.32951602       0.59606002      -0.64957694
Cl       5.08558996       2.48921002       2.03462001       0.09781091      -0.71866308      -0.51361437
Cl       8.21245000      10.15020005       5.29449001       1.19787102       3.04063641       2.61739319
Cl       6.63014994       0.91299796       7.23522995       1.23498194      -0.20589843       0.31649371
Cl      11.30560001       5.97634996       3.97119005      -2.04662440      -0.56785393       1.41740457
Cl       5.63521002       5.83129002       0.56594898       0.21134874      -1.08565933      -1.52103631
Cl       3.43053002      10.17519998       7.56036003       0.74974911      -0.22864242      -0.14054110
Cl       2.38674996       7.58552997      10.31820002      -0.44349585      -0.77598368      -0.08627340
Cl       5.92670997       9.67860004      10.88640001       1.07422934      -2.01289806      -0.88731931
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.70702449 stress="-0.015599193357047394 -0.0006774208260872409 -0.005689841620237928 -0.0006774208260872409 -0.020721638600257875 -0.002960631679690529 -0.005689841620237928 -0.002960631679690529 -0.007219918509498701" free_energy=-222.70702449 pbc="T T T"
Li       5.79600996       1.14602000       5.13170995       1.31386861      -1.15163811       0.02183398
Li      10.89700000      10.37589997       0.82743797       0.50880624      -0.34549554      -0.20145771
Li       1.76881999       0.98176701       1.59870005      -0.07528671      -0.39545651       0.95471631
Li       1.73676999       9.86819997       7.57420005       1.08726305       0.84546647       0.79032216
Li       8.55175004       6.27445002       7.48922004      -1.03577544       0.53713694      -1.39493771
Li       4.99959995       9.60493998       6.37118000      -0.33966198       0.34512040       0.91454688
Li       6.76535003       3.67124998       4.54832003       0.01282792       0.72473965      -1.60033562
Li       4.45627000      10.12569997       0.91687403      -0.22550568       0.68695379      -0.04403782
Li       4.15424996       3.92165003       7.09169005       0.44805289       0.23956814      -0.05332839
Li       5.13614996       0.72589701       8.97923000      -0.16313192      -0.41617344      -0.04418387
Li       3.49952997       7.34745998       9.82699001       0.40970556       0.05330660       0.25434642
Li       5.31119002       7.51478997       3.37162999      -0.19386277      -0.84365746      -0.38070499
Li       6.22951004       1.96521996       0.73513699      -0.31994162      -0.09232533       0.51136074
Li       2.04004996       8.22471999       3.05128005       0.37223684      -0.45821521      -0.16519251
Li       9.22607005       5.57363995       2.13338995      -0.15352429       0.85194287       0.00847505
Li      10.03600000       3.85510997       5.79316005       0.22763847      -0.67550381       1.02260374
Li       3.06730998       4.51560005       1.67930999       0.49734407       0.08288497       0.08819026
Li       2.75459996       1.52468001       4.32742995       0.77125519      -0.38459018       0.32886327
Li       8.00910004       9.48701002       3.21762997       0.29933341      -0.00536398       0.17554561
Li       3.48087999       3.19096004      10.41989999       1.60889153      -0.80941630       0.17633833
Li      10.97399995       1.52516999       9.29299004       0.14027610      -0.81830284       0.48885354
Li       0.33467604      10.60040004       4.75681000       1.88808292      -0.44292503      -0.98631995
Li       3.18315997       6.03850000       5.64084001       0.30879556       0.53065960       0.30736428
Li       6.81162996       8.79739999      10.32480001       0.49752592       2.48177803       0.03060324
Li      11.27270005       7.64448996       5.44273003      -1.04780887      -2.38487838      -3.05649212
Li       7.51755000       3.45251002       8.43483995       0.23432932      -0.36420627      -0.09772337
Li       7.67375001       5.65825998      10.95190003       0.90685179      -0.89330653       0.39714798
Li       9.15521003      10.22600004       7.20267002      -0.00279295       0.71646963      -0.00617532
Li       0.72149197       5.01663002       8.14988002      -0.88817899       0.05773375      -0.22285426
Li      10.77759998       8.37516998       9.44556000      -0.79282737       0.48001337      -2.06277660
Li      11.33629997       5.08641000      11.38807691       0.41800858       0.52402210      -0.22533780
Li       9.62409002       1.80822995       3.08492003       0.12149184       0.22387738       0.27670026
Cl       5.41900997       4.15743003       0.85024398       0.13228088       0.11299470      -0.04415445
Cl       3.83990994       1.26510005       1.17955003       0.32523491       0.27551802      -0.36871712
Cl      10.97770005      10.45290004       9.36487004      -0.21584960       0.90048123      -0.11218025
Cl      10.03099997      11.10130012       5.42435003      -1.86208684       1.17039488      -0.22772542
Cl       7.04383001      10.17150000       6.01933998      -0.22441076       0.52658440      -0.36458416
Cl      11.23139998       7.34269003      10.99579997       0.68344217      -1.39553467       1.69930699
Cl       2.73953005       5.64655002       8.05484997       1.06366426       0.36574582      -0.28420664
Cl       2.65728003       5.32015005       3.75820998      -1.17533858      -0.03957918      -1.47472020
Cl       4.42466000       2.60299999       5.35961996      -2.81769578      -0.29820036      -1.17642194
Cl       0.38733102       0.95270197       0.01421995      -0.60564086       0.35207001       0.10394275
Cl       9.05763995       8.19489004       7.71129002      -0.72163843      -0.01891635       0.90809246
Cl       1.99157004       4.39946999      10.94259997      -1.25594766       0.77360406       0.57061572
Cl       0.74638998       1.51760999       3.88864001      -1.45434229       0.81811561      -0.57322405
Cl       3.68947004       8.15904995       1.34583002       0.32359431      -1.09824792      -0.39495995
Cl       9.63412001       2.52088995       7.99500998       1.23064091      -3.49722855      -1.13195585
Cl      11.28459997       8.73509999       2.99224004      -1.38386561      -0.63279812       0.20173171
Cl       9.25322996       4.66105999       4.06630999      -1.11055080      -0.26605366      -0.54190629
Cl       3.16999004      11.38039997       6.71255003       0.08847738       0.20889295       0.08851641
Cl       5.35436003       5.37930000       5.02775003       0.88764372       1.56372956       0.21714150
Cl       2.22165000      10.35009995       3.03397002       0.43582567       1.91522694      -0.15612126
Cl       6.85903005       3.01256999       6.41798005       2.23634479      -0.86129764       1.16038117
Cl       4.19160998       9.50929005       9.21861002      -0.10023068      -0.10351455      -0.13264087
Cl       7.28775997       1.40436995       2.88358996       0.25596430       0.02094559       0.31068650
Cl       9.14520996       4.85674000       8.63947999       0.04502617       2.46182820       2.74496826
Cl       6.25136004       6.97759994      10.41660000      -1.86203824      -1.66970818      -0.89912407
Cl       4.16883997       8.72331001       4.69641995      -0.42004783      -0.71181531       0.02400401
Cl       6.37055003      11.06990003      11.41740001       0.45090322      -0.06383605      -0.60014510
Cl       0.22412599       8.84122002       6.74284003       1.66749500       1.61640162       1.74763711
Cl       8.07743999       7.83236005       1.44392998      -0.02510077       0.16779023       0.86821897
Cl       0.07771991       5.49730997       5.96654995       0.32539823      -0.17741344       0.69842741
Cl       9.73063996       4.01754002       0.72458595      -0.77344219      -0.55712114      -0.15416559
Cl       5.34135002       3.20813995       8.93891999      -0.97799621      -0.75927744       1.08732820
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.1511005 stress="-0.018356728607932513 -0.0023029742302428688 -0.0026510389646549515 -0.0023029742302428688 -0.01668837035997274 -0.00033603013114195604 -0.0026510389646549515 -0.00033603013114195604 -0.026682627217874334" free_energy=-223.1511005 pbc="T T T"
Li       1.66765999       9.56685999       9.32966003      -0.93857581       0.77883783      -1.26071013
Li      10.21969996       7.49433999      11.04319995      -0.38369487       0.21103425       0.18183716
Li      10.08279995       1.30335004       4.08132005      -0.58234928       1.24389209      -3.31445135
Li       8.44075001      10.38990004       1.52559004      -0.66269113      -0.73121501       0.50826113
Li       3.22843001       1.74790995       2.97866003      -2.16239223      -2.14157465      -1.91426177
Li       2.98998995       0.50092805       0.07277491       0.60268911      -0.22491610      -2.20587379
Li       3.81896000      10.03909994       5.86655999       0.22200662      -0.51393165      -0.78670217
Li       8.07365001       0.05991474       6.60760005       0.03839062       0.27567646      -2.81564089
Li       9.08561004       3.46035996       6.17725998       0.03745840      -0.04026500      -2.13305275
Li       3.59566002       8.66419995       0.82546703       0.77159035      -1.22708853       1.53383102
Li       1.48683997       5.42867000       2.66901005       0.29670862      -0.01674597       0.14977120
Li       9.68666000       7.79314005       3.63757996       0.30842819      -0.46494941      -0.45310999
Li       5.98794998       1.91640999       3.78980003      -0.52550309      -0.23590271      -0.41942088
Li       8.79412005       4.52207003       9.80892999       0.83402605       0.76404712       0.44300349
Li       2.81265003       1.48199998       8.59734004      -1.39884462       0.43853567      -0.25340153
Li       0.17062494      10.60969998       1.92771996       1.50460857       0.90209008       0.17380897
Li       6.43800001       2.04038001       8.45381998       0.61707124       0.44299680      -0.35276743
Li       4.69301002       4.45416000       0.90464600       0.74150921      -1.66655358      -0.43230770
Li       4.67933004       6.73582997       9.17694000      -0.20457321       0.08613567       0.39145833
Li       4.54913995       5.56787995       4.28467001      -0.11563854      -0.28636187      -0.28744772
Li       0.80569103      10.71520002       5.73151994      -0.90863513       1.41011806       1.41458046
Li       0.12941991       2.00353003       0.72413804       0.16704518      -0.09201190       0.39537275
Li       1.00971005       2.97498997       5.43816002       0.08521785       0.74930510       0.81907769
Li      10.24009996       1.28055000       9.48491997       0.27082393       0.28049323      -0.27238216
Li       6.42408994       1.47808000      11.33709995      -0.54860660      -0.31219311      -2.21704564
Li       9.96167994       7.93332997       7.27230004      -0.16450717      -0.16575041      -0.36862651
Li       6.67612996       7.79236003       5.54372002      -2.38982330       0.64122288      -0.33564600
Li       7.53228997       6.46609999       1.27246997      -0.64166863       0.36312232      -0.55400471
Li       1.38470000       4.62948999       9.55297996      -1.71810379      -3.03180293       0.51186850
Li       2.18784998       6.71797000       6.88327001      -0.34761658      -0.02848105      -0.21937240
Li       8.53531003       3.38059998       1.93604004      -0.40214036       0.16369353      -0.67950310
Li       7.49282005       9.47293005       9.33608002      -0.69634645      -0.48548413       0.04790697
Cl       5.75704000       8.09883004      10.66280000       0.29704617      -0.55655256      -0.42784237
Cl      10.25859998       0.65419802       5.80201999       0.31429292      -1.96402077       3.87826552
Cl       7.37040997       2.20992995       5.18594999      -0.30653498      -0.46901993       2.18525171
Cl       9.85614998       0.34185899       1.66665996       0.21726719       3.38445368      -0.09560389
Cl       8.58321995       7.56748003       5.42278000       2.35047044      -0.50900472       0.70461938
Cl       7.95436005       0.03834206       8.54630004      -0.03209745       0.28798939       2.21998582
Cl       1.64056003       9.51458999       4.47182003       1.11358964      -1.40094337      -0.89877575
Cl      10.98259999       3.29683003      10.46879996      -0.91751088       1.31304087       1.17442601
Cl       0.96143798       0.77393796      10.53700005      -0.39159387      -1.31399085      -1.22987659
Cl       9.46187000       6.76003003       9.02685996      -0.82237803      -0.64722816       0.67188348
Cl       4.12684001       3.12450000       3.87281999       1.06175491       2.43084144       1.80624767
Cl       4.67947001       1.28981004       9.45858996       1.71290184      -0.03352655       0.78548432
Cl       8.55221996       9.40907997      11.14729997       0.46034930      -0.29274331      -0.39022021
Cl       8.91922000       3.33483996       8.12435996      -0.34031143      -1.03889112       0.46362498
Cl       4.38531000       7.18862994       5.88927004       0.01870147       0.16022268       0.59551394
Cl       6.28829004       6.05484004       2.98116004       0.65150200       0.03128390       0.75951151
Cl       6.47883005       2.22132006       1.65860000       0.53421639       0.41279351       1.49843464
Cl       0.38900205       8.38342002       8.16211000       0.20780699       0.62449926      -0.92914209
Cl       9.41289999       5.63445005       1.72212002       0.91990300       0.67253299      -0.93042435
Cl       3.29845005       2.52126999       0.41456602       0.05357349       2.06579642       0.85479598
Cl       0.78251301       1.76047996       3.75169002       0.95271490      -0.07714687      -0.93315814
Cl       3.04493996       9.56364002      10.67000003       0.62323314       0.75257478      -0.23255978
Cl       9.43953999       3.47103997       3.75819003       1.45162306       0.38391341       0.85500960
Cl       6.64727999      10.30559998       5.09647002      -0.53885989      -0.30836446       0.14862826
Cl       2.30609004      11.29760000       1.74115003      -0.03628823      -1.25654032       2.66121720
Cl       1.01780005       3.18152998       7.83058996       0.76888389      -0.55015007      -0.86050528
Cl       6.78421004       4.14390998      10.33390001      -1.13542101      -0.13001512       0.62489153
Cl       3.79966998       6.16093003       1.42018000      -2.40270547       1.48077125       0.28823362
Cl      10.35250000       9.09899000       2.04812998      -0.24177810      -2.88380651       0.61740972
Cl       1.19133004       5.32201998       4.95113998       0.20463834       0.32310819      -0.18821981
Cl       3.14134997      10.98199995       7.61963998      -0.89391446      -0.39347856      -0.50459214
Cl       2.28373997       6.21643996       9.19159994       2.43906160       2.41562837      -0.46756348
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.01405904 stress="-0.017014615939401432 0.0007583413739949139 0.009705027946441996 0.0007583413739949139 -0.021491237753055597 0.005799029488622033 0.009705027946441996 0.005799029488622033 -0.024285366091892982" free_energy=-223.01405904 pbc="T T T"
Li       0.95016206       9.55537003       9.66556997      -0.60183864       1.05257405      -1.19974446
Li       7.84182003       7.06279995       6.54079998       0.70043097       0.16216357       0.15336311
Li      11.25860001       7.97498005       1.29073005      -0.74226898      -0.13222523       1.02190461
Li       5.42448004       4.11893997       5.16241004      -0.07689386       0.11940195       0.40419290
Li      10.78969995       1.25293002       5.73300995      -0.05606094       0.02170107      -0.25552985
Li       5.70644997       1.49351998       6.80976002      -0.39324980       0.08521921       0.77669130
Li       3.35888996       6.46434000      10.87970005       0.02230129       0.00699431      -0.35460472
Li       6.88876003       8.85327001       0.38227802       0.15560511      -0.32251595       2.74453276
Li       8.39463999       1.66462998      10.93279996      -0.09694868       0.33982042      -0.54485477
Li       4.94813003      10.11390002       8.62264996       0.64555947      -0.56167220       1.00854910
Li       9.36091005       5.77089997       9.98122998      -2.30547654       4.84589001      -0.45045197
Li       2.44807996       6.07484005       2.94851998       2.42976989      -0.07967841      -0.09424347
Li      10.36840004       5.14854995       4.76535994       0.40985101       0.89779272      -1.09773309
Li      10.57009995       9.28983002       6.49107000       0.10424542       0.73691561       0.51503120
Li       2.42678999       2.56624998       4.22026002       0.81726759       1.02985015      -2.22589499
Li       5.12993998       9.34790004       4.99412999      -0.01290875      -0.01461969       0.04274376
Li       1.16280003      10.07579997       3.84134000      -1.99350456      -0.46046802       1.97768935
Li       2.30492997       7.44193997       6.00100997      -0.23777841      -0.03841929       0.09181492
Li       5.31422003       4.46434005       8.61357002       0.78549612       0.10603632      -2.21010482
Li       2.16222995       0.55559100       7.90820004      -0.33340285      -0.38722602      -0.18226297
Li       8.55258005       3.16962994       7.51957998      -0.92759551      -0.13755114       0.89393803
Li       1.82285997       3.77060000       6.91867997      -1.14763165       1.03373442       0.13260140
Li       7.16807999       0.53343903       2.93545999      -0.05608638      -0.15667915      -0.17814758
Li       7.00603996       3.69521995       2.74507005      -0.05577023      -1.47005470      -0.40952014
Li       7.94216996       7.57465002       2.98309006      -0.35326884       0.54720321       1.23411226
Li      10.81699996       1.57065005       2.21242997       0.34831164      -0.07625445       0.63941392
Li       4.17261000       8.96926995       2.22477998       0.08499913      -0.21141556      -0.66012488
Li       0.85490696       4.86562997       9.86479004       0.33061494       0.20141545       0.10635943
Li       0.28654303       4.61115001       1.58271999      -0.90375777      -2.17427384      -0.00585625
Li       4.09272002       3.70282994       0.77476797      -1.25606244       0.41831194       0.22010150
Li       2.77081997       0.51512301       1.26555002       0.09208085       0.45775224      -1.16935888
Li       8.68379000       9.57042997       9.78064004       0.09171393       0.29193143      -0.12049256
Cl       9.58737005       8.28205996       8.42642998      -0.44564820      -2.45741099       0.27780083
Cl       1.88875000       5.20568001       0.44430803       1.51932297      -0.86389552      -1.91886740
Cl       5.99936003      10.31310002       1.83753998       0.26606851       0.42269805       0.34445134
Cl       1.31822002      10.17669997       6.20832004      -0.91094414      -0.91585976       0.04049849
Cl       3.80449999       3.59117003       7.04097999       3.03574266      -1.73769671       0.48261061
Cl      10.53300005      10.92100001       8.56997997       0.04470771       1.55298390       0.22869247
Cl       4.59343999       4.29662004      10.37420005      -0.16996575       0.11987134       0.91843357
Cl      10.19049998       4.20519000      10.03010003       2.01273590      -4.35019459       0.37957315
Cl       0.61424604       6.28404998       2.53647002      -3.58135898       3.12178491       2.13889685
Cl       1.90674996      11.33860005      10.51279999       0.93873986       0.59704665      -0.64624997
Cl       7.31491002       2.15028004       8.75818997      -0.97844256      -1.26513745       1.06046210
Cl       3.38173999       7.88764998       3.98564995       0.33900703       1.18000342       0.77721290
Cl       4.03653003      10.48710005       6.80506998       1.20316510       0.72510312       0.03842504
Cl       6.48724001       1.41801004       4.87967005       0.28285977       0.43233585      -0.16150643
Cl       1.49899005       2.23564995       1.59577001       0.58286272      -0.37523095      -0.69958536
Cl       7.32050998       8.85226998       5.34376004      -0.64870330       0.20296163      -0.50124983
Cl       6.48649999       8.70634998      10.00409996      -0.38914738       0.76026699      -3.46736194
Cl       2.14753996       5.69197001       8.22503995      -0.67281410       1.01341078      -0.02481694
Cl       2.59566996      10.52349994       2.68128004       1.61121166       0.49572072      -1.06887045
Cl       6.97863998       5.05229001       7.08026005      -0.82028234       0.24068740       0.00326861
Cl       8.62304995       1.93025001       1.66005000      -0.05497230      -0.03400473      -0.14403037
Cl       7.77302999       5.48393999       2.93900004       0.50602170       0.52320817       0.61751109
Cl       9.71870003       4.01516004       6.30347001       1.82969632      -0.31520669      -0.44633324
Cl      10.57109998      11.19649996       3.97648999      -0.33519711       0.23093484      -0.36817596
Cl       8.98037998       8.03774996       1.25426000       0.36746579       0.61703809      -1.27425485
Cl       5.22463998       2.67354005       2.09170995       0.06939637      -0.85760889       0.73695063
Cl       0.07011989       3.38718002       3.73991998      -1.24438931       0.78887959      -0.25455655
Cl       4.90329002       7.26478005       0.73456905      -0.15562950       0.01316108       0.76757538
Cl       1.46197005       2.01880997       5.80442004      -0.79497974      -2.06938902       2.69680365
Cl       0.93008902       8.22278998      11.13810000       0.77836098      -0.95336160      -0.24816376
Cl       3.50096999       5.15460997       4.53584998       0.04814259      -1.71464768       0.03123576
Cl      10.24420004       7.44729001       5.54254000       0.29922455      -1.26010631      -1.12049356
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.52125447 stress="-0.016398471740825444 -0.003678540932058519 -0.0007235988061173438 -0.003678540932058519 -0.014102821222492776 -0.0020319235643161872 -0.0007235988061173438 -0.0020319235643161872 -0.02342025354312298" free_energy=-223.52125447 pbc="T T T"
Li       5.34118998       8.23549996       8.80684999       0.68774240       0.25672027       0.66824018
Li       9.88828000       6.53671996      10.94680003       0.12136233      -0.59371088      -0.23912578
Li       3.01152995       0.71731198       1.11701995      -0.61230237       0.36861597       0.10733064
Li       4.27377001       5.77349996       8.30019003      -0.65664938       0.03513228       0.29302228
Li       6.11280998      10.44949996       5.49431997      -2.31593917       0.82221384      -1.01653899
Li       4.66124995       8.23442003       0.34103700      -0.04129967       0.40188905       0.07641837
Li       9.12245004       2.25439003      11.31009997      -0.14786797      -0.82677296       0.19074821
Li       5.69764001       0.58431796       9.85964005       0.24928714      -0.43230926       0.55863000
Li       0.85958404       0.42011496       9.85082001      -0.48772857       0.54015388       0.26755524
Li       4.16852000       4.21402999       1.19512002      -1.31622162      -0.61392697       0.60989142
Li       4.33441995       3.10888004       8.37775001       0.51542628      -1.55467255      -1.70522150
Li       9.55230002       0.82059001       4.94045997      -0.50916683      -0.00880538       0.41077661
Li       9.38279995       8.32612005       4.07649004      -0.45899070       0.10954123       1.01645265
Li       0.07857526       2.95576999       1.95167996      -0.40287176       2.18506743       1.47479816
Li       6.12896005       0.98935201       2.36922005       0.04500302       0.47963384      -1.22673257
Li       9.52575000       4.45120003       7.75430997      -0.03636831       0.09781983       0.48627988
Li       0.03065365      10.42989994       1.46977000       0.14586037       0.35329144      -0.44361238
Li       1.60526002       4.42673996      10.16859999      -0.34739353       0.41088597       0.17547263
Li       2.03132002       9.14810997       6.72033004      -0.55993435      -0.46351392       0.26856831
Li       3.17906000       8.88249005       3.18037003       0.14614501       0.42423523       0.19099706
Li       6.95712004       6.97173000       2.19531999       0.42308628      -0.43355777      -0.67280511
Li       8.45376002      10.12340001      11.23310002      -1.32756801      -0.72401306       0.21333946
Li       1.37855996       8.46329005      10.50259999       0.84106562       0.11697148      -0.13355965
Li       5.83324995       7.25005005       5.17313005      -0.69117965      -0.40557272       0.05238487
Li       2.55780000       4.14429002       4.38614999       1.13823635      -0.57741987       0.26352837
Li       9.13924005       4.91609998       3.86587998       3.16470454      -4.40769167      -0.37775633
Li       0.98220495       2.04843000       6.91216000       0.28054451      -0.05437421      -0.04933481
Li       6.29508996       2.63477003       5.85377995       0.33696085      -0.16774722       0.16990691
Li       0.19494596       6.96083997       2.18467999      -0.19347395      -0.87508731      -0.22136002
Li       3.41271006       0.71796705       4.40842004       0.06173733      -0.07231308       0.11246912
Li      10.04620000       8.80521003       7.32314000      -2.97911207      -2.51417601       4.62963640
Li       6.49118006       4.36905996      10.56870004       0.77148822      -0.93219579      -2.42107041
Cl       4.00009001       2.56619999       6.22086999      -0.21281356      -0.09633413      -0.43201870
Cl       1.57229999       2.75858002       8.71583003      -0.53891708      -0.34507017       0.73668564
Cl       4.14596002       7.61971003       7.24128997      -0.29490007      -0.30082694      -2.14695147
Cl       4.98661997       7.71351994       2.56922003       0.40845829       1.02069974      -0.39553193
Cl       3.60345000       9.84028995       5.53735000       0.70186967       1.55945952      -1.87917432
Cl       5.91232001       5.07577000       0.77413698       1.08717220       1.52265851       2.65885829
Cl      10.03080004      11.31167103      10.81830001       1.23411651       0.41470911      -0.65366395
Cl       7.18768999       1.14772003       0.36190405      -0.25094082       0.29337632       0.19180976
Cl       9.85731005       3.87920995      10.26149999       0.08986278       0.34021379      -1.29458759
Cl       8.92457003       3.45101004       5.84053997      -0.56559991      -0.18518176      -0.28426794
Cl       1.34099003      10.56760005       8.23774994       0.20660562      -0.14007479       0.82396697
Cl       3.19216001       2.43976996       2.84135005       0.05160205       1.13778769      -0.55600850
Cl      10.02210002       4.86193997       1.63358001      -0.25002291      -0.14284670       0.62490166
Cl       9.87020003       6.62005003       8.40150996       0.21444119       0.67006977       0.03212828
Cl       7.72995995       9.94566996       6.34015995       1.71716437      -1.27603820       1.16943500
Cl       8.17560999       6.40103000       4.00317001      -3.14549580       4.48561221       0.90571150
Cl       2.70943001       9.91187005       1.00150002      -2.77535399      -1.73159965      -1.71234597
Cl       1.02382006       6.46587002      11.45824483      -0.42977885      -0.25446594       0.17196382
Cl       0.16431993       1.34082001       5.23949001      -0.07265827      -0.64513307      -1.38381539
Cl       3.68702999       7.42433004      10.04580001      -1.50080052       0.00528303       1.09672527
Cl       3.88636997       3.99039994      10.04549999      -0.30051659       0.83184272       2.38712597
Cl       6.17666005       6.02943004       9.09200997       2.10325122      -0.27468035      -0.38075464
Cl       6.43025004       2.00170996       8.51307999       0.15444332       0.73121208      -0.57605580
Cl      11.01305715       8.92294004       2.98408997       1.99904830       0.57213244       0.15235432
Cl       4.42457997      11.25860001       2.36352001       1.74060633      -0.23399693       1.64462488
Cl       6.86072000       0.80385400       4.23137005       0.98582484       0.45661449       1.49429591
Cl       3.97749002       5.72494999       4.37107996       0.44271494      -0.11346714       0.59646589
Cl       5.76178002       9.88930995      10.37989997       0.52319812      -0.02993008       0.08101241
Cl       0.64361099       1.33793995       0.99720298       0.84916752      -1.40125313      -0.93779003
Cl      10.84429996       9.50201998       5.95520994       2.92209506       1.87872207      -4.48616786
Cl       0.62222197       4.53843002       4.09412004      -1.52007380       0.57152159      -0.33747845
Cl       9.30289002       8.24530995       0.86275701      -1.41835246      -0.26532721      -1.04078223
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.30443958 stress="-0.024711417097217952 0.0007468781059871524 -0.003288298238535875 0.0007468781059871524 -0.0070927320574218685 -0.005622078473160055 -0.003288298238535875 -0.005622078473160055 -0.020016300571148615" free_energy=-223.30443958 pbc="T T T"
Li       8.20524997       4.34911005       4.17972003      -0.09994323      -0.47029184       0.79178663
Li       2.65751000       7.82429997       4.53961004       0.63404430       0.24695822      -0.10633955
Li       7.82027004       3.35200004       7.96032996      -0.95742314      -0.35933353      -0.43752482
Li      11.34439307       2.02052995       1.60491002      -0.25251083       0.35366141      -0.00196176
Li       8.68166005       4.24582995      11.43529999      -0.21890874       0.38346168      -0.01617752
Li       5.54742997       1.61719996       5.56283005      -3.14527909      -0.83069685       0.17683807
Li       5.22713002       0.04101587      10.22600004      -0.56757018       0.40729145      -0.16689530
Li      11.16420004       4.30789997       8.75501001       3.96110087      -0.44890267      -0.28583663
Li       3.43713998      10.28749994       2.48086001       0.48426866       0.54073131       0.04339599
Li      10.14270001       0.41639205      10.89739999       2.08743097       1.92969464       1.47521675
Li       9.20601994       0.56638496       5.01706005      -0.08883564       0.46906976      -0.28877515
Li      11.06690005       7.67256999       4.84236001       0.49795844      -1.15700148       0.18491585
Li       3.44557001       2.32440996       2.51710995       0.12969295      -0.20372910      -0.13858931
Li       1.59828997       5.21531001       0.22398303      -0.10980933       2.21400540      -0.61586103
Li       0.80539697       4.32389000       5.00753999       0.41475112      -0.08923824       0.45571443
Li       8.93377000       6.99122994       1.83051994       0.10074480      -0.74660272       0.90340435
Li       8.83841001       6.90913996       7.28739001       0.43159613       0.13700212       0.71135511
Li       6.19052002       6.12052005       5.74852995      -0.53817164      -0.11200430      -1.21883483
Li      10.71730004       7.00653006      10.57560005       0.11910837       0.03010948      -0.57121180
Li       8.16162999       9.14564996       4.30523005       0.35384254       0.26047866       0.39741552
Li       2.61124006       5.95214004       7.92404998       0.07814375      -0.10335256      -0.65415891
Li      10.27850002      10.45599998       7.98408005      -0.24490935       0.73679396      -0.20456276
Li       2.21228999       0.49890197       6.58673999       0.32674538      -0.01063619       0.36124060
Li       4.68677998       9.17469999       7.94281999       0.47016670       0.69944558      -0.98661431
Li       7.86426995       8.82022995       9.68960002       0.39739198       0.22917999      -0.00330849
Li       6.30817002       6.01386005      10.01969998      -0.44334612      -0.07837758      -1.37813677
Li       7.38622002       2.00442000       1.86820005       0.77895769       0.09790265      -0.00331118
Li       5.65947004       7.03625006       1.87239999      -0.55072414      -0.01723531      -0.09944666
Li       4.27368001       3.06418998       7.94787000      -0.60020054       0.17090151      -0.59359473
Li       1.60316997       9.29630000      11.06010002      -0.04591447      -0.01922186       0.36455750
Li       0.28641005      10.63599995       3.00132996      -1.76081081       1.30858810      -0.26882782
Li       1.79878005       1.36875995      10.21990001       1.96487412       4.48572082       4.35933646
Cl      10.03169998       8.46225998       8.53197003       0.20696040      -1.23687526      -0.10175455
Cl       8.47831995       6.45664001       5.27471000       1.29401354      -0.59530053      -0.91017288
Cl       8.96735003       4.53091003       2.23444998       0.39181720       0.10696453      -0.27803259
Cl       2.86609994       0.93472494       4.51187003      -0.15644671       0.21001022      -0.52004867
Cl       4.47073998       0.80864595       7.80453005       0.17432887      -0.53698593      -0.09213700
Cl       3.48200005       1.00177000       0.13021989       1.17299691      -0.84142834       0.20421588
Cl       7.32347005       2.11499001       5.24955003       4.12844701       1.55221276       1.22554035
Cl       9.33500995       4.43771999       8.95470000      -3.44402649       1.39011892      -0.39194394
Cl       5.69308996       1.75598000       3.03475005      -1.48814771      -0.21431565      -1.09311891
Cl      10.84880004       2.70397003       5.21746002      -0.31960616      -0.27872627       0.00290295
Cl       4.55096002       8.42475001       9.76342998       0.29075625      -0.23872449       1.59310511
Cl       1.47415005       6.45813003       5.77102998      -0.98445078      -0.07020509      -0.37001545
Cl       1.19899999       6.10813003       9.57385000      -0.17880368      -0.00585316      -0.20897066
Cl       3.91334003       8.20430004       1.91268994       0.29090136      -0.27402464      -0.53718847
Cl       8.72419001      11.08719997      10.02690000      -3.05008096      -1.28404747      -1.84180113
Cl       4.61782005       4.58433002       5.46155999       0.21881083      -0.04837660      -0.03713596
Cl       8.21666002      10.26650002       6.17945997      -1.49520732       0.74136329       1.46860003
Cl       2.02961001       3.74961005       7.39994998      -0.13249817      -0.58628712       0.50909225
Cl       0.30495902      11.38619997       0.70989402       1.12559221      -1.01578732       0.37177839
Cl       1.22681004       0.20541995       9.09938001      -2.68607426      -4.77142734      -5.10100832
Cl       3.52093997       9.08800997       6.28197999      -0.39806594      -0.06211810      -0.77062151
Cl       0.43906003       7.10318999       0.91134698       0.19483267       0.45105748       0.88540152
Cl       6.77226999       6.34610005       7.65972002      -0.52553288       0.49221766       2.59899180
Cl       6.54061002       5.71558998       0.53745600      -0.21689079      -1.44250654       0.27448353
Cl       1.69680998       9.35724996       3.28144004       0.41915353      -0.99977144       0.52830361
Cl       8.80573005       7.63564997      11.36890003      -0.37445184       0.69648367      -1.11803023
Cl       1.59905005       3.40736999       0.86669201       1.46828305      -1.78786600       1.87383448
Cl       7.20169005       7.81612995       2.99498001       0.07116911       0.67916559      -0.04539240
Cl      10.53240001       3.09303995      11.16750003      -0.50818143      -1.18149485      -0.32259064
Cl       5.79395006       3.39557004       9.38497002       0.93873488       0.36288421       0.42441094
Cl      10.47880003       9.59767999       4.76463999       0.48581408       0.94559211      -0.87881311
Cl       9.39310003       0.98711200       2.34915996      -0.52060829      -0.21032079       0.47290765
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.0250583 stress="-0.010860090051315273 0.0010998383056670302 0.00513581499890527 0.0010998383056670302 -0.010328448608704102 0.000893387028257403 0.00513581499890527 0.000893387028257403 -0.01882604436266157" free_energy=-225.0250583 pbc="T T T"
Li      10.79869999       5.25281001       9.03178994       0.55808364      -1.38276038       1.36986150
Li       6.60384997      10.03829997       5.58972996       0.51449638      -0.05680740      -0.00599521
Li       2.42470005       4.68215002       7.51069000       1.06176316      -0.80738275      -1.04732815
Li       5.63753004       9.80465003       9.58114999       0.14536233      -0.04397572       0.07391843
Li       3.32338004       5.38883003       3.30164996       0.77194700      -1.68659901       0.39043332
Li       8.97495004       1.42619003       3.76747002       0.51892396       2.11695917      -2.31042119
Li      10.30610005       7.51951004      11.15529997      -1.15330003      -1.45678488       0.54117061
Li       9.81148996       8.03918999       3.64776999      -0.95764753      -1.03067112       0.01460294
Li       6.10189999       3.14797002       2.40146001       0.69215226       1.20065911      -0.93439401
Li       1.44110999       8.58232998       1.46059996      -2.00438049       0.61884995       2.13830370
Li       3.95185004       0.84825103       0.16824805       0.11591191       0.33984319      -0.02417023
Li      11.31930005       4.07097996       1.02476001      -0.21362078      -0.17403398       0.24752524
Li       0.29759506       1.12617005       9.59231001       0.26594275       0.70019871       1.30366017
Li       7.50502000      10.06550000       1.10012997       0.24517274       0.68272003      -0.75667316
Li       2.05959002       8.89046999       9.47016005      -0.61196852       0.63689971       1.89589431
Li       6.83310003       6.18824998       0.17566304       0.00171051       0.21559604      -0.07894482
Li       7.29900998       6.59935001       7.15251998       0.04541405      -0.05034784      -0.26049312
Li       9.89364001       9.91583004       9.06508003      -1.32506234       0.95193172      -1.45642605
Li       6.29442997       6.87843002       3.83559995       0.40028736       0.47441396       0.51055274
Li       0.97250903       0.22926004       2.25387999       0.58111967      -0.35712610       0.10746550
Li      10.06129995       4.98419998       5.55112995       0.31598393      -0.65641301       0.28157800
Li       4.19139996       0.77947394       3.45898000       0.07945956      -0.42675387      -0.24525894
Li       5.52180994       3.09011003       5.80777002      -0.48437104      -0.10445851       0.14225893
Li       2.05037996       7.43899996       5.39373995       0.43591648       0.19683601       0.29345161
Li       8.61603003       1.15961996       7.90275004       0.04309291       0.74606146      -1.05395462
Li       3.25596996       0.36591896       7.61986996       0.06821391       0.27114308      -0.59233059
Li       4.28892005       6.97336000       7.70247995       0.23886369       0.17503533       1.52517893
Li       1.61747006       2.89971000       4.38463005       0.08536296       0.40980867       0.58819027
Li       2.87820003       5.85590004      10.92069999      -0.00979740       0.10424832      -0.33220618
Li       4.27633995       8.40795002       1.79726998       0.82343544       0.38767019      -0.23591783
Li      11.41920002      10.84890000       5.32198995      -0.70460025       0.48244212       0.46332751
Li       7.47736001       2.04505996      10.92519995      -0.13343563      -0.26243810       0.17740910
Cl       2.64018003       8.37809004       7.67884004      -0.07968958      -0.21722739      -2.21933585
Cl       6.61913999       9.13886999       2.65105000      -0.16185421      -0.42934833       3.37284707
Cl       9.36841996       5.96842998       0.90221500      -3.39021811      -0.31593240       1.00046664
Cl       1.77945999       5.26793999       5.51555996      -0.32005900      -0.18897953      -0.70161455
Cl       6.10797996       8.49901997       0.03942772       0.03475812       0.02219238      -1.87253702
Cl      10.87749994       9.74716996       3.44144000       1.42178335       0.27622090      -0.34470689
Cl       7.12560999       1.38039001       2.33995002       1.17136447      -1.49228542      -0.21936530
Cl       2.93594997      10.81399998       1.61123005       0.39021545      -0.03057508       0.65751854
Cl       5.78201001       5.73369002       2.12374998      -0.50154510      -0.55153928      -0.12936891
Cl      10.70100002       1.13037997       1.81106002      -2.35735087       0.24192505      -0.98816323
Cl       7.54833996      11.44739997       9.33614996      -0.57536949      -0.70485949       0.71096963
Cl       9.83029998       1.96820996       9.68621003      -0.24938377       1.22833893       0.42031882
Cl       0.32683596       6.09987999       0.00527632       2.76770935      -0.49590461       0.76495371
Cl       5.26956001       2.81172005       0.37803303      -0.29660533      -0.24898263      -1.32121631
Cl       6.56101002       8.60307001       7.88919995       0.29889099       0.18034879      -0.35367236
Cl      10.89150001       2.96244002       4.67423004      -0.40029821       0.18373492       0.30387706
Cl      11.06609996       9.13200002      10.40679999       1.86166262       1.48803601       0.66644895
Cl       3.62548996      11.12640001       9.65462995       0.10416513      -0.16789772       0.35973085
Cl       5.04596998       6.61011004       5.87389002       0.76981102      -0.74513455      -1.77356800
Cl       2.72275999       8.16056003       0.17066002       2.16806469      -1.07656466      -3.18492284
Cl       3.50900003       2.64476001       7.09237000      -0.04140201      -0.25655918      -0.10783847
Cl       4.60362004       2.91537995       3.68135998      -1.37881861       0.74855231       1.77682838
Cl       7.61514002       3.04076995       6.27648000       0.40481470       0.36526985       0.51179832
Cl      10.36829996       6.69819996       7.82240997      -0.97245619       1.36109426      -1.19874472
Cl       1.52288998       5.04858005       9.21676003      -0.14330504      -0.75436099       0.27991095
Cl       1.81015996       2.27691998       2.34215001       1.07166619       1.10850927      -0.43327246
Cl       0.47211900       0.08871989       7.92140999       0.18449705      -1.31377790      -2.03373110
Cl       8.78516003       0.17545897       5.14861002      -0.14443395      -2.86822424       3.07836517
Cl       4.78997994       5.62989002       9.54804000       0.32669592       0.18345576       0.02727099
Cl       4.69459002      10.97300003       5.26065995      -0.77375138       0.20624356       0.29745280
Cl       2.83486001       7.32792003       3.15058995      -0.90531717       1.59750062       0.36643007
Cl       8.72599002       6.59562997       4.98734005      -0.69467365       0.45196673      -0.44339865
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.23674198 stress="-0.017046200228763193 -0.00133174059732229 0.005572243524276497 -0.00133174059732229 -0.01633793714136813 -9.468369343964903e-05 0.005572243524276497 -9.468369343964903e-05 -0.010962156582481073" free_energy=-224.23674198 pbc="T T T"
Li       3.94685001       2.03676005       9.93009998      -0.38549534       0.37876033       0.91059543
Li       0.00771626       4.95117999      10.76599996      -0.45255389      -0.43633045      -0.07479540
Li       9.28264994       3.35796995       8.16335995      -0.24941130      -0.28184060       0.23021261
Li       8.37020996       2.28571996       4.10635999       0.66551601       0.27682943       0.24347175
Li       2.92468998       4.78631000       4.81532999       0.40682876      -0.38389570       0.80337560
Li       6.26121004       5.22354996      10.43950002       0.70640965      -0.23793375      -0.52670805
Li       3.14445003       2.18807995       1.88483002      -0.90759566      -0.10080878       0.57698548
Li       0.34292597       7.12604999       6.58597005       0.61979652      -0.04124206      -0.01185963
Li       4.16175998       8.26013005       4.29800997      -0.55397331      -0.08174168       0.35124290
Li       8.31572000       2.09249995       0.61251894      -1.26309748       1.78553361       1.74447356
Li       6.26544999       5.19232000       6.84134996       3.26778986      -4.50013743       0.54362598
Li       3.88069997       7.11193998       9.24603005      -0.03429549       0.28610147      -0.79158049
Li       6.84937002      10.60249995      11.12200002      -0.46619542      -0.31409095       0.02514569
Li      10.68460002      10.44930003       7.83185997       0.51441670      -0.05808614       0.18470304
Li       1.17269004       3.75723999       7.13461002       0.37174716      -0.46325643      -0.22661865
Li       3.12032001      10.38920003       8.53029005      -0.43314530       0.02718671      -0.72431762
Li       9.45435001       6.80273998       8.55201005       1.37402135      -0.61766958      -1.95679239
Li      10.87140003       1.35498998      10.94600005       0.04881332       0.06619871       0.12035385
Li       0.80823805       0.08444187       5.39333996       0.38205725       0.51835526       0.40246442
Li       6.05832002       4.66189997       3.22737999       1.33884564      -0.93189173      -0.02211581
Li       3.00644004       9.15674005       0.24915400      -1.19544967       0.09691824      -3.40329841
Li       5.31782005      10.96259998       3.10181001       0.20540081      -0.04220641      -0.72616191
Li       7.54044004       9.62590998       5.20842995       0.34586019       0.80780463       0.55757082
Li       4.67471004       1.83401002       6.13768998       0.91536683      -1.70518583      -1.01610731
Li       9.18564998       4.87643999       1.59721004      -2.31124277      -1.62426054       0.49802534
Li       9.76483997      10.81130003       2.36268002       0.13236600      -0.72717686      -0.12206542
Li       0.01913285       3.48175001       3.60884004      -0.19814291      -0.18494720       0.13708552
Li       2.74290995       5.55120997       1.08183997       0.24344367      -0.34809090       0.41679377
Li      10.66469998       7.62561001       2.39353005       0.21262124       2.21468238       0.63019283
Li       0.05728712       8.76362003      10.72599994      -0.23581111      -1.09350259      -1.45300915
Li       6.87285002       0.99782503       8.58771005       0.73197231       0.15927763      -0.03661017
Li       5.88159001       7.41116996       1.47083997       0.20124517       0.28476489       0.40842992
Cl       4.23561000       5.57313002       3.25350995      -1.38247463       0.87836521      -0.82878040
Cl       7.01099000       4.76437000       0.99018099      -0.54353925       0.43738936       1.23417875
Cl       5.86421004      11.17960000       5.22141004      -0.30403127       0.61758459       0.44081530
Cl       6.52378997       2.91962002       4.70691000      -0.98570528       0.64028673       0.21142626
Cl       1.19658997      10.30690002       9.75858002       0.36765392       1.24611239      -0.26884029
Cl       7.32538998       9.95541999       1.74111002      -0.07523302      -0.57044817       0.02242626
Cl       8.05844998       6.53837999       9.69185997      -2.98835191      -0.07528494       2.24008483
Cl       9.61588997       3.49392003      11.31659999       1.58957578       0.23453113      -1.25301455
Cl      10.76559997       5.88454997       1.57075999       2.25497392       0.03955578      -0.33672277
Cl       2.29866004       8.67595004       6.86947998       0.22823072       0.06935419      -0.41027213
Cl       0.43906806       1.58919994       7.29481004      -0.24487132      -0.51748429       0.35634627
Cl       8.58145995       0.45104903      11.19529999       0.84746686      -2.12623925      -2.28955778
Cl       9.45209006       1.43213999       2.52081004       0.49888195       0.48152388       0.04445164
Cl       7.10002997       3.47286004       8.97455005      -0.00088621      -0.42084279      -0.56809772
Cl       1.44422002       6.50448000      11.16050005      -0.07863918       1.51759363      -0.95051137
Cl       9.50487997       4.43821995       4.13361998      -0.90409960      -0.17259382      -0.08405062
Cl      11.02859996       7.98950002       8.51834003       0.55577708       1.26089460      -0.31335178
Cl       1.85960998       2.74553000       0.17031988      -0.27604123       0.21423190      -0.42908817
Cl       0.19951986       9.45475997       1.09805001      -0.80213584       0.46677808       2.46766141
Cl       4.75820004       1.07362995       8.22597005      -0.51385553      -0.79687336       0.06173935
Cl      10.88869997       4.81528998       8.02277004      -0.23107995       0.31006346       0.81471132
Cl       8.60004000      11.02229999       8.04108996      -0.44192591       0.01594036      -0.42415224
Cl       1.47861997       1.74863002       4.13022002       0.78044405       0.55750605      -0.95933623
Cl       5.09916997       6.48031994       6.70299994      -3.45064493       4.74855315       0.09882478
Cl       4.07870998       3.60875005       6.66185005      -1.87797801       1.97864801       0.28773609
Cl       6.27876002       8.36702999       4.15854001       0.15743666      -1.72208359      -0.78476113
Cl       3.49262996       9.34036996       2.01677999       1.44973874      -0.08203950       3.72289302
Cl      10.79909997      10.32300000       4.54534000      -0.99443320      -1.03515961      -0.07371823
Cl       0.80124599       5.02695005       5.25795999       0.66907825       0.81544104      -0.26245891
Cl       4.61804004       9.96237995       9.99054998       0.66370713      -1.15142800       1.04097389
Cl       4.12939998       5.54676000      10.79310003       1.08647169      -0.14977276      -0.21129001
Cl       4.96651002       1.45571996       1.29845995       0.94838075      -0.43822117      -0.28897295
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.56465772 stress="-0.013374824942396264 -0.0011987046902738078 -0.00457776965085022 -0.0011987046902738078 -0.009449158971275386 -0.0018470888612282515 -0.00457776965085022 -0.0018470888612282515 -0.01572332434698825" free_energy=-222.56465772 pbc="T T T"
Li       0.76106896       1.13442995       4.54037998       0.21539952      -0.36097152       1.45709839
Li       5.35846998       4.50197006       7.98550001       0.21744316       0.34657171      -0.95906275
Li       1.84118998       4.11805000       0.05312100       0.35353204       0.63109561      -0.38375617
Li       9.46619995       8.30428003       4.41092006      -0.62857209      -0.79968273      -3.08930382
Li       0.60711996       9.44103001       6.16164001       0.10941975      -0.96503144       0.06079955
Li       3.52408003       6.82454997       4.41770003       0.74614574       0.16799520      -0.18675506
Li       5.47988003       1.12455004       5.51356002      -0.43462530       0.38189067      -0.32275232
Li       7.99017996       3.05086998       6.15008998       0.21801380       0.15040115       0.18770464
Li      10.77520005       2.43706004       9.53525997      -0.41188939      -1.18289531       0.27394542
Li      10.42710002       4.45748005       2.77521996       0.07576149       0.41731064      -0.26308304
Li       2.87149996       3.49823003       6.33437003      -0.28467900       3.33361760      -0.96755960
Li       8.79796999       1.12698998       2.07748003       0.43566107       0.16504547      -0.41310010
Li       1.36034001       8.31137997       2.14027000       0.04572431       0.01761130       0.52038717
Li       5.99440999       8.99860005       6.09669005      -0.10790078      -0.09019324       0.46119300
Li       6.75679997       4.70937000      10.69779999       1.29444732       0.59403505      -0.45147625
Li       0.07822032       0.23160505       1.09335997       0.40352553      -0.09243911      -0.02705698
Li       2.37771003       0.28270903       7.81430002       0.99007654      -0.33595428      -0.13490978
Li       0.98340102       5.98217003       7.63911997      -0.30149028       0.30260724       0.03565503
Li       6.57460000       1.48441000       9.42015000      -0.90635194      -0.16231226       0.12215874
Li       4.03131997      11.04080002       0.39812602      -0.05396277       0.36437139      -0.00503686
Li       6.46473001       4.69380999       3.57781002      -0.10776769      -0.60811579       0.47968442
Li       1.16330996       9.18552995       9.90881001       0.00524060       0.94233607       1.46022767
Li       5.49531003      10.45599998       3.26554997      -0.02901367      -0.54424971       0.13213509
Li       9.47377004       8.84057997       0.67229095      -1.78695964      -1.54088896      -1.35156250
Li       8.63697997       7.59003004       8.19649000       0.72560732       0.28291764      -1.81566870
Li       5.07729005       2.84874004       1.30106005       0.05931223       0.35591031       0.64584958
Li       6.29745998       9.33429997      10.54019996      -0.20476614      -0.04644779      -1.11921772
Li       6.22720996       6.90190004       1.92519999       0.18235557      -1.14254479       0.37143637
Li       3.78695001       6.38911002       9.22179995      -0.24348340       0.59493751       0.45166234
Li       9.88274998      10.86169999       8.64691996      -0.26909542       0.26992747      -0.03691168
Li       9.01858997      11.03160005       5.74881003      -2.26288398      -0.89682205      -0.36848717
Li      10.32639996       5.34501997      10.60569998       0.48944956       0.63103458      -0.37501221
Cl       6.75279997       7.23078995       8.72358997      -3.00286912      -1.49715157       0.76511545
Cl       9.45839002       3.46038002       4.37981001       0.05778819      -0.88310635       0.06065830
Cl       7.11127999       5.02082996       5.61320995      -0.29854835       1.22247850       0.63462177
Cl       7.94627005       9.64593005       7.68312000      -1.50539496       2.48405905       1.13596624
Cl       9.59549994       7.50488999       9.94964004       1.49690003      -0.15409775       1.95620459
Cl       3.07850004       1.70039005       6.35368000      -0.46643670      -4.65284654      -0.37470954
Cl       2.51459996      11.33790004       1.99431000       0.97957682      -0.95849176      -0.49411922
Cl       4.40135002       3.66061995       4.34383006      -0.08760793       0.35036519      -1.05535247
Cl       6.90911004       0.88102901       3.15489995      -0.60242961       0.28521643       0.92068586
Cl       1.71738997       6.27229003      10.61409997       0.27068628       0.19576293       0.59855068
Cl       6.69036997       4.59471998       1.29306005       0.20836891       0.06479129       1.30277997
Cl       7.41665000       9.50913001       4.46954999      -0.31558225       0.03011174      -0.57930467
Cl       4.86649003       4.60510994      10.09720000      -1.26904533      -0.70175196       0.50362956
Cl      10.74589998       9.63760997       1.88984003       2.05756098       1.26635419       1.43857795
Cl      11.28319995       3.54519999       0.00321986      -0.67432406       0.12387245       0.97058521
Cl      11.41943263       3.96796997       8.31115997      -0.07604259       0.95604111      -0.94520167
Cl       3.67163999       9.44257998       5.21522999       1.05513045       0.55089180       0.29392100
Cl       6.97459000       8.39384999       0.86551405       1.17631210       1.72825854      -0.87537939
Cl      10.83149998      11.28719995       6.39277996       2.29437284       1.60712003      -0.54391750
Cl       6.00381001       1.29988003       0.20191991      -0.10428600      -0.52822649      -0.78581711
Cl       4.34230003       7.66729998       2.33906005      -1.28928847      -0.03222114       0.43021884
Cl       0.42258597       1.75870001       2.67087999      -1.03971140       1.19535809      -0.63101212
Cl       0.77313798       0.08788299       9.03824995      -0.81224632      -0.05171370       1.61010242
Cl       5.87302000       2.49021005       7.22675005       0.09495485      -0.27747705       0.39116245
Cl       1.27073004       8.36939003       8.16273996       0.31169548      -0.98283904      -2.11044400
Cl       3.05187000       5.07305996       7.65560997       0.31800702       0.66754961      -0.36064329
Cl       9.63943003       6.80004003       2.33264005       0.09562479      -0.82885990       0.14081909
Cl       8.39475005       1.45391995       8.45998994       1.70257119       0.22457999      -0.56552856
Cl       1.51887003       7.07798003       4.82565002      -1.30229477      -0.11014845      -0.27953869
Cl       9.81825996       8.48783003       6.23739001       2.40239121      -1.54176305       1.47405350
Cl       9.84182995       0.71974906      11.17129998      -0.55351266      -0.47204943       0.68784024
Cl       4.06202005      10.58050000       9.72068002       0.34400535      -0.46113438      -0.10374957
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.87177812 stress="-0.016233548238279227 -0.0016056738043746146 0.0004311031387133321 -0.0016056738043746146 -0.019168741530297084 0.0008424337070441417 0.0004311031387133321 0.0008424337070441417 -0.014796572913517329" free_energy=-222.87177812 pbc="T T T"
Li       6.31106005       4.07663002       5.03188003      -0.35938386      -1.79346936       0.45511387
Li       2.31999002      11.22000001       2.37964005      -1.12874326       0.24570960       0.28051743
Li       7.47104996       7.39031002       5.63177004       0.80733490       0.36025455      -0.23879369
Li       7.64523995       1.55194000       1.53465003       0.13825795      -0.01772841       0.33354603
Li       9.52602996       1.78808996       8.30265004      -3.52529418      -4.22836207      -0.71983362
Li       4.23798001       7.20044996      10.71040004      -0.26448044      -0.19603881      -0.38767771
Li       8.47997000       8.57876000       0.42868704      -0.10103432      -0.66996725      -0.60238859
Li       1.70722998       6.03946002       1.43424002       0.57795606       0.66469945       0.15012675
Li       1.73593000       3.60126995       4.29966999       0.05305278       0.03414206      -0.27952419
Li       5.52410005       5.54325995       8.24407995      -1.02210388      -0.11770972       0.29019759
Li       6.85493994       0.03721993      10.55200003      -0.30769326      -0.17081071      -0.36332735
Li      10.62990004       0.81703001       0.27284597       0.21532340       0.33669981      -0.22438704
Li       3.78638998       6.48086003       4.57713996       1.37309964       0.82469336       0.37471616
Li       3.99003997       2.08264996       0.81288200      -3.03055630       0.17371458       0.57929078
Li       0.67030797       8.73065999       9.44904996       0.42331029       0.39526393       0.16536952
Li       6.85605003      11.31999995       7.07739994       0.72672406       0.28463451      -0.12242565
Li       5.74500996       9.51402996       2.16687000       1.20915297       1.88283887      -0.09934616
Li       3.58828000       2.44779003       6.68738995       0.53794400       0.00254584      -0.18256240
Li       7.29271001       4.24382003      11.03909998      -0.82070564       0.32469398      -0.45951459
Li       4.49834998       9.23724005       7.83065003       0.10719968      -0.86952550      -0.57847110
Li       5.64377005       6.05934997       2.09951002       1.31866365      -3.86298083      -0.73885377
Li       1.28942003      11.39740000       5.84097997      -1.13483784      -0.67520669      -0.84632125
Li       0.57191797       6.67713996       4.98139994      -1.24302003       1.17972023       0.94178471
Li       9.92749002       9.71282000       2.62625001       0.25537339       0.05577411       0.29475448
Li       9.96722006       9.39500998       6.14976004       0.30941288       1.38690390       2.43571367
Li       2.93713996       0.18424898       9.39237996       0.01873820      -0.39365878       0.68389946
Li       9.60338003       5.21488996       8.12314005       0.70654323      -0.00310512      -0.17400524
Li       9.59869000       2.19027995       4.39146999      -0.30066446      -0.86772644      -0.17009870
Li       0.92186798       3.23117994       9.94904000       0.02235715       0.67153556       0.02292999
Li       9.92845004       5.52927995       2.59877999      -0.71602698       1.17563319      -1.24976629
Li       7.65110003       7.84671000       8.62097996      -1.04515523       0.18408600       0.65465065
Li       4.85871002      11.42866252       4.52860995      -5.19401396       3.79784857      -2.45509805
Cl       3.05357004       9.20695004       9.40885000      -1.00519870      -0.00270270       1.03230470
Cl       9.29621001       7.40834998       7.45025995       1.71370494      -0.26546752      -0.07294694
Cl      10.76779997       0.51024599       2.38541002      -0.04769473      -0.15945829       0.93993774
Cl      10.69190001       3.10133998       8.42604994       3.37481631       3.96443793       0.07890653
Cl       1.98614995       6.32975004       3.61153002      -0.41655123      -0.39784882      -1.88148818
Cl       6.19663003      10.55809994       5.12269995       5.11681192      -4.13438351       1.50122762
Cl       2.60910002       0.47498404       7.28172998      -0.77730280       1.17725664       0.51982630
Cl       9.95234997       0.05191679       5.88437995       0.13054192       1.43175877       0.15825324
Cl       8.29269996      10.14370004       8.73843002      -0.15718389       0.73386009       0.37631384
Cl       5.81213000       2.04819005       0.40059301       2.58266942      -0.26917756      -2.26864972
Cl       6.80990000       5.85489004       4.21414004       0.61465367       0.50505638      -1.10924563
Cl      10.15330000       7.47471005       1.57314995      -0.11668400       0.33247355      -0.59351231
Cl       6.64709002       2.40542000       3.29779005       0.34902469       0.17933773       0.89514300
Cl      10.51490001       4.11532999       3.80779999       1.10784656      -1.14686387       1.62788761
Cl       5.04657002       7.74096004       2.37863004      -2.40264086       2.09211406       1.10998031
Cl       3.29346996       6.16850998       8.71682994      -0.05546243      -0.65089519       0.20170188
Cl       3.48853996       4.62507006       5.59245994       0.12318324      -1.51800684       0.64397765
Cl       5.74899001       7.19384997       6.87593001      -0.56303065       1.37832914       0.03233773
Cl       4.26197005      10.96839999       1.66063995      -0.02093553       0.35790094      -0.08287267
Cl       1.04667994       4.50963003       0.33947705      -1.38648204       1.04106700      -0.27529336
Cl       2.33128004       1.26117995       4.30432999       0.29826000       0.48299833      -0.72384488
Cl       8.85165996       2.99766998       0.26501988       1.18744271      -0.39862247      -0.08187431
Cl       7.93763997      10.58939995       1.04156997      -0.38666796       0.14348532       0.27195500
Cl       6.37087000       2.20085999       6.66719000      -0.01891880       0.76515274       0.12323078
Cl       1.74735003       1.91970998      11.37430005       1.24829336      -2.47444326      -0.15423438
Cl       6.51015997       7.30807994      10.66750001       0.77612018       0.79400077       0.41742694
Cl       5.10513999      11.21850003       8.23246995       1.02859113       0.36831847       1.80530949
Cl       9.85961002       8.20414997       4.71545994      -0.56231526      -1.90765032      -3.42517091
Cl       0.05645459      10.44530002      10.86310001      -0.15779854      -0.60685192      -0.45319896
Cl       4.35493000       5.16911996       0.43072401       0.07720052      -0.32197349       0.46067819
Cl       7.61562003       5.26481002       8.61534997      -0.49373632      -1.62162270       0.90694684
Cl       1.44441996       9.15456998       5.26385997       0.23271260       0.01331817       0.24877115
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.69549311 stress="-0.019188939234832208 0.002904259405356067 -0.0024241264661949064 0.002904259405356067 -0.02220199507232755 -0.005702802444737808 -0.0024241264661949064 -0.005702802444737808 -0.018302774612550383" free_energy=-221.69549311 pbc="T T T"
Li       1.87959004       3.07995004       2.52103004      -1.13147460      -0.14984032       0.61721115
Li      10.16979996       9.90135994       4.93749003       0.03112558      -0.18480445       0.42246211
Li       9.88955999       3.03099000       8.55387999       0.35213993      -0.10577206       0.00530181
Li       7.53749005       1.12759999       3.03318999      -0.22504166      -0.15497979      -1.39303524
Li       9.29941003       6.66267995       6.06856003      -1.99071620      -0.77698429      -1.07439818
Li       5.00152996      10.21749996       7.43092005       0.70292464       1.59928293       0.14313376
Li      10.07050003      11.12909996       8.29596006      -0.02872771      -0.12098528       0.20747104
Li       8.50743005       6.23089997       2.45275005      -1.07067779      -1.52394446      -1.87324290
Li      11.16299996       9.03889000      10.70549997      -2.07492612       2.34900033      -0.89202766
Li       4.63114005       4.36184996       0.77645597       0.33394311      -0.18840266      -0.23327577
Li       7.45583996       8.71644004       4.01684001      -0.90198799       0.09280340      -0.71995071
Li       4.59153004       5.86084998       6.30615999       0.00258916      -0.05768970      -0.21064006
Li       1.51817002       0.68282295       5.93791997      -0.67516397       0.06703111       0.04405020
Li       1.48417006       9.93364003       2.56707999      -0.95983360       3.03907009      -1.55726726
Li      11.35770000       1.04174996       0.49624501       0.56476220       2.36620681      -0.64745423
Li       1.74651004       8.66241004       6.37205999       0.03883763      -1.50581989       1.47026032
Li       6.48318005       1.65331003       6.96633996       0.98392702       0.72871929      -0.38365972
Li       7.94334001       6.54581996       9.95995996       1.35516784       0.60921402      -1.22498640
Li       1.28688000       6.67038005       1.97077005       0.39578663       0.40981348      -0.40028454
Li       1.10487997       4.74348999      11.06800005       0.35979804      -0.03104066      -0.51993527
Li       2.75221998      10.89679995      10.16429997      -0.37581974       0.11103068       0.46499733
Li       7.24976998       2.87105997      11.29980000       0.28177362      -0.68299446      -1.29278407
Li       4.04215005       9.24667996       4.20587006      -0.04685229      -0.47224340      -0.18381883
Li       9.83722005       2.04312995       5.15552000       4.28919408       1.63900047       0.09270997
Li      11.36170000       6.72211995       8.46414999       0.05969763      -0.05881327       1.55480729
Li       3.73388003       1.00704999       4.52920001      -1.37019685       2.01208474      -0.82645096
Li       6.03335002       4.29492997       3.78511997       0.05014963       0.03886876      -0.73774280
Li       3.71989005       3.02363004       8.35512996       0.12633079      -0.52503901       0.49709313
Li       1.11388000       4.28679996       5.89197997      -0.04341938       0.73965453       0.51263867
Li       4.23750001       7.61616000       9.31618996      -0.18077156      -0.46301896       0.34070970
Li       8.40407005      10.95630002       0.15583602      -0.59717895      -1.45514219      -0.58695033
Li       5.78245998       8.37328995       0.64254699       0.16784853       0.17215210       0.26747196
Cl       1.06631000      11.04400004       0.61571003       2.20788474      -2.50081440      -0.62432586
Cl       5.03294002      11.05729998       4.95729996       1.30321385      -2.09140454      -1.00344615
Cl      10.98250002       7.37900004       6.59775005       2.23389835       0.03941806      -1.26852836
Cl      10.88560003       1.06297997       6.77951002       0.11115767      -0.46919393       0.76070777
Cl       7.40747995       3.71846000       1.65639003      -0.08081417       0.46585368       2.02399309
Cl       8.97697005       8.70221000      11.00409999       0.00475329       0.60450750      -0.39512941
Cl       6.99477000       9.96570001       1.85159003      -0.27472519       0.39532763       0.70346187
Cl       2.89455005       4.79390004       7.45555002      -0.63429183       1.89656588       0.45269034
Cl       6.69863996       6.52748995      11.41209996      -1.94182939      -0.48543883       1.65091300
Cl       8.69636999       1.23443998       9.55449004      -0.39339472       0.09117928      -1.22156981
Cl       0.52704506       4.64522002       1.65640000      -1.38487016      -0.76797901       0.98669356
Cl       5.82755003       6.55986004       3.65182995      -0.12907062       0.58221510       0.12949374
Cl       9.16832000       7.46360999       3.78278997       1.92692456       0.48744349       0.42691794
Cl       3.04378001       5.83667995       0.50644695       1.14039868       0.08786343      -0.49008379
Cl      10.45920001       3.98184002       5.69475996      -0.78902119       1.43822922       0.30912592
Cl       9.82762995       5.55050997       9.81403996       0.78346974      -1.03070603      -0.68804391
Cl       5.35497005       3.83631005       5.74144996       0.83190530      -0.56913308       0.39878257
Cl       4.71864002       9.45892999      10.41339998      -0.46331476       0.66063562      -0.29832593
Cl       0.12579697       9.34259999       8.49323005       0.71099240       1.17197445       0.68090633
Cl       4.60403001       0.93262297       7.36887995      -1.40376228       0.17523447       1.83378628
Cl       2.19949998       2.66576004       5.35636995       1.75163266       0.34910783       0.67028657
Cl       9.47848003       1.03209004       0.88979196      -1.61479693       1.01018744       2.24524280
Cl       0.87718102       7.77179001      11.32520003       1.96394481      -2.44057014       1.09387477
Cl       5.75790005       3.49683001       9.82317997      -0.46259999       0.04132323      -0.22662052
Cl       3.81483997       2.64765004       2.15547003       1.84785545      -0.29406294      -0.16247898
Cl       1.13529000       1.00498998       3.56540005      -0.88050350      -0.93393034      -1.97209613
Cl       1.91177005       8.39289994       3.53278005       2.41184294      -5.47943841      -1.02294795
Cl       8.12949000       9.07961995       5.99279994      -0.08985124       0.84602458       1.36439495
Cl       1.44326998       2.34570004       9.67332005      -0.04080462       0.16845001       0.24256035
Cl       4.55515996       8.32175996       7.11628002      -0.94254962      -2.15730655      -0.54002537
Cl       1.12299995      10.05120003       5.16880997      -1.61320672       3.19872245       1.82849777
Cl       8.24160997       1.28695005       4.95446003      -4.51367515      -2.00670305       0.22887899
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.24525111 stress="-0.007311032471657947 -0.008570929678866027 0.0042211242457296004 -0.008570929678866027 -0.016749826886501527 -0.005828383767912737 0.0042211242457296004 -0.005828383767912737 -0.00986113207176316" free_energy=-225.24525111 pbc="T T T"
Li       2.39684999       8.46106999       4.43213998       0.13116829      -0.12846359       0.13526979
Li       8.52131994       7.67072998       8.86074002       0.05247314      -0.28334088       0.65238304
Li       6.05701997       8.12997000       3.20800995       0.06520549       0.15222922      -0.04784448
Li       8.69192001       3.74027996       3.69439005      -0.61586673      -0.97135427      -1.56200831
Li       0.41647001       8.26093003       9.73668003      -0.12127311       0.14247778       0.02056253
Li       7.31865998       5.74924005       5.74715000       0.61093587       0.32855938       0.21675521
Li       8.77488999      11.24880000       9.36422002      -0.15043350       0.21873543       0.96916611
Li       5.52920005       9.46658996       5.46327000      -0.12296368       1.25943035       0.34115155
Li       6.96140000       9.97815996       0.61649499      -0.51788358      -2.72527005      -0.68914896
Li       0.22871904       0.57829795       3.34508995       0.09016568       0.06031320       0.55198467
Li       2.65109001       8.43648003       1.31236005      -0.02773006      -0.28159921       0.26864400
Li      11.17040003       5.64040998       0.78732698      -0.23270613      -0.20862205      -0.41412575
Li       6.92979000       3.34461005       9.95876996       1.23819833       0.89262122      -0.64495650
Li       4.82076004       7.06357001       7.75816001       0.06920201      -0.21960485       0.81904737
Li       3.42540996       5.56965004       4.42985996       0.31436790      -0.54953324       0.44692581
Li      10.99780002       3.18583000       9.58193002      -0.14768615       0.39160256      -0.54114464
Li       1.73134005       3.10533001       1.36223999       1.27858367      -0.27717093       0.98571887
Li       3.59708996      11.31610003       8.16974005       0.02193328       0.09826875      -0.32466841
Li       2.02810005       0.21427702      11.30029996      -1.99073170      -1.85421528      -3.02412772
Li      10.35170002       8.32171995       2.66001999       0.04681249      -2.61363944      -1.52001716
Li       8.85187996       1.79896004       1.23371004       0.81031591       1.34512741       0.12320233
Li       0.25169804       3.34305997       5.50297000       0.09496270       0.05414366      -0.06401799
Li       2.98973005       3.51506005       8.12298998      -0.82676983       0.35810754       1.25460972
Li       4.54336000       5.42067997       0.60203199       0.08174044      -0.96824924      -0.11216706
Li      11.29549998       6.32677001       6.28425003      -0.02330960      -1.73646651      -0.10003621
Li       7.97746000       6.14225999       0.47535502       0.52908474      -0.25680207      -0.64261507
Li       8.21276997      11.34010004       3.43220002       0.59232211       0.76823420      -0.53131204
Li       9.82914002       9.16515999       5.56522999       0.11401184       0.27150527       0.54170658
Li       5.39525002       2.51713998       4.87313002      -0.32392017       0.34565429       0.17719232
Li       8.80025998       2.77770003       7.06977998       0.36049032      -0.03336298      -1.11726217
Li       4.92774000       1.60127997       1.29735996       0.88595061       0.56067252       0.02231766
Li       0.16340096       0.16558100       7.99821000       0.36856107       0.13432922      -0.34441739
Cl       9.86050996       5.77832997       9.96175996      -0.25336067       0.91266094       0.14073569
Cl       8.92294004       2.48534999       9.11833998      -0.54399351      -0.38433624       0.85947826
Cl      10.93220004       1.24441997       5.48803996      -0.05811740       0.10419991       0.30680286
Cl       8.62275005       9.29990002      10.58740001      -0.34321192      -0.58509143      -0.10142771
Cl       0.62885703       3.70510996      11.29750004       0.85583989       0.73152897      -1.09798290
Cl      11.38649564       0.20946696      10.23089999       0.03061026       0.51121664       0.55559398
Cl       7.21130996       3.62071004       5.76390997      -2.37546878      -0.57092033       1.32504108
Cl       3.96865003       4.22902997       6.53117996       1.70273880       2.69185569      -1.84674320
Cl       4.82904001       7.39566005       1.37775998       0.28712197      -0.04261680      -0.44457920
Cl       2.81018005       1.83920001       6.96165004      -0.83237280      -3.31948685       0.26030879
Cl       0.79378205       8.05519000       5.97520995       1.25916599       2.04353992      -0.24961941
Cl       7.44245999       9.81608003       4.49803999      -0.32915210      -1.40755506       0.49702350
Cl       2.88167004       1.14834002       1.17165997       0.67964321       0.35720800       2.23620380
Cl       4.16131998       9.74882999       3.18830996      -0.46146443       0.38434108       0.22024621
Cl       2.38516996       9.71711005       9.36197004      -0.03239288      -0.20599919       0.35425960
Cl       7.56516001       0.28894102       0.82163796      -0.11969251       1.59969651       0.09931820
Cl      10.53230004      10.04400001       3.39365998       0.33299498       2.72202728       0.84210087
Cl       9.61734995      10.98390004       7.53008997      -0.44541371      -1.12513399      -1.12194909
Cl       0.29003803       7.91916001       0.61132299       0.54712454       0.23600465       0.13158387
Cl       8.50150004       7.10752005       2.44115003      -0.70899296       0.05401891       0.23487510
Cl       6.20635002       5.92371997       9.60902000      -0.10914086       0.19522185      -0.00021227
Cl       5.20191996       2.62163002      10.63140003      -1.24143407      -0.45598804       0.39376920
Cl       4.55719005       7.64663997       5.70305001      -0.15323086      -1.47527545      -0.84216647
Cl       7.18543003       1.84338000       3.54327995       0.15500596      -0.45123437      -0.90904692
Cl       4.24226995       3.61610003       2.45526004       0.21202808       0.91591468       0.29781814
Cl       5.45066996      10.12239998       7.63026003       0.20917426       0.09557026       0.20398526
Cl       9.39258001       4.02414001       1.01007003      -1.58322029      -0.32095619       1.08108730
Cl       9.53124002       4.72109005       5.16959000       3.11147566       1.78688528       0.71518861
Cl       9.62303004       7.30937002       6.99988994      -2.19788383       0.71074492       0.22990592
Cl       0.67162396       4.63389996       7.58486997       0.10689264      -0.58259206       0.07616692
Cl       0.42571205       2.70454004       2.97114003      -0.32126956       0.41390700       0.35307871
Cl       1.76328997       6.44847997       3.36895995      -0.03521479       0.18632612      -0.64761235
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.05530306 stress="-0.004690262285969315 -0.0016853893602889354 -0.0020715729819741984 -0.0016853893602889354 -0.01702690249367044 0.006242779566341304 -0.0020715729819741984 0.006242779566341304 -0.014114590755111836" free_energy=-225.05530306 pbc="T T T"
Li       4.84877003       0.10780103       1.02591997      -0.20248748      -0.63338000      -0.20497658
Li       8.56209002       3.33029002      10.27840005      -0.65816102      -0.35072439       0.56627468
Li       6.50677996       0.67233497       8.68295001       0.09191743       0.49976655       0.15126139
Li       4.11726000       4.24813003       5.02636996      -0.22464045      -0.26120503      -0.27447742
Li       3.62310998      10.99130001       4.74761003      -0.91654237      -0.32517595       0.91430505
Li       9.77344002       6.43871997       9.01673001      -0.01837113      -0.41450472      -1.35076275
Li       0.60306802       4.41156997      10.95230002      -0.54121303       0.55417907      -0.53349081
Li      10.24849995       4.12891997       2.83781000      -0.46520852      -1.58722577      -0.52460082
Li       5.89232000       6.61399998      11.13229999       0.21236744       0.97005079       0.06173709
Li       3.60495996      10.75560002       9.35973003      -0.76731615       0.23373180      -0.19727621
Li       9.10936001      10.47489999      10.96379995       0.21024503      -0.05709766       0.46517439
Li       0.60958902       1.20220001       0.37098800       0.18771564      -0.29552349       0.11031386
Li       9.49245005       7.17691998       1.18484997      -1.24821457       0.16261595       0.35011825
Li       7.27636997       5.49971002       3.67585999      -0.26350048       1.21394045      -1.12922063
Li       7.25547002       1.71352995       4.19604998      -0.11196720       0.23750685      -0.34477171
Li       5.91280002       4.69355996       7.53900001      -0.71201145       0.59381965      -0.27373202
Li       8.93354003       9.98535999       6.46191003      -0.52299053       1.01492948      -0.35070204
Li       0.91331804       8.40084996       8.79327995      -1.49413488      -2.90713123       1.61912729
Li       2.99366001       3.75921001       1.96943996       0.37850298       1.42091876       1.91929172
Li       0.49508195       7.34750996       4.07272998       0.20676877      -0.56349119      -0.49413325
Li       6.60458999       9.27633003       2.45221994       0.31923654       0.26078071      -0.07926970
Li       9.86881996      10.58220004       3.05542003       0.51752716       1.29682419       0.84753808
Li       0.34748600       1.52956001       4.77330996       0.29042867      -0.53268461       0.21274889
Li       0.20166999       0.27260098       7.95507003       0.53233446      -0.16954254       0.57230363
Li       9.02063004       3.46588998       6.76223003       0.04259076      -0.23316545       0.02139605
Li       6.92763999       8.68308999       9.11376998       0.26443932      -0.51992924       0.14786985
Li       3.72689003       3.04488000       9.96864002      -0.43719865       1.14609307      -0.17037711
Li       4.17473995       7.84227997       6.77405005       0.32134713      -0.62591523       1.14822980
Li       3.96395002       6.97392003       2.68129002      -0.45184835       0.08314398       0.09291419
Li       2.10539005       9.71844002       1.07805997      -0.03281857      -0.80904429      -0.53067355
Li       1.65785000       4.08433997       6.93569995      -0.41344994       0.36363998      -0.00087891
Li       6.12202003       2.88770002       0.85676406       0.53811368       0.79304484      -0.09004956
Cl      10.23700002       6.05992995       2.61428004       0.84423858       1.08651875       1.65389681
Cl       0.76948202      10.77270003       2.32264996      -0.59698040       1.01164670       0.85491013
Cl       4.89094998      11.41190002       3.22085005       1.10029748      -0.14135090      -1.06402193
Cl       4.80165998       1.68226995      11.02920000       1.06992611      -1.80026658      -0.45954559
Cl       5.26472002       4.73644003      10.84759996      -0.84088330      -2.10375806       1.16909612
Cl       3.78690003       8.52342994       4.94704998      -0.73070030       2.00186118      -1.79245310
Cl      10.12419998       7.22959995      10.83479997       0.71164867       0.67646542      -1.20287973
Cl      10.18219996       1.86722995      10.94580000      -0.23212785      -1.47800734       0.20441031
Cl       3.84195001       9.75773006      11.21429997       0.74352848      -0.35001261       0.51552716
Cl       6.54158001       6.98007004       1.83489001      -0.38042182       0.14632351       0.66077730
Cl       1.43516003      11.45270002      10.12419998      -0.43117416       1.02375398       0.58182747
Cl       9.35767001       9.12937997       1.84321996      -0.89138638       0.23606288      -0.55193545
Cl       0.60538197       6.01375997       8.23850005       1.29710531       0.53861685      -0.51057348
Cl       7.53077003       3.89111997       4.79839002       0.26035547      -1.31852583       1.63219832
Cl       4.87240995       3.22512004       2.57758001       0.49575941       0.22190548       1.43443266
Cl      10.88530001       3.41865004       4.65412994       0.32020913       0.07773959       1.21720814
Cl       2.50426995       1.69439996       5.49937996      -0.23296596      -0.43655478      -0.38985056
Cl       9.95755005       0.70817804       6.67709995       0.40010029       0.22528895       0.21709787
Cl       9.45800998       8.27855006       7.48638997       0.31822526      -0.67194294       0.41675082
Cl       6.66307994      10.22640003       7.62766005      -0.60900470       0.39753005      -0.37712293
Cl       5.13463999       6.07639002       5.73016005       0.87657968      -0.84374488       0.19922524
Cl       6.24895002       6.41896999       8.90102997       0.83434577       2.05206654      -0.76314886
Cl       8.07427000      11.13129996       4.43864000       0.09363869      -0.58225206      -0.49929666
Cl       1.88162002       7.39141999       0.80837402       0.32561262      -0.22071136       0.53285908
Cl       6.90618998       9.96266002      11.14939999       0.54692194       0.25305786      -0.15408154
Cl       2.08981995       3.07267997       0.44737301      -1.71599321      -0.75639377      -1.97962177
Cl       8.50199999       3.19735997       1.77318995      -0.89978026      -0.15439485      -0.42164628
Cl      10.06929995       4.15584005       9.15403998      -0.16422108       0.33526014      -1.07192432
Cl       2.29419000       5.79735002       4.01520005      -0.07903528      -0.70507223      -0.21114384
Cl       1.66361000       9.81991999       7.85357997       1.81119293       1.57592962      -2.88216330
Cl       6.87700994       2.90218996       8.05570004       0.98586498      -1.19690322       0.46048947
Cl       3.57668996       3.46637997       7.82447996       0.13766369       0.34061857      -0.07050870
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.81381562 stress="-0.02441590412826476 -0.0024487357380368036 0.0058330818766619726 -0.0024487357380368036 -0.014414488259395779 0.0003531567760097976 0.0058330818766619726 0.0003531567760097976 -0.020354154277770372" free_energy=-221.81381562 pbc="T T T"
Li       8.29247996       0.23624797       0.87669895      -1.91223342       0.19826830      -2.73121328
Li       8.90790005       7.23376997       6.43570005       0.87210014      -0.21622161      -0.56771518
Li       3.59056999       2.21389006       1.05761996       0.51814908      -0.03996011       0.13306690
Li       5.56468004       8.53445996       7.51283004      -3.25092831      -0.08283891       1.95130299
Li       3.69756004       7.12295005       1.70638002       3.11712023       1.26703373      -1.64601789
Li       7.68352996      11.30780000       7.21800005      -0.36597070       0.16308806      -0.58421009
Li       1.22871001       1.74142002       3.83377002       0.53612071      -0.52083836       0.26074412
Li       9.03151996      10.20090003       3.93054998      -0.46467867      -0.03588078      -0.69504151
Li      11.19730005       7.69607005       0.21376297      -0.47010111      -1.24789292       0.36268543
Li       1.99835001       1.36773000       9.61636000       0.75267659      -0.07398151       0.34566122
Li       0.30082901       5.24032002       3.20715998      -0.29843320       0.16411961      -0.07819010
Li       0.23668499      10.54349995       6.26716000       0.07496742      -0.16865075       0.03123078
Li       7.48752000       6.85204005       2.63683005       1.89680646      -0.22143653      -0.45370689
Li       6.03331998       3.45310995      10.03370004       0.73590295      -0.66146060      -0.38307706
Li       6.35958995       4.02898997       6.81983999      -0.08758954      -0.31625397       0.51674247
Li       9.75870005       2.57370004       2.51669998       0.14910456       0.33958189      -0.11383308
Li       1.44263004       4.03619997       6.58730002       0.36192851      -0.26983368       0.35200139
Li       3.99873000       0.62242695       6.63198996       0.42321949       0.00400297      -0.31819012
Li       3.83430999      10.67779998       2.36198998      -1.32379335      -0.08597918      -0.61746041
Li       0.77108198      11.10710001       1.10627999       0.37274394       0.46201936       0.79637360
Li       5.76535997       9.19149000       4.41890000       0.62428212      -0.76132446      -1.15736241
Li       0.08989280       6.71725004       8.01224996       1.62730594      -0.73923547      -2.60130537
Li       3.81429003       6.01018002       9.79384999      -0.67992216      -0.12195841       0.47808218
Li      10.03249996       3.60366002      10.58040003       1.41464663       0.02547885       0.19633303
Li       5.42616001      10.38880004      11.06670000       0.14571895       0.98827721       0.67682993
Li       6.76158001       1.56147003       3.62565000      -0.54178140      -0.61475519      -0.46158377
Li       9.74200003       3.65045996       5.62546996      -0.52012922       0.29813803       0.67726318
Li       2.64517994       8.25332004       4.74257996      -1.79818734      -0.21859884      -1.23367456
Li      10.18960003       9.96627998       9.49066002      -0.55165425       0.13008985       0.26317464
Li       8.55647997       5.93827995       9.25595995      -0.38483882      -0.34920060      -0.10894311
Li       4.68133995       5.33410001       4.21575995      -0.30140615      -0.20194750       0.21789839
Li       2.17101995       9.44376997       9.27221000       0.10446130      -0.06285858       0.28774870
Cl       8.13349997       4.02722000      10.22949997      -2.94208890       0.14313322       4.49663762
Cl       4.28895995       3.96576000      10.95340001      -1.73312661       0.41497158       0.93322315
Cl       8.84483000       8.21437003       3.33868004       0.50209110      -0.37550445      -0.17393614
Cl       8.16545998       3.21459996       4.01404995      -0.16562844       0.56832491       0.60638893
Cl       5.97920996       1.65073997       7.86974002      -0.16944039      -0.00758779      -0.17712036
Cl       7.13274995       8.29287995       6.61166001       3.02052287      -0.62870728      -0.94166257
Cl       0.07878368       8.92050996       8.22871999       0.39574426       1.18906986      -2.19945673
Cl       2.07788002       5.62619003       7.85773004      -0.31395624       0.64854122       0.57789013
Cl       4.25626004       8.75643995      10.66319999      -1.21181806      -1.60447154      -1.25899798
Cl       8.99750005       4.07470001       7.98730999       1.10346220      -0.12611030      -5.01706762
Cl       8.98645995       0.34794801       2.58418997       1.85731375       0.68811972       2.29183554
Cl       3.76295000       3.61829005       5.08311000       0.04693451      -0.06747324       0.50236183
Cl       5.06155005       9.08425003       2.21887003       0.30824869       0.49046620      -0.40962488
Cl       2.89273995       0.32110795      11.30359995       0.39817649      -0.33062922       0.12952462
Cl       0.32423896       3.55886002       4.81224002       0.54213079      -1.64764539      -1.06776863
Cl       0.31417504       9.58759005      11.08459999       0.15333953       0.84027213       0.55310906
Cl       2.31226000      10.51670002       7.30748999       1.03722709       1.40010219      -0.12347384
Cl      10.48219999       6.90103002       9.55673004      -2.48742148      -1.33433511       3.88443423
Cl       0.50429499       1.95064003       8.40492001      -0.90419982       0.45828426      -0.56710421
Cl       5.11208999       5.66260999       8.27001994       2.07432746      -0.04583774      -1.27672928
Cl       6.37327005       1.66419995       0.93256496      -0.12162520       0.10707133       0.11852044
Cl      10.05930001       4.95257003       1.56521999       0.44306609      -0.09287426      -0.09887906
Cl       5.61665003       6.44118995       2.68863002      -1.41601975      -2.08852611       0.18563900
Cl       6.47067000      10.98669996       4.98586998       1.43992288       1.41878910       1.19185030
Cl       7.49068002      10.74589998      10.58110004       1.22668382      -0.76575584      -1.32695855
Cl       2.12010995       6.64719997       2.53450997      -3.13997358      -0.76680845       1.76977044
Cl       1.19591999      10.47080002       3.57210000       0.11807579      -0.12692479       0.15566875
Cl       9.47396000      10.38560001       5.85865995       1.02680077       0.66641695       2.23110886
Cl      10.54449998       5.84752000       5.75462001      -0.27515118       1.79431794       0.25799668
Cl       4.25679003       8.75725999       5.71527999      -0.08491274      -0.47991664       1.22928863
Cl       0.83136001       1.91714003       1.73804998      -0.51142994       0.44575616      -0.63458038
Cl       4.42343997       0.72154402       3.47123005      -0.99288313       2.18648146       0.36249793
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-225.13194654 stress="-0.0019836928954892912 0.003409758929868914 0.00145781095522025 0.003409758929868914 -0.0057191999377850375 -0.005516903520653346 0.00145781095522025 -0.005516903520653346 -0.02423259269044503" free_energy=-225.13194654 pbc="T T T"
Li       6.02105997       9.71655002       7.91308004      -0.24786797       0.06520546      -1.05962567
Li       1.08076004       3.99792005       0.58184202      -0.16969059      -0.89499151       1.21727805
Li       2.48333996       9.81508000       6.21273998      -0.94610952      -0.52821027      -2.04698897
Li       8.61256002       5.39515005       2.75968999       1.26661767      -3.58643527      -0.09994491
Li       4.05993000       5.02363997       1.15891995       0.40461056       1.62758384      -0.64296451
Li      10.77249998       3.94175001       5.50999004       0.38346004       0.43955829      -1.36207214
Li       4.09422001       3.70295995       9.28187003       0.13658465      -0.42063336      -0.11990160
Li       9.87723004       9.69242000       8.73347000       0.45816185      -0.11695439       0.13413491
Li       7.39122005       2.77407995      11.28899996       0.52061477      -0.10720808       0.05173765
Li       1.51435998       1.45551004       7.83690999      -0.52687098      -1.29765303      -2.65341251
Li       7.39339998       1.39309002       3.94891003       0.05266311       0.10652570      -0.81827404
Li       4.88848998       5.91338000       6.53025995      -1.05887601       0.89283724       0.76229174
Li       2.74679003       3.77300005       4.09483999      -0.74214362       0.43257335       1.64820398
Li       4.52618995       1.32021996       1.62830002      -0.10286305       0.37386186      -0.03869134
Li       0.82238199       6.55619995       3.89311005       0.05448916       0.26900408      -0.38835394
Li       5.38676004       9.15548998       0.15691986      -0.08811351       0.67284159      -0.40335568
Li       2.05864995       8.98129002       1.23442003       0.13640127       0.39283561       0.36022328
Li       9.61280998       1.36948002       1.81695999       1.01971835      -0.64057321      -0.16352679
Li      10.86950006       7.13114002      11.24199997       0.16753452      -0.27010965      -0.07166447
Li       6.16000005       9.39236001       4.26753000       0.32223099       0.95112138      -2.26253166
Li       9.88335002       0.58262297       6.60721003      -0.07933060      -0.24239628      -0.11136869
Li       1.23039996       0.44225501       3.52642001       0.27774653       0.41826350      -0.50433883
Li       7.89129997       6.83192999       5.87165002       0.02763469      -0.04864190      -0.40912153
Li       8.53893997       9.38853002       1.42078004       0.07372036      -0.56971645       0.27921750
Li       3.91436998       0.16860505       9.45831000       0.67330457       0.73391594       0.94022873
Li       4.47776002       1.61847994       5.79405002       0.27504458       0.39861623       1.17297829
Li       0.48801996       0.66148804      10.95810002       0.41280317       0.18469546       1.21430245
Li       6.79293000       5.67123995      10.00500002      -1.39726353       1.32170161       1.53003960
Li       1.96516998       6.74716998       8.88668999      -0.09105180       0.05516277       0.10423509
Li       7.72498995       3.03878995       7.51183998      -0.48670700      -0.74204306      -0.49730842
Li      10.43819997       9.27793996       4.61321003       0.24703865      -0.22677152      -0.60990489
Li      10.86950006       4.08921000       9.14770001      -0.76056935      -0.75120787       0.10914927
Cl       7.20891002       1.01237997       6.01943995       0.56859586      -0.01644705       0.36929302
Cl       7.84389002       7.04701994       2.73501003      -2.68679333       4.05489130      -0.51652654
Cl       1.65587001       5.78874000       1.77449000      -0.60709850       1.16335420       0.33267710
Cl       3.51965001      11.16469999       0.39681989      -0.02166050      -0.63091662      -0.05259720
Cl       0.28131991      10.97930000       1.54960003      -0.39407222       0.26242403      -0.89489686
Cl       9.85228996       6.09546005       4.44642998       1.56073010      -0.61519976       1.57791472
Cl       2.23539005       6.03648997       5.50471005       0.37768697      -0.43734657       0.67951094
Cl       4.85265998       6.22821997       8.91111005      -0.93818136      -0.23457255      -0.18165662
Cl       0.10911599       8.08483995       9.35401004       0.51910955       0.20996058      -0.44870180
Cl      11.30810002      11.21260005       4.97059004      -0.10183987       0.62271898       0.80223310
Cl       1.56707996       8.97005995       3.53870995       0.25222402      -0.67303688       0.52915628
Cl       7.88844995       4.77121005       8.73581995       1.57753262      -0.23749954      -1.25918231
Cl      10.18920004       2.90073995       7.20501996      -0.20479629      -0.37337069       0.48636120
Cl       8.03048000       2.68302995       1.98040004      -2.14655924       0.74936248       1.58274469
Cl       6.07834995      10.28339997       9.78821002       0.50990392       0.27065303       1.65903338
Cl       5.34851004       2.61627001      10.89108007      -0.69012824       1.16529187       2.61458991
Cl       0.85243595       5.13965997      10.34709998       0.20442678       1.04095211      -1.21295958
Cl       3.15312000      10.43110002       7.93719000       0.16377228      -0.13660687       0.51061281
Cl       5.96654995       4.73878998       5.35734006       1.09316559      -0.77975612      -0.66789539
Cl       4.23111004       0.71056903       3.93019000       0.56186174      -1.11344158      -1.00766593
Cl       3.46746999       3.48566999       2.26221005       0.52952323      -2.15613845      -0.68926334
Cl       6.15415005       8.68459995       6.06316001      -0.33635495      -1.60728787       1.33151440
Cl       5.32615997       1.86845995       8.39322003      -0.74147251      -0.17116626      -2.72186947
Cl       9.33983996       9.45351002       6.43860005      -0.68246284      -0.50812075       1.20062486
Cl       8.24076001      10.79289998       2.78496001      -0.61773699       1.04107435       1.27382783
Cl      11.06759995       2.72921002       2.86823001       0.81283674       0.38729876       0.44710100
Cl       1.73576996       2.17882002       9.55811000       1.85222197       2.23615855       2.94412095
Cl       8.92877995       8.20694003      11.34380002       0.07583290      -0.76173663      -1.62458644
Cl       9.54808001       2.96258997      11.02489998       1.31787006      -0.00981510      -1.03512894
Cl      11.32630003       0.17579201       9.10088000      -1.89083577      -1.62485272      -1.85793263
Cl       4.75306003       7.33469003       0.95695097      -0.35232782      -0.56691647       0.12393473
Cl       1.97759004       2.09331999       5.60966003       0.22210417       0.55733015       0.44494218
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-224.12764085 stress="-0.010693377788427157 -0.0003107295747153122 0.00097271917450763 -0.0003107295747153122 -0.020283000181199502 -0.0018795965381746258 0.00097271917450763 -0.0018795965381746258 -0.019796949492473834" free_energy=-224.12764085 pbc="T T T"
Li       8.62933994       1.81094996       8.12967996      -0.21732946       0.21771513       0.92007248
Li       0.91998704       9.72784004      10.94320001       0.10415947       0.29648537      -0.26169732
Li       0.77104403       0.62100595       2.62307005      -0.17960027       0.29624737      -1.43342529
Li       4.48348998       1.53536002       7.72926005      -0.17351490       0.17466614       0.70233898
Li       5.07162004       5.43539002       3.09008997      -0.46149593      -0.57488120      -0.04236266
Li       9.13593995      10.29249997       9.77300002      -0.02228497       0.12549543       0.21168610
Li       8.21856997       6.30843003       1.75228002       0.09912044      -0.26765004      -0.43627352
Li       3.52629000       9.46561000       2.68899997       0.06866586       1.04739398       7.06373469
Li      11.25050004       5.22906004       2.76825999      -0.24156039       0.50196484       0.32192128
Li       5.10714005      11.35940004       5.17376999       0.61833490       3.78079550       1.36078980
Li       0.84006805       1.11426004       7.06088003      -0.05472619      -3.95341884       0.34117266
Li       4.54300003      11.11309996       0.04141987      -0.09696788      -0.31835087      -0.25704449
Li       8.14625994       7.16658000       7.77988998       0.08914806      -0.40279741       0.68111983
Li      10.55329996       6.41430002      10.49950005      -0.23210907      -0.09770129      -0.32600146
Li       6.60074005       1.67886999       2.14493000       0.43971944       0.17203941      -0.17116964
Li       2.11934999       4.37229002       0.99673501       0.46885182      -0.03686608      -0.88021959
Li       6.88996997       8.70687000       4.40987004       0.24456982      -0.20418940      -0.44076940
Li       2.44565997       3.40357004       5.43434001      -0.25632273       0.69018746      -0.53572614
Li       2.41060002       5.26891996       9.30220995       0.16858935      -0.30909000      -0.13697053
Li      10.41280005       4.67366003       5.90962006       0.53158680       0.14929277       0.01317638
Li       7.36163006       3.15462996       5.52025997      -0.08676511      -0.04899481       0.86302996
Li       1.25457996       2.29587995      10.13109999       1.96500787      -1.52328270       0.61891384
Li       9.82264001       0.72629505       5.06693998      -2.20297771       0.51263769       0.83996388
Li      10.15589998       3.09960004       0.20821987      -0.58716772      -2.38499909      -0.17330688
Li       9.17239005      10.48259998       2.09876002      -0.57547198       0.07492243       0.01516346
Li      10.03279998       8.31162003       5.43684002       1.02441370       0.02870256       0.83741010
Li       4.77174004       6.16580006       6.66129002       0.97873655       0.03491939       1.97195105
Li       6.51147997       8.50727001       0.20758005       0.23982729      -1.14916696       1.59669396
Li       5.76324000       4.22617995      10.62670002       0.10165699      -0.13859869      -0.24011069
Li       4.66535003       8.65955004       8.84390002       0.55941712       0.90349815       0.34930274
Li       0.63000598       7.85678997       7.92716999       1.77000175      -1.35871719      -1.35443982
Li       3.09732003       8.45153997       6.21831999      -0.26898157       0.30781064      -0.08521733
Cl       3.48398005       1.61322999       5.81327000       0.74172732      -1.20992550      -0.45259097
Cl       5.78975000       4.47152001       8.29098995      -0.00675866       0.64667212      -0.20234903
Cl       4.86034001       9.64866004       4.50675995      -1.33147222      -2.63274983      -1.18622118
Cl       3.14828001       7.31368999       8.24226997      -0.47597979      -1.23925858      -0.45049489
Cl       0.85874600       8.83590999       6.00104998       0.36955367       0.27045377      -0.67141037
Cl      11.04370002       3.06821004       9.80909003      -2.03597353       1.16345190      -1.11728227
Cl      10.27770004       6.49312004       4.35875001      -0.16286825      -1.58463608      -0.86823312
Cl       2.19301005       0.83621995       1.15982001       0.94502707      -0.01743930      -1.00319538
Cl       3.85216996       5.39955004       5.09976004      -0.74738379      -0.55825426      -1.55970779
Cl      10.82300002       8.75056003       8.99818000      -1.60621236       1.68029472       3.08235379
Cl       0.78810506       2.91624998       6.80224002       0.65806410       4.43360930      -0.30973305
Cl       6.07313004       7.16292003       2.34271004       0.84637917       0.38117139       0.11496743
Cl       3.09004996      10.43529996       8.78939001      -0.05953608       0.67080138       0.12434825
Cl       5.26481002       3.89091006       1.36561003      -0.74948583       0.06901548       0.55115063
Cl       0.18451805       0.45828804       4.47307996       1.15227761      -0.50953000       1.18884741
Cl       7.99900998       7.02769002      10.50299998       0.48287357      -0.51161248       0.31115185
Cl      10.44930003       6.22372998       7.48805997      -0.61006165      -0.25062016       0.39425109
Cl       3.17400001       3.19307004      10.10789996       0.55893632       0.30367416      -0.11565933
Cl       9.40360005       2.85135998       6.51339003      -0.95320441       0.66663993      -1.49595949
Cl       7.09892997      10.41730001       1.32681995      -0.57966615       0.75751004       0.99301237
Cl       6.32638000       9.64228005      10.10150002      -0.76004540       1.41912620      -2.72122189
Cl       7.18083996       1.31084998       4.45871005      -0.22113046      -0.66768390      -1.03837320
Cl       8.13783003       2.87606997       0.88984504      -0.74086318      -0.56861629       0.14638277
Cl       9.14366997       9.25092003       3.80010998      -0.81487655       0.46177178       0.34420595
Cl      10.09160004       0.31802498       8.33105004       0.56543784      -0.80602116      -0.28386260
Cl       3.51556001       9.23555996       1.02595998      -0.29039425      -1.28661476      -7.48580776
Cl       6.61742001       1.33757000       7.65303004      -0.45029039      -0.64778850       0.05948974
Cl       6.27295003       7.88345004       6.56182994       0.73656966      -0.14104456       0.34384216
Cl      10.21470004       0.01071990       0.64974598       1.23725189      -0.01668643      -0.87453434
Cl       1.37406000       6.12732994      11.04450000       0.52718876       0.69598084      -0.04373723
Cl       1.35295002       3.85839002       2.88296000       0.52699830      -0.66626857       1.09260305
Cl      10.41449997       4.88650001       0.83563000      -0.56661368       3.14850771       1.20006095
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-221.62021499 stress="-0.012451335359043582 -0.005453243310738991 0.003577848038462652 -0.005453243310738991 -0.014244172205311961 0.013729805687100936 0.003577848038462652 0.013729805687100936 -0.013800155827364324" free_energy=-221.62021499 pbc="T T T"
Li       2.87591004       7.37545999       6.08347002      -0.22869656      -0.28504754      -0.48020586
Li       2.13738995       2.04872005      11.37370001      -1.61478922      -1.65822153       0.70059706
Li       0.60746595       3.90852997       5.38154998       0.63025244       0.02628673       0.02514083
Li       4.69731004      11.24540004       1.12908003      -0.08277651       0.28756078      -0.34445220
Li       6.11309005       7.82397003       3.89532002       0.28808656       0.38729284       0.46855125
Li       9.20207004      10.49429996       5.75705995       0.03145125      -0.38874745      -0.87155858
Li       9.84990997       9.50745003       8.93742000       0.80113652       0.21076933      -0.67854386
Li       5.62071997      10.87610004       4.32915005      -0.61516221      -0.98740018       0.87367615
Li      10.59039998       1.80491998       8.16466997      -0.52252293      -0.04788460       0.06241218
Li       7.57303000       9.35051997       0.98814998       0.27397850       0.16365723      -0.27791988
Li       0.62711102      10.71979994      11.25640002      -0.17037723       0.04625870       0.67811325
Li      10.06779997       7.45743005       4.28942998       0.84389063       0.35520025       0.12034121
Li       3.22311998       8.33945003       2.51168001       0.21101436       0.63678324      -0.10272358
Li       4.60007999       2.63605002       2.68886000      -0.19010715      -0.20532982      -0.32622854
Li       0.08935134      11.16090004       3.06008003      -0.17466931      -0.21451562       0.23578364
Li       9.29533001       5.86322996       6.83241000      -3.41531992       1.20774362      -0.74247264
Li       6.96633996       3.12987996       9.75692996      -0.07142375      -1.67615923       0.56232347
Li       6.61378996       0.11058502       8.76762003      -0.36485668      -0.22793362       0.30350048
Li       2.56014995       1.38096998       8.38477005      -2.35715031      -0.97651289       0.32171676
Li       2.15561001      11.18629996       5.89006004      -1.00303114       0.58254490       0.26379042
Li      11.40710004       6.85557999       8.62628999       0.41124910      -0.01658395       0.35751543
Li       7.99639005       5.52318004       2.69611001       0.08477023      -0.77317674       0.03891419
Li       4.57748997       3.03274999       5.91509998      -0.31792552       0.07101884       0.03328502
Li      10.19480000       4.19956998       0.08533150      -0.55244781      -0.26835745       0.69835551
Li       7.82102004       2.58193002       4.73011003      -0.47890801       0.62949643      -2.48789056
Li       2.59678004       5.80563995       0.59370801      -0.41815849      -0.14370635       0.19340205
Li       8.03301005       1.36580996       1.12157001       1.48529270      -0.35810311       0.85182156
Li       3.31939001       4.75334996       9.31147000       0.00067386       1.49086158      -1.31346562
Li       3.50304996       8.67709005       9.37442002       0.09695556      -0.47142388       0.17821035
Li      11.43399995       7.79853996       1.09709996      -0.85716666      -0.14376701       0.28682966
Li       6.84725005       6.54976998      10.88549995      -0.50354688      -0.21279609      -0.47990229
Li       6.87264996       8.46519003       7.60833001      -0.02649176       0.30000504       0.37280805
Cl       5.47615998       9.41620995       2.30525005      -0.10279930      -1.62924874      -0.51418218
Cl       2.02557000       6.52055005       7.87587994       0.02963740      -0.54816504       0.89492846
Cl       5.89183001       9.16380996       5.82136998       2.71901238       2.25404814      -3.63897090
Cl       8.31571003      10.69719995       7.63397996      -0.00935829       1.09881071      -2.44837215
Cl      10.95510005       5.20745996       7.25300004       2.21123284      -3.00256284      -0.33520186
Cl       6.48364000       0.62265406       2.96543999       0.90486419       1.39567481      -0.46811521
Cl       3.25211005      10.49780001       4.29871995      -0.02370608      -0.71831405      -0.37626694
Cl       7.30731000       4.95781001       9.20578997       0.12374985       2.76543540      -0.75509756
Cl      10.29039995      10.50259999       1.07828995      -0.21522167       0.92245050      -0.92689907
Cl       2.81840006       4.95491000       3.81623001       0.01191726      -0.64780801       0.46663379
Cl       9.99291002       9.48565002       3.67968001      -0.56736898      -0.48584485       0.65171490
Cl       0.08541966       5.47458995      10.71279997       0.89835967       0.96196385       0.12287510
Cl      10.60279997       8.39684996       7.10538998      -0.24837558      -0.32669744       0.21090806
Cl       9.40134995       2.70116002      10.32520000       0.01019444      -1.10715970      -0.56054889
Cl      11.10590005      11.45439994       5.71152005       1.31182703       1.04566230       0.31987211
Cl       9.17523996       3.34221998       2.92134000       0.19867800       0.37265333      -0.41286775
Cl       4.27993997       6.81527995      10.98809998       0.33615275      -0.10418072       0.03387482
Cl       0.85322595       0.71782799       9.77054999       0.06173207       0.72510471      -0.99019903
Cl       8.19820001       7.14271000       1.07624999       0.23504371      -0.35374146       0.22238627
Cl       6.43592005       2.17894005       0.27774603      -1.71952149       0.58291346      -0.92063834
Cl       4.21508000       2.19737003       8.08131996       4.29984995       1.14332279      -0.19229198
Cl       1.36579002       7.25503002       2.69800001      -0.65192411       0.18146309       0.11346285
Cl       4.67266000      10.46299996      10.26910000       0.03467067       0.39081470      -0.13649596
Cl       8.13318998       2.07159002       6.53617999       0.44781590       0.02156001       2.36170031
Cl       4.48248995       7.93875005       7.34156000      -0.97440129      -1.41067458       3.30775238
Cl       2.60915000       0.86139803       1.70433995       0.01367375       0.02193857       0.05047821
Cl       3.35761995       3.34424996      10.71709999       1.08995866       1.26297457       0.96637795
Cl       8.06301998       9.67445994       9.87289001      -1.84523450      -1.89323651       4.47344915
Cl       2.23045995       2.09669003       6.02249002      -0.91054656       0.15252682      -0.55011393
Cl       8.10988997       6.71352002       4.59387002      -0.48796468      -0.58184784       0.58884054
Cl       1.27571998       8.72554004      11.27409995       1.19810497      -0.06261174      -1.45565023
Cl       5.82367005       3.76286998       4.11582994       0.42672339       0.23296331       0.37493219
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.93496748 stress="-0.013648912633040964 0.002176208661850922 0.0029889775121102555 0.002176208661850922 -0.014754948938273761 -0.0008964416415481376 0.0029889775121102555 -0.0008964416415481376 -0.01797080196790249" free_energy=-223.93496748 pbc="T T T"
Li       7.81237998      11.13480000       7.56869995      -0.06341839       0.16484214      -0.02041595
Li       0.48717401       8.11666995       0.34003605      -0.13374699      -0.18412167      -0.38060492
Li       9.97386005       8.15453005       8.42825005       0.44214763      -0.17486860      -0.19948275
Li       4.61581999       7.88284002       0.89540900       0.09602087       0.05064250       0.41286677
Li       4.57453001       2.75886995       2.17543003       0.10923781       0.26756132       0.01221927
Li       6.49194002       4.38191004      10.90270004       0.24028206       0.15234563      -0.80890140
Li       1.83326002       4.94373004       2.63720000      -0.09588990       0.49153130      -0.07545380
Li       5.36471996       7.68870998       8.82957999      -0.04913292      -0.50971064      -0.08887094
Li       2.41732004       1.88835999      10.06189999      -2.17758022      -0.35797588      -0.99812098
Li       3.70262003       4.78306996      10.49710000       0.19870538       0.22645768      -1.29540229
Li       3.03472002       3.79623001       6.54294999      -0.05995442       0.44217697      -1.44433957
Li       1.74478994       7.69242005       7.80697996      -0.12960789      -0.26031995      -0.88646008
Li      10.18450003       6.64721005       2.98110995      -1.07262378      -0.21527762       1.05080792
Li      11.11229998       0.21852603       0.81721802      -0.33975993       0.38411673      -0.73734366
Li       9.32326995       3.20341002       2.30629995      -0.49335142      -0.16495543       0.01589307
Li       7.13862997       0.72348595       3.82234002      -0.97672664       0.24783130       1.54768337
Li       5.56316000       2.64217000       8.91732002      -0.47289394      -0.14893677      -0.39801384
Li       6.85015005       5.27344996       3.41149003      -1.64572992      -1.77621527       0.51327476
Li       3.85768004       0.73921804       5.99097001       1.90484951      -0.00971409      -0.67147438
Li       9.62373005      10.50699998       3.32413003      -0.71360765       1.66039994       0.27696610
Li       9.00594005       1.65594005      10.24350003       0.58675391      -0.97588144       0.10000160
Li       8.07278996       8.93509000       0.32358297      -2.55298511       0.60581515       2.30538786
Li       1.69340005       8.84364999       4.68034004      -0.75196957       0.84060620      -0.65981571
Li       0.42946500      11.03109997       7.44808999      -1.18892804      -0.46404088       0.67741908
Li       6.75677005       3.82560000       6.62381994      -0.11323194       0.17919949      -0.22256499
Li       7.18818994       8.84294000       5.21522001       0.15613673       0.08123232      -0.23991198
Li       9.58202999       2.62431002       6.98574004      -0.20387147       1.71656546      -0.44774030
Li       3.69257996      10.38389998       2.65478999       0.74789947      -0.31542701       0.34682909
Li      10.89169995       4.94146997      10.33329997       0.55816111      -0.15413009      -0.37777052
Li       1.41032003       1.82258999       3.72091003       1.30732362       1.47857507       1.60672597
Li       4.83207999      11.00800002      10.35509999       0.96339131       0.31095957       0.39554045
Li       4.34370005       7.04059995       5.21320001       1.17014738       0.12400052      -0.59862985
Cl       6.59351996       8.30419003       7.32838995       0.94866886       0.12856713      -0.11494389
Cl       5.67521004       1.84650000       6.57156002       0.22725913      -0.46449345       0.82707942
Cl       0.92918896       0.24931989      10.51839994       0.35739591      -0.52059173      -0.08454632
Cl       7.73411002       2.98949996       9.41140000      -0.04981254       0.59518485      -0.15243892
Cl      10.28259999       8.64849997       3.46333998       1.54479523       0.41839163       0.04228184
Cl       8.71118997       3.34215005       5.28916003      -0.53715193       0.51512368      -1.38019315
Cl      11.42479998       8.77972000       6.75837001      -0.79088588       0.95916597      -0.07181320
Cl       5.17173004       6.71609995      10.68380004      -0.38760073      -0.17583427       0.97485588
Cl       2.92064000       3.33973005       8.48985004       0.42159300      -0.49239349       0.50230855
Cl       3.36278002       8.04204998       2.66024997      -1.12890979       0.00518025      -0.17589992
Cl       0.02440000       6.23437995       1.54851998       0.89847017      -0.65973142      -1.24086724
Cl       4.04907998       2.40132003      10.95510005       4.01175397      -1.80907690       1.32592021
Cl       5.07647998       9.48702997       4.86764001      -0.30491783      -0.16893770      -0.09997700
Cl       4.42087002       0.82301104       3.69480002      -0.36741045       0.75225558      -1.03683474
Cl       2.01207998       0.40283302       6.50562998      -0.76118019       0.05904671      -0.32796251
Cl       1.61353001       3.84658995       4.53544002      -0.22267372      -0.05900103       0.10279225
Cl       2.42357999       7.38776002       5.85358999       0.64373706      -1.61648863       0.35752756
Cl       5.01905002       4.27729997       4.55298003       0.00877813       0.89624228       0.05286503
Cl       7.21239998      11.17220004       9.68746995      -0.68870301       0.10186707       0.15820368
Cl       5.97880997       9.61231999       0.97004502      -0.79930444       0.26695171      -0.28017686
Cl       0.89205100       7.63686002       9.57043995      -0.18940725       0.62739733       2.88790804
Cl       9.34682996       8.70536004      10.47649995       2.38544086      -0.53492588      -1.72425054
Cl       5.83631000       4.93823005       8.52081999      -0.48545403       0.42820750      -1.04843856
Cl      10.26240005       1.20740995       8.03958000       0.74707226      -2.33005191       1.48803111
Cl       2.61782995       4.32692001       0.71062601      -1.05648078       0.76014234       1.74617827
Cl       0.55245403       4.99470997       8.17599003      -1.46004503      -0.02435955       0.06150912
Cl       8.02002997       6.77588995       3.49401003       0.51400699       1.59499762       0.35541769
Cl       7.95086998       0.36504297       2.03582995       1.56132008       0.10873800      -1.27577069
Cl       0.52316199       0.49492203       2.68688997      -0.98780418      -1.90050112      -0.50633068
Cl       8.32208004      11.03839997       5.40159000       0.27819725      -0.33671891      -0.28547911
Cl       6.76818997       4.23226003       1.55312002       0.09630166      -0.80035311      -0.05622397
Cl      10.18340004       3.01594003       0.23465203       0.32690456      -0.03728454       0.26897123
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.14522177 stress="-0.01971436038320701 -0.0011784775944722113 0.0014410917498266368 -0.0011784775944722113 -0.005626052716646907 0.003309533750000904 0.0014410917498266368 0.003309533750000904 -0.018528327772737902" free_energy=-226.14522177 pbc="T T T"
Li       3.04848002       7.05621005       5.88500006      -0.28351371      -1.50136308       1.10887426
Li       1.27187005       0.70931702       0.34799295       0.11232126      -0.21276554      -0.12171485
Li       9.81548996       2.01726000       3.14859998       0.03099928      -0.10585155       0.32554302
Li       0.23830799       9.96435995       2.14100005      -0.82795216      -0.32717249       2.24192320
Li      11.43939997       5.61467004       4.70062998      -0.09309010       0.55570801       0.29393704
Li      10.67730002       6.82749996       9.06751998      -0.75354410      -0.24301278      -0.72615482
Li       4.14821997      10.42219996       1.24353000      -0.28577664       0.12174875       0.16937350
Li       9.53832001       8.89632996       5.81990003      -0.44489704      -0.06436374       0.96913364
Li       7.93129999       9.57977004       2.03083004      -0.53632435      -2.01702437       2.97383327
Li       4.28022004       7.71372997       2.98650997       0.58340712      -0.53971291      -1.38323918
Li       1.38137995       4.45912999       7.87326001      -0.95986386       1.26646314       0.11682989
Li       6.41281998      10.11119995       4.79008003       0.54095274      -0.67055920      -0.80689370
Li       1.53739000       8.77422999       8.74577003       0.22803357       0.33212808       0.11049281
Li       3.64502005       5.37556001      10.12459997      -0.37487178       0.19078907      -0.05225594
Li       8.58614001       5.08294996       0.86118296      -0.49013360       0.13843503      -1.10828479
Li       3.39677001       1.28190003       9.16626996      -0.40518237       0.15731988      -0.47261919
Li      11.26760005       0.89710995       6.27323996      -0.18132742       0.00717084       0.25100044
Li       1.01073003       7.36735004       0.25238005       0.10327934       0.61702806       1.14280784
Li       5.22093003       9.05282002       7.68369000       0.05917281       0.75582307       0.21657900
Li       1.72156996       2.96130999       4.00291000       0.08147376       0.01314427       0.08832739
Li       9.69577995      11.29430001      10.11210001       0.31777721      -0.01091255       0.41260688
Li       6.12949004       2.85504001      10.39159996      -0.02249209      -0.11622123       0.23706716
Li       3.32546998       4.44945998       1.99637002      -0.08478567       0.03984607      -0.12796634
Li       8.23249999       0.04917351       7.37704997      -2.21192133       1.43421375      -0.24502602
Li       6.77011998       1.13728995       2.57503999      -0.34668817      -0.59416143       0.17341484
Li       4.49108002       4.32719997       6.47888003       0.52220428       0.10795399      -0.03489308
Li       0.29681594       3.73195002       0.37915596      -1.91290992      -0.10506568       0.96685950
Li       6.62539995       5.38070002       3.93070005      -0.79655738       0.51780974       0.56545861
Li       9.82752998       3.78445000       9.49186996      -0.71117590      -0.97953976       1.29362464
Li       6.94676000       6.49738005       8.44335000       0.95960382       0.98984896      -1.70570301
Li       2.37850004      10.66979998       4.55813998       0.56124370      -0.46298642      -0.09431193
Li       8.53395003       3.52246999       6.73340000      -0.73308469       1.07960245       0.40061999
Cl       6.39165004      10.58480002       6.83178003      -0.24617449       0.30851015       0.65915259
Cl      10.00710004       5.85468999      11.02379998       0.07718316      -0.36502373       0.03544435
Cl       8.26085998      10.58470005       0.52881996       0.54550523       2.10290482      -3.68542477
Cl       2.07264004       3.84709002      11.12649998       3.40542884       0.88262322      -0.29291324
Cl       3.25236995       8.41719998       4.52920999      -0.95781396       2.34381448       0.04423058
Cl       3.31820999       7.88789004       0.73800397       0.39580037      -0.10955286       0.30916917
Cl       7.51570001       2.48943999       8.35722998       0.11576944      -0.67765008       1.04779751
Cl      10.48739996       8.97536998       4.01482998       0.98600315      -0.44959630      -0.83584849
Cl       6.49454001       7.97965999       3.18824002       0.34043913      -0.11387482       0.05771572
Cl      11.26370001       2.02291005      10.38740002      -1.25583361      -0.54447642      -0.28049530
Cl       4.00711005       4.99418995       4.29166002       1.20072251      -0.37882716       0.24915853
Cl       6.53416996       3.08483004       1.61001002      -1.64735907      -1.33835988      -1.77834519
Cl       0.98594804       6.63782998       6.80575004       0.37055386       0.52226805      -1.35811143
Cl       5.03682997      11.14100000       3.63276003      -0.79557062       0.88128642      -1.03489166
Cl       5.81973001       5.37814004       9.49867000      -1.04917200      -2.44233702       2.69578394
Cl       0.64228595       2.21820005       2.17648005      -1.13465093       0.38878407       0.10862822
Cl      10.74669996       4.59907996       7.95610996      -0.81822334       0.03819839      -1.15268007
Cl       1.98020997      11.01410005       2.44811997       1.13835851       0.09579898      -0.60147788
Cl       8.30033001      11.15520000       3.67265997       0.18370967       1.03265900       0.38093878
Cl       8.60474998       7.56680994       7.57377002       0.78869348       0.46809591       0.09994328
Cl       8.18914002       4.77899005       2.72605998       2.55237091       0.84311270       2.54546691
Cl       4.39779002       0.83969604      10.98320003       0.69049627       0.10421824       0.65531872
Cl       9.80369001       2.43276002       5.60189998       0.81772559      -0.54252652      -1.57658105
Cl      10.04879999      10.98929995       7.56872001       2.29596108      -1.18013245       0.68979557
Cl       0.14801991       9.61811003       0.24896897      -0.53409547      -0.57187150      -2.58747441
Cl       1.48591996       5.32226005       3.12347005      -1.50709086      -0.00377630      -0.60068330
Cl       6.78972000       4.94047006       6.15455004       0.14348177      -0.14337468       0.09053068
Cl       2.96825000       3.31035994       7.89832001       1.81092019      -0.92901586      -0.09339936
Cl       1.25457996       6.74016003       9.76732004       1.14176684       0.09998531      -0.53273080
Cl       1.96868997      11.05970003       9.17516005      -0.23085525      -0.74330710      -0.50753262
Cl       4.57110998       7.15998002       7.55387996      -0.79765588      -0.47533129      -0.21350994
Cl       1.74012994       1.10636998       5.40018998       0.32922893       0.52245380       0.28378086
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.41368218 stress="-0.00902019167698493 0.0021121919244522784 -0.003816688310522625 0.0021121919244522784 -0.007027809795637732 -0.0035495290694982037 -0.003816688310522625 -0.0035495290694982037 -0.023571095932696313" free_energy=-223.41368218 pbc="T T T"
Li       0.07643201       9.04592999      10.68420003       1.08065914       1.12759833       2.90512428
Li       9.64212999       0.15902000       9.05221998       0.73788438       0.85519290      -1.74645388
Li       5.10413997       6.05682004       6.46744005      -0.01982576       0.26883629      -0.48778642
Li       2.44117996       7.77213004       8.06997995       0.15870267      -0.10340510       0.23454669
Li       6.03413005       5.91399998       2.70124004      -0.23552065       1.07225723       0.33619513
Li       4.44154000      10.18480005       1.82589995       0.23304478       0.13488822       0.08718558
Li       0.00862733       3.25520999       2.67396996      -0.13471982       0.25605644      -0.02625714
Li      10.74189998       2.90165996      10.73710000      -1.26723387       1.48373475      -1.28238242
Li      11.25509997       6.30048998       8.60741004       0.52234332      -0.29546221       0.73934317
Li       6.78637999       3.39649005       4.92616997      -0.30939454      -0.43838430      -0.25352629
Li       2.27414998       3.92127996       5.81530996      -0.60114641       0.06242696      -0.01660215
Li       7.89687001       2.45673997       1.96018004      -0.13758131       0.00247649      -0.60012099
Li       6.56163001       0.36256004      10.11210001       2.18426401       0.19267705      -0.55164327
Li       0.74194895       6.59645998       1.04616004       0.25919236       0.66217341       0.35893035
Li       2.49861004      11.42375478       7.82816997      -0.17811100      -0.04328005       0.42501767
Li       8.50749001       7.37777004       8.69214001      -0.54452758       1.48939645      -0.13903770
Li       8.47984000       7.64916005       4.46000999      -0.51853267      -0.54072394      -3.06281420
Li       9.03947995       5.70429996       1.09944005       5.38933120      -3.33928308      -1.09215814
Li       5.27919001       2.56968995       7.57135003      -0.02766056       0.31518531      -0.65241245
Li       1.96308004       0.06563209       4.13897999      -0.15066027       0.13038753      -0.50422000
Li      10.51020000       0.80827600       5.75488002      -1.21245374      -1.14475100      -0.01247369
Li       4.80016997       8.96103997      10.63589999       0.17354572       0.03268126       0.28997661
Li       4.24676005       2.82497001       1.67920005       0.06161316      -0.55056089       0.24556899
Li       7.86720997       8.94033995       0.45610398       0.07711568      -0.35068165      -0.54084432
Li       7.85164996       3.91050996       9.32791000      -0.24777061       0.24531601      -0.27011250
Li       9.81118994       0.08150943       1.37393000       0.22929545      -0.42489572      -0.01942095
Li      11.25329996       9.21571001       7.02545002      -0.54146754      -1.41879886      -1.50345026
Li       3.13317995       4.14372002       9.32426998       0.20503275       0.00679122      -0.23415345
Li       9.96435995       5.04490999       6.06000000      -0.00002706       0.13021526       0.19898598
Li       0.85982296       7.72129995       3.74146995      -0.36751145       0.10186012      -0.39976738
Li       5.26415999      10.55100000       6.57856997       0.59139164       0.54534333       0.05622931
Li       2.10232003       0.50658304      10.82129998       0.34228008      -0.25173437       0.26900922
Cl       1.01245001       6.19862000       6.79846002      -0.09105708      -0.04756052      -1.42960602
Cl       8.98560999      10.97219994      10.77530001      -0.32661806      -0.90581757       1.66787002
Cl       6.93659004       8.68537998       9.78175001      -0.21928596      -0.42641856      -0.27847281
Cl       0.13821795      10.41980003       4.81317998       0.40751909      -0.91359718      -1.47276980
Cl       5.51532001       0.65577597       8.42769002      -0.73287515      -0.72862322      -0.63791059
Cl       2.38870004       1.96739004       9.06457996       0.18907002       0.25511131      -0.25335771
Cl       2.97971004       0.74732604       1.85076002      -0.02986703       0.30852339       0.93235734
Cl       7.56683998       6.55851000       1.31405997      -7.04505430       2.89541597      -0.92012683
Cl       9.03652996       2.29397000       8.38478002       0.54457847      -0.79148718      -2.07003296
Cl       5.53158003      11.38210000       0.19272704      -1.36879709      -0.53824629       1.75867510
Cl       0.34294695       2.28249999       5.73941998       2.13582503       2.28855810      -0.43439071
Cl       7.02651998       5.58655997       5.27549003       0.66485751       0.54179293      -0.56401627
Cl       9.32550996       2.35274003       3.63093996       0.20642007       0.00593635      -0.30742816
Cl       6.20112001       3.88230004       2.31897004      -0.72287491      -1.46711089      -0.06531914
Cl      11.24690003       5.02799995      11.46220173      -1.16376078      -0.57598939      -0.31399617
Cl       3.85149001       8.84325000       6.39883998      -0.13453816      -0.25126261      -0.31377582
Cl       4.46668999       3.86882997       5.79836002      -1.90185450       0.19861664      -1.93506901
Cl       3.03381995       9.69746004       9.46071005      -0.75465946       0.33572636       0.14469843
Cl       3.66354999       8.08735005       1.80872004       0.37288676      -0.13438625      -0.08356343
Cl       5.84580001       1.34570998       5.47378997       0.45076866      -1.08088408      -0.64039140
Cl      10.95110005       8.51790003       9.00197995      -1.29766889      -1.71301329      -1.73094428
Cl      11.43569998      11.10310001       7.53661005       0.32714171       2.32277602       2.05135653
Cl       5.27233001       4.81290002       8.18321998       0.80828046       0.09150276       3.13160638
Cl       9.22137004       5.50524005       8.32999005       0.14897379      -1.18216910      -0.22004229
Cl       9.88485001       6.99622997       2.52609003       1.85527240       0.97240059       2.00666490
Cl       8.86101998       8.10390000       6.25014999       0.97788445       1.06320015       2.72645265
Cl       0.34039901       1.59616002       0.23074604       0.41855720      -1.41991618       1.61106793
Cl       1.05475000       5.47778000       3.00103005       0.88536679      -0.85475123       0.74389997
Cl       2.07951998       6.01301995       9.68368995       0.44459878       0.57244951       0.27092925
Cl       0.52304299       9.38685005       1.33300997      -0.13089991      -0.07635077      -0.15678691
Cl       7.50173995       9.77133999       2.31016995       0.07513626       0.65816740       1.27452014
Cl       8.45443997       2.68556998      11.01949996      -0.74487770       0.38387343       2.75742627
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-226.30791539 stress="-0.0032185377960547014 -0.0020417514820348574 0.005295485940722074 -0.0020417514820348574 -0.0016558213654842518 0.0029544423370979206 0.005295485940722074 0.0029544423370979206 -0.009239776893391553" free_energy=-226.30791539 pbc="T T T"
Li       7.77504999       4.04533001       5.34005995       0.26209008       0.63568410      -2.09951969
Li       3.05392005       3.23404005       9.70451000       0.61557569       0.28540215      -0.25000928
Li       1.68422002       4.39290004       5.59937004      -0.20174262      -0.00040490      -0.49309775
Li       1.57177000      10.84230002       1.48714997       1.58942049       0.09768168       0.89987171
Li       9.46245995       9.51357998       6.49669999      -0.23932804       0.06829650       0.52779578
Li       5.70564999      10.70980000       9.14317998       0.02605124      -0.00142804      -0.31949900
Li      10.79589995       1.44576002       0.12986301      -0.26013614       0.03888206       1.29059993
Li       7.65059996       0.32786695       4.01412000      -0.29569833      -0.23199310       0.29923387
Li       4.90840997       9.87332003       6.42638005       0.63170652      -0.11631018      -0.18764415
Li       7.25486000       7.45318999       4.22826002       0.17045933       1.89275638       0.82113107
Li       5.25742003       5.72951002       0.77606103      -0.14263237       0.04253439       0.04947521
Li       5.28481003       2.83694995       7.31169005      -0.26604702       0.23439386       0.04029452
Li       4.84289000       4.15943995       3.62675000      -0.05925628      -0.08649896      -0.02850721
Li       1.39275996       8.02457005       3.42200999      -0.02187569      -0.28531182      -0.17629069
Li      10.75450003       1.47249999       3.77210996       1.44906677       1.20207489       0.97240612
Li       1.82505997      10.06749995       6.86991000       1.67494007       0.36281917      -1.43776544
Li      10.96919997       8.74434995      10.26180001       0.08310804       0.11113974      -0.07102781
Li      10.29329995       5.26020997       0.24355703       0.02365132      -0.56688333       1.87673981
Li       1.71963995       3.62278003       1.94304002       0.21037907       0.47744768       1.14453539
Li       0.94640395       1.04755994       8.14106995       0.66159783      -0.10794486      -1.43551529
Li       2.55028998       0.89875301       4.80037002       0.01668069      -0.66582846       0.80645990
Li       7.24734998       9.07202005       0.35644797      -0.10356397       0.21419155       0.29017935
Li       5.11554005       9.23114999       2.84497001       0.32353477       1.08003659      -2.96846533
Li       6.04475996       1.43587001       0.14877403      -0.51337674      -0.56254260       0.23335061
Li       7.31980997       5.56932996       8.77813999      -0.47652670       0.02907845      -0.32813393
Li       0.27491986       4.56029997       8.85779003      -0.99017787       0.63181842       1.20282497
Li       8.03320002       1.71329000       8.45060998      -0.07719721      -0.63036852       0.07890731
Li       9.89034999       9.90156997       2.28452997      -1.43468532      -1.81733327       2.06251216
Li      10.20359998       5.66369004       4.10156001       0.90547940       0.27677128      -1.04940097
Li       7.69323997       3.20074996       1.95052998       0.52976635       0.33092074       0.67714640
Li       2.85525003       7.97395995      10.68500001       0.54708334      -0.13487416       0.80941488
Li       4.36953997       6.98123997       6.82241005       0.31609608      -0.32152746       0.20470591
Cl       5.61808995       7.71824002      11.34426111       0.23079543      -0.25436596      -0.15059796
Cl       4.66880995       8.56702998       4.52515003      -0.34644424      -1.65284156       3.60638438
Cl       8.60405995       3.84284996      11.43179995      -0.74953084      -0.50576627      -0.58216542
Cl       1.79040998       1.66062000       3.00092997      -0.52484530       0.10275370      -1.06889005
Cl       7.83254003       9.62620003       3.20727004      -0.86394442      -1.50697936       0.21137624
Cl      10.65210005       6.33025997      10.06390005       0.36482446       1.10526739      -1.64794913
Cl       3.70025999       0.20448802       6.83658999      -0.79523538       0.70342650       0.08723114
Cl       4.86140997       4.91880004       8.67605998       0.25623917       0.75588145       0.49310396
Cl       4.18162001       3.83260995       1.16295996       1.56533988       0.08241218       0.99577906
Cl      11.08104308      10.45220003       0.95046701       2.11108414       0.50903824      -4.10048200
Cl       6.90674003       8.38756997       7.48721998      -0.05814718      -1.41565087       0.11111205
Cl       7.57167000      10.81179999      10.49880004       0.18144024       0.50305541       0.07692479
Cl       3.83637000       4.37190998       5.81354996       1.38705879      -0.10357289      -0.97933141
Cl      10.05380002       3.84579995       2.89456999      -0.15687220      -0.67658408      -0.12988100
Cl       3.15115996       8.91099002       8.73944002       1.09007272      -0.34171320      -0.33222909
Cl      11.05669994       1.31931004       9.59622002      -1.10844948       0.28826617      -0.12568944
Cl      10.81799999       7.52342005       2.04706002      -0.67108282      -0.15168421       0.31562995
Cl       6.46223000       2.13636997       3.67722998      -0.08719115       0.71023702      -0.05336735
Cl       6.86121996       5.62199995       3.65058000      -0.77990969      -1.87674505      -1.04229502
Cl       1.52489003       3.65955997       7.59957004       0.45054810      -1.00554666       0.52284181
Cl       0.37141986       9.67263002       8.08952001      -3.18184135      -0.43326874       1.28860458
Cl       1.66019995       3.69700001      11.35129995      -1.84507697       0.08924620      -1.67387901
Cl       2.90147000       8.02730004       1.75189000      -0.14851907       0.18638892      -0.99766254
Cl       0.14898795       1.08762004       5.90721003      -0.38020008       0.14268286       0.21403851
Cl       5.19395996       1.84814994       9.54892000       0.02819693      -0.54006030       0.07208963
Cl       1.42768005       5.54358004       3.77107004      -0.20297599       0.08700158      -0.04699905
Cl       9.25813003       5.72601995       5.92889002       0.11377557       0.80785048       0.82569304
Cl       4.66834003      11.10139997       1.75707002       0.15077727       0.55709081      -0.61901631
Cl       9.44983996       0.48109095       2.64598003      -1.19312131       1.39197989      -0.32434830
Cl       1.69034000      10.06989999       4.54217001      -0.35434475      -0.58792822      -0.27072756
Cl       7.59432995       3.48576996       7.21225003      -0.36276355      -0.78333261       2.09551563
Cl       6.86013005      11.20441513       6.79942004       0.92590031       1.33078123      -0.21352247
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.90075168 stress="-0.01348422730024148 0.00462981723968494 -0.001344190622956817 0.00462981723968494 -0.020647336854461233 0.0008946498790403521 -0.001344190622956817 0.0008946498790403521 -0.01566169074260405" free_energy=-222.90075168 pbc="T T T"
Li       2.29505005       6.53090000       0.31861103      -0.35764703       2.18956608       0.24659681
Li       8.43754002       4.13079003       9.29916000      -0.43528077       0.86020136       0.50241355
Li       7.42367004       2.75234998       6.04642996      -0.07989192       0.40124576       0.35678020
Li       3.71973998       2.63465000       5.54654000      -1.10563249       0.70690278      -0.46360230
Li       2.59816997      10.96919997       6.77964003      -0.14388096       1.20917138       0.31102850
Li       7.83084997       1.77668002      11.28010001       0.77655687      -0.03182435      -1.43572080
Li      10.92259996       1.36677996       8.13062003       0.73072186      -0.59732528       0.34287860
Li       8.51747001       9.49163999       9.11292002      -0.20639679       0.00587579       0.80535139
Li       6.08207000       9.97295002       6.61008000       0.43887680       0.30192345       0.39166373
Li       2.30895003       5.38132998       8.14064004      -0.20907985       0.00279590      -0.15543471
Li       1.65166995       0.68533501       3.42395995       0.25337022       0.68282024       1.40956351
Li       9.49509005      10.68689998       5.97449997       0.39277043      -0.80698218       0.07922103
Li       0.80319996       8.94602005       1.85832002      -3.60050008       2.94270416      -2.60913845
Li       9.34495005       6.80576002       0.10206603      -0.06512465      -0.40530086      -0.40100595
Li       1.16641999      11.05619998       0.07808596       0.05456416       0.47415058      -0.34161074
Li       1.71118000       4.69152998       3.43058000       0.66262851      -0.33193257      -0.02246786
Li       5.72789001      10.86520003       0.38731096       0.64402679      -0.00490163      -0.43804648
Li       6.15182005       5.84333003       5.23077005      -3.48454756       1.09714340       0.57452961
Li       9.61785002       6.52003003       6.26575001      -0.52108672       0.43342259      -0.02374377
Li       2.64823999       2.84197004      10.66909997       0.50884944      -1.07023468      -0.80029854
Li       5.29519002       2.28469999       8.60373000      -0.64290785      -0.91188459      -0.78364250
Li       6.12968001       0.15941299       3.83684004       2.17892895      -0.44821950       0.85581941
Li       0.83283203       8.20278997       5.08811004       0.23170688       1.76034981      -2.44857078
Li       0.08063264       8.21738996       9.43266005      -0.28131403       0.01584877      -0.27611464
Li       3.73302995       9.22715996       9.92789998       0.19796370      -0.06501113       0.34140012
Li      11.24290003       3.75824999       0.33376601       0.34140376      -0.07864315       0.12070204
Li       9.51327996       3.80888004       3.19245005      -0.63991113       0.06728906       0.10128551
Li       7.75821000       8.52320994       2.73008004       0.16639150       1.45006264       1.52774678
Li       5.91852001       6.09995003       9.30961003       0.01331690       0.75661653       1.90107092
Li       4.38390998       2.05137999       1.51258003      -0.32405812       0.28177026      -1.48183195
Li       6.36886994       4.96653994       0.86240597       0.24283789       0.13269726      -0.34490949
Li       3.62345001       9.60410996       3.18262000      -0.74186333       0.03259599      -0.13673305
Cl       1.00613996       1.42915000      10.45899995      -1.10614371       0.52317963      -1.08633082
Cl      11.14001912      10.41040000       8.02261000       0.43255525       0.07149407      -0.18433969
Cl       2.38361998       9.70261003       5.13796005       0.08972765      -0.28363970       0.05466287
Cl       1.48327997       7.51415004       2.49669000       2.80548861      -5.80751828       2.69738195
Cl       2.59005005       4.62382996       0.18318601       0.76942554      -1.32756760       0.45166528
Cl      11.31958804       5.98834997      10.66719999       0.36591312       0.40351866      -0.31413566
Cl       7.57020005       7.08529000       1.44465005      -0.56610283      -1.60231680      -1.17169936
Cl       5.48213001       9.60030004       4.25034000       1.20076305      -1.06869466       0.11993950
Cl       1.33748001       2.23237999       2.10176997       0.33697397       0.65008566      -0.52155470
Cl       1.68729004       9.01426003      10.83519996      -0.60744656      -0.32121899      -0.51291530
Cl       7.88526002       0.62731497       6.08177995      -0.22827112      -0.05131689      -1.21621161
Cl       9.47963998       8.68726998       4.08252999       0.58970154       0.25227434       0.04956270
Cl       3.55869998       3.64623996       8.13301996      -1.16345376       0.03681378       0.20027816
Cl       4.00072995       4.61893999       4.51751000      -0.02037929       0.48798082      -0.41604131
Cl       6.07195999       5.48552997       7.47490001      -0.12212367      -0.27721896      -1.75747925
Cl       8.48300999       3.93857005       0.28062299       1.19457279       0.23978143       0.65114350
Cl       8.62782998      10.82249995      10.79329997       0.15443255       0.29381791       0.62877241
Cl       1.71424004      10.59470000       2.11078995       1.27226292       1.15972772      -0.02701306
Cl       4.57447005       1.08669005       3.24537994      -3.16986541       0.50588109       1.08440426
Cl       8.51171998       6.77089003       9.27382004      -0.07024624      -0.19046359       0.46414325
Cl       6.04689999       3.36784001      10.16069996       0.42801308       0.97461027       0.91592651
Cl      11.23050003       4.71332999       2.45514998      -0.80294070       0.94531482       0.15006778
Cl       7.83312001       5.09630998       5.03022998       4.05301538      -2.00536093      -1.14868728
Cl       9.12523002       2.52759002       8.10562996      -0.05530524       0.48124820      -0.07284001
Cl       6.70912003       1.29651000       1.38597001       0.20692021      -0.41747939       1.35250576
Cl       8.29941997       9.10954998       7.13347002      -0.71122673      -0.69319839      -1.48620909
Cl       4.86818995       1.23733998       6.44208003       0.80012616      -1.31594013       1.13169278
Cl       5.50622001      10.24259997       9.29955001       1.03410347      -1.36565720      -1.96649881
Cl       1.47302001       1.71842004       5.46973998      -0.18494917      -0.17589979       0.62891369
Cl       4.28132004       0.59216905      10.83889994      -1.84862226       1.78184258       1.13209459
Cl       4.46641004       7.44223999      11.19689995       0.38748685      -0.45148209      -0.20196367
Cl       0.39428101       6.93947995       6.39483998      -0.46019689      -2.50549143       2.66558493
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-220.48421211 stress="-0.023388197320773192 -0.002668670972033697 0.004966522833186008 -0.002668670972033697 -0.019916236572012275 -0.0015043155971134741 0.004966522833186008 -0.0015043155971134741 -0.028063370714740115" free_energy=-220.48421211 pbc="T T T"
Li      11.38289998       0.72651998       0.93048305       0.38466427       0.09511538       0.70139282
Li       3.30923002       6.16643002       9.82540003      -0.37003825       0.24854145       0.47471364
Li       4.99131001       3.25529001       0.15272702       0.21862780      -0.87679353      -0.29341669
Li       6.37500001       0.68113897       9.82339997       0.23326280      -2.27908919      -1.21153102
Li      10.23609996       0.57162700       7.56227995       2.55013178       0.38951887      -1.26467763
Li       4.38548999       9.40287000       0.51978496      -0.23076772       0.28983019      -0.22058936
Li       7.85314994       3.38513995       3.35694997      -0.28949791      -0.13400698       0.38543165
Li       1.05989001       8.06159005       7.19019997       1.37785340       0.15775511      -0.58661608
Li       9.84924000       0.81832799       4.15375997       0.30330453       0.28073190      -0.17567356
Li       6.34431002       0.21141898       2.19932996       0.27971568      -0.03555877       0.59685828
Li       2.22374005       6.07086997       4.07602998       0.71398062       0.74181939       2.33653591
Li       1.44537000       4.13304998       6.79556002      -0.73385565       0.60713369       1.57154927
Li      10.74919998       5.00521997       1.44400002       0.30173055       0.95253193       0.00385005
Li       8.31247997       3.86084005       7.15691997      -0.84488347       1.92717606       1.86264082
Li       7.37536999      11.02440002       5.95764003       0.20058669      -0.01773002      -0.08641268
Li       2.06425002      10.53460000       9.89812002       0.07312775       2.91388775      -0.70908709
Li       5.40123999       5.95936999       6.26891999      -0.37536990       0.01226976      -0.27883549
Li       4.74477995       9.06273995       8.33304001      -0.01598062       0.11099000       0.16900713
Li       4.51706003       2.72060998       5.20290004       0.20287950      -0.45503659      -0.28727161
Li       1.90935005       9.78263001       2.94893006       0.37032469       0.35060718       1.20521909
Li       1.63643003       3.79257003       0.15080997      -1.56871063       0.07499727       1.15052194
Li       2.82013999      11.39920001       6.55908998      -0.09851775       0.20212706       0.35116030
Li       6.77138999       6.19593999       0.18620100       0.39826467      -0.02275824       0.02632438
Li      10.07799997       5.72028002       9.13117998       3.56736238       2.88190026      -2.67668837
Li       1.73312997       2.30672998       3.70299996      -0.00110851       0.01823135      -0.29843078
Li       5.69883998       8.26929001       3.66942005       2.19232861      -1.83182394       2.29467515
Li       9.37759998       9.05231995       2.03444002       0.26564169      -0.40206250       0.50059657
Li       9.47138994       9.40281004       9.90618996       0.31126915       0.41111437      -0.07790298
Li       1.45021997       7.85309996       0.58206901      -0.17212519      -0.35540913       0.23402364
Li       8.42383997       2.95238998      11.31110000      -0.15411294       0.02654564       0.31543994
Li       4.69821996       2.82611001       8.41108997      -1.87993409       0.29967047      -0.89197141
Li       9.60273998       8.16101998       6.53629005       0.27865969       0.53582580      -0.36716025
Cl       3.03321005       9.25846994       6.95775998      -0.35189631      -1.24826048      -0.87109793
Cl       0.84779899       0.39295001       3.34410998      -2.50589786      -0.48018852      -0.78673277
Cl       9.50756995       6.15698001       7.28070003      -1.06737215      -1.62579242      -1.43455406
Cl       9.68838996      10.36099996       5.25730997       0.38700680       0.48670197      -0.15049626
Cl       0.02461060       3.03723998       1.30780999       1.07121073      -1.27399702      -0.85543488
Cl       6.03643999       0.84820597       4.18134005       1.67666071       0.21637448       0.54068038
Cl       9.03138995       2.70845004       5.85649997       2.15268829      -2.28122028      -2.26588218
Cl       1.31632004       0.86039502       8.50547998      -0.87173052       0.19630123      -0.27171685
Cl       1.65763998       9.96829999       0.89802205      -0.36031942       1.76846870       1.03837635
Cl       2.45035001       3.73239001       5.18594001       0.78471482       0.24772940      -0.97540403
Cl       4.33071996       6.57850004       4.09157004       1.10063252      -0.82099192       0.95721721
Cl       7.40179998       8.65634004       6.17167000      -1.54025239      -0.40746950       0.09018960
Cl       4.33809998      11.29036409       8.60501996       1.03948666       0.78765975       0.59044026
Cl       9.72341999      10.74970005       0.81378997      -0.55111034      -0.56852740      -1.11308001
Cl      11.05570003       8.37322999       8.52553994      -1.81827406       1.02656319       1.27770011
Cl       6.34663004       4.30279000       1.31572998       0.86048937       0.15046632       0.73449693
Cl       1.41766004       5.46182000       2.49566005      -0.88681020      -0.78234936      -0.52233151
Cl       9.18221001       4.88546994      10.35380005      -3.24932356      -3.13427554       4.25936161
Cl       5.40770998       7.76589003      10.78569995       0.16814302      -0.19284668      -0.48697956
Cl       1.21253999       5.88156994      11.33680005      -1.06295363       0.49471373      -2.70321019
Cl       9.44740002       6.87275005       1.68866003      -0.61567630       0.31745921       0.02178513
Cl       3.95059000       4.94458997       8.04988994      -0.45072243       1.07063936      -0.96884440
Cl       6.36388998       2.51853003       9.32869003       2.26985895       2.61346538       1.11273954
Cl       6.26528994       3.85396997       6.30527002      -0.64925100       0.11741058      -0.65446780
Cl       3.23974995       0.75204703       4.54942002       0.67348223       0.27180543       1.07997408
Cl       0.65135396       7.20469002       5.28780003      -0.23967572      -0.08014241      -0.24447624
Cl       9.13786996       2.02406004       2.22033000      -1.86345557      -0.24900849       0.32087909
Cl       5.84725999       0.16110695       0.20703504      -0.69677131      -0.56498547       0.88316196
Cl       3.28444998       3.89118004      10.65730001       1.88089154      -0.90059136      -0.89185118
Cl       8.53572997       0.23881104       8.33761001      -2.32225748      -1.01649153       1.54972354
Cl       2.10154997       8.67028004      10.13090005       1.69559302      -3.94510634      -1.87332418
Cl       4.43332997       9.18671994       2.71610004      -2.14592205       2.68843400      -2.14051733
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-222.87346842 stress="-0.008791012817904677 -0.000941661431338744 0.0010781279339461948 -0.000941661431338744 -0.012037332463614488 0.005000741732206408 0.0010781279339461948 0.005000741732206408 -0.018251937514478553" free_energy=-222.87346842 pbc="T T T"
Li      10.88839995       2.28885005       3.90079995      -0.22262463      -0.19302910       0.21255169
Li       9.68362002       8.72378005      11.16849994      -0.42389936       0.39222601      -0.01550685
Li       5.98470994       6.23465005       1.22720005       0.64470734       0.62245146       0.07819798
Li       6.09590005       4.66215001       5.27466001       0.33470690       0.11221471       0.31976102
Li       7.66852001       7.27816998       8.94128002       0.01010377       0.02743598      -0.43365327
Li       3.90165002       0.51045005      11.04139994       0.79416637      -0.45658545      -0.17487170
Li       6.54514999       2.76125005       1.30605000      -0.02293535      -0.30759062       0.20256227
Li       1.42629000      11.03369996       5.48387005      -0.35308642       0.10622134      -0.52371796
Li       8.54068999       1.00235996       6.32515997       1.40039417       0.38196028      -0.25497588
Li       2.63947004       3.68301004       5.34144999       0.12543427       0.29801748      -1.24813415
Li       3.88680997       8.27501000       5.57414002       0.22845327      -0.95446615       0.92222746
Li       0.50971003       0.07071993       0.72958999       0.91684793       0.53852294       0.03863930
Li       9.88740998       5.63108998       0.21086996      -0.13858802      -0.32314593      -0.64955682
Li       6.70145994      10.51099998       8.67169003      -1.71730448       0.16267232      -0.76809330
Li       2.21856003       8.27330996       1.02064995      -0.17783303      -2.49549250      -0.32108741
Li       0.40406600       6.57552001       8.56504998      -0.63340521      -0.82765849      -0.97680736
Li       4.60003000       9.19304995       2.37894004       0.10864189       0.90561861       1.30498688
Li       9.88643999       1.10852997      10.39330000      -0.62689847       0.44895817      -0.28750112
Li       7.31896998       8.62501997       5.28078996      -0.07503029       0.69964401       0.39844518
Li      10.30210005      10.33879996       8.16333003      -0.12064311      -0.24268616       0.20703325
Li       7.26913005      10.45700001       0.86355102      -0.11816714      -0.07065798       0.32066321
Li       1.04167005       2.26891000       8.97478003       0.03886193       0.38810392      -0.00574225
Li       9.08940001       5.48913995       3.73819002      -0.41391850       0.10348067       0.27255989
Li       9.69136001       9.67413998       3.24126003      -0.14688058      -0.02144368      -0.21200076
Li       0.56477297       7.75923995       4.90876995      -0.04058816      -0.47389452       0.15883500
Li       2.40976003       0.94784295       2.96072004       1.43924724      -1.31340688      -2.91822566
Li       6.79882997       4.00902000       9.86818002       0.53988496       0.34454453      -0.52429156
Li       2.72666002       8.93940000       8.83121996       0.45429975       0.03076856      -0.02922211
Li       2.30776004       4.29947006       0.27015301      -0.44101618      -0.44440269      -0.73288689
Li       5.89236001       0.65017200       4.35091005      -0.56930154       0.03246950       0.38902769
Li       4.30079005       1.25395000       7.39615003       0.25215805       0.16736086      -0.28849453
Li       9.29603002       4.29127000       7.27788005       0.28547868      -0.09663289      -0.24316541
Cl       2.83605998       7.08797001       4.13884999      -1.03307099      -0.49546627      -0.45208410
Cl      10.94809996      10.74790004      10.49560001       2.83957300       1.38071195      -7.12121090
Cl      11.12499999       4.37569995      10.19269997       0.30774554      -0.35925845       0.26238720
Cl       2.32051004       1.85617998      11.14170001      -0.80636579       1.16394848      -0.85431998
Cl       1.70982997       6.80207998      10.11449994       1.78474782       0.66648190       1.23197956
Cl       2.24597995      10.17460005       1.03835000       0.72102282       2.43672703       0.33618099
Cl      11.20430002       5.13534000       5.99859995       0.97189024       0.78346880       0.66790984
Cl       6.86108996       6.69343999       4.64842004      -1.06197386      -2.14122206      -0.16176682
Cl      10.83699997      11.35590000       4.12817995      -0.41886573      -0.20705077       1.58476222
Cl       2.51393996       1.21025997       4.76907999       0.12210038       0.84331675       2.96009748
Cl       5.56557002       0.79444904       2.06512004       0.29564489      -0.73593330      -0.44455000
Cl       4.37395004       7.78832001       0.89107298      -0.00482374      -1.45492493      -1.12692975
Cl       6.85364001       8.86110000       2.59926000       0.61439553       1.11925805      -0.52607183
Cl       9.74158995       2.00838997       8.28036004       0.39056518      -0.12826208      -0.25012102
Cl       9.03360004       3.55243005       4.74167004      -0.61819093      -1.26750179      -0.25626723
Cl      10.37599994      10.28019995       1.16100003      -3.00508548      -2.40883838       6.47539352
Cl       5.50987998       2.57097005      10.78330002      -0.11237960       0.24663794      -0.08698459
Cl       1.41780001       9.54812002       6.95876001      -0.54107927      -0.91171573       0.58687240
Cl       8.05475000      10.45360005       7.04736995       2.56275870      -3.08010007      -1.30682612
Cl       9.55565997       7.60320995       4.09532000       1.79541731       0.79170232      -0.04871441
Cl      10.21810000       7.72623005       9.33234003      -0.38575833       0.33706525      -1.15544621
Cl       4.27171996      10.09429999       4.86838003       0.74196230       1.63169861      -1.26930777
Cl       6.66649997       1.18029005       7.00117005      -3.06665772       2.48280885      -0.08506541
Cl       8.06854004      10.52760003      10.16120003      -0.25400258       0.02247487       1.63488522
Cl       8.36763003       4.06987996       0.90104300      -0.25822346      -0.57803546       0.64588377
Cl       7.24176000       5.26270999       7.81417002       0.07969480      -0.43024478       0.42409798
Cl       5.28908001       8.26961995       7.36458004       0.21978503      -0.38582263       0.71067398
Cl       7.96540003       6.81825998      11.12520005      -0.82131241       0.43066666       0.66761557
Cl       0.76097896       1.67553996       2.20111002      -1.79051291       2.14447055      -0.78887664
Cl       5.01505999       2.96223000       4.32256003       0.12607793       0.87689303      -0.02403317
Cl       2.65263000       2.85766006       7.16287005      -0.19015134      -0.04560753       2.71645384
Cl       4.34929003      11.04649994       8.86901998      -0.53619337      -0.26992511       0.83582653
64
Lattice="11.46428009 0.0 0.0 0.0 11.46428009 0.0 0.0 0.0 11.46428009" Properties=species:S:1:pos:R:3:forces:R:3 energy=-223.84031655 stress="-0.012016555958972086 -0.002552360786514356 0.0009329169147741443 -0.002552360786514356 -0.012654662236848939 0.0018488719730043886 0.0009329169147741443 0.0018488719730043886 -0.01378855863529525" free_energy=-223.84031655 pbc="T T T"
Li       5.68608998       5.02098003       5.52801005      -0.64016720      -0.33357067       0.48296171
Li       2.04750002       8.09617996       0.96284304      -0.43391415      -0.29298383       0.02838994
Li       5.92947997       2.08127000       0.90419706      -0.41535607       0.01203385      -0.21538956
Li       7.04568997       1.70436999       5.56635005      -1.10520517       0.49745732       1.07442082
Li       3.70824005       2.52215996       3.35118998       0.18132697       0.77929141      -0.54862944
Li       8.11432998       7.66002004       8.96051995       0.23757936       0.16224580       0.16078148
Li      10.83390003       5.72807997       7.74321999       0.13391438      -0.23589379      -0.08679825
Li      10.94519996       2.77423002      10.97859999      -0.24323936      -0.36928123       0.08863312
Li       6.91368005       8.69477003       6.05674002      -0.41449259       0.45791832      -0.48944525
Li       2.18620004       4.85598003       9.47210004       1.32360021       1.48879369       0.45038987
Li       1.04762999       0.83967001       7.80319996      -0.93544640      -0.06423501       0.08670763
Li       2.17763003       3.79623001       6.20007997      -1.13854886      -0.32101473       1.17306779
Li       3.55416999      11.09100003       5.17626003       0.25476716       0.35472353      -0.75360496
Li       8.84012999       1.37479005       2.08074001       0.84665148       0.75703485       0.34936242
Li       0.82364398       3.91366000       1.72761003       0.46187567       2.16437689       0.44522771
Li       7.17906999      10.49890000      11.12539998      -1.56383328       0.72704623      -1.02714229
Li       5.34720999      10.34440003       2.29379001       0.23997113      -0.30523505       0.09334209
Li       9.21280003      10.82609996       8.27584999      -0.72290929      -2.01459074       3.30260504
Li      10.59729998       8.86756998       4.53337003       0.05050643       0.35323530      -0.46155628
Li       5.10957002       0.08734520       8.01184000      -0.13476072      -0.06313995      -0.17328887
Li       1.76393002      11.37830005       2.41461997      -0.29430814      -0.42161062      -1.31595821
Li       2.77438995       0.01201995      10.78559998       0.95176969       0.45853427      -0.13243634
Li       1.10956003       8.27641999       8.93914996       0.40740636      -0.72725914      -0.00263715
Li       7.50481995       3.65611002       9.34040997      -0.16071434      -0.22246295       0.04183255
Li       4.10732998       5.63838998       2.82853998       0.03566510      -0.10509522      -0.15600294
Li      10.36829996      10.38480004       0.41112800       0.34395235      -0.01466945      -0.71159012
Li       7.63760004       5.11793998       2.64152994       0.59146220      -0.16970172      -0.63689173
Li       4.70630996       8.27078002       9.91614004       0.25717000      -1.65589200      -1.61763404
Li      10.48130004       1.03377002       4.89477997       0.17293612       0.56951293       0.69446127
Li       9.28346998       3.92780004       5.21363003      -0.34718947       0.18649617      -0.50712878
Li       2.48542004       7.92831997       5.46728995       0.57023251       0.76580105       0.21823508
Li       9.28443998       7.51438001       0.77216203       0.61275156      -0.35895293      -0.18773886
Cl       9.83665004       4.43040005       2.19158997      -0.02766281       0.29118458      -0.28275885
Cl       9.63833004       9.25129995       2.18413005       0.36310389      -0.11579900       1.70326719
Cl       5.01886005       1.38198996      10.40719998      -0.24697100       0.21559122      -0.73662352
Cl       5.90937999       8.22681004       3.76356002       0.08880679      -0.02953956       0.07139388
Cl       9.18334004       1.06618000      10.80190001       1.10220110       0.75198679      -0.92320826
Cl       5.95892001       3.80677003       2.30878999       2.35058661      -0.36901410       1.08152469
Cl       2.90810002       1.01413996       6.81551004       0.25531836       2.30188159       0.17341451
Cl       3.08050995       6.77881002       9.60824994       0.27924091       0.70041129       0.38395834
Cl       3.29513996       9.74013995       6.72145995      -0.16396185      -2.43599852       0.88579573
Cl       6.64599003       9.59806003       8.20607998       0.20522656      -0.77211566       0.39404600
Cl       3.18569002       4.24091006       4.51938006       1.15633121       0.66564243      -0.58710372
Cl       0.58257298       0.15092599       4.01395996       0.05290588      -1.13116717       1.07913183
Cl       8.66630995       1.90964996       4.47533005      -0.08811333       0.45791191      -2.41857033
Cl       9.87614999       7.71464000       7.42262003      -0.12868927       0.08447977      -0.86782238
Cl       7.27037003       0.29406899       1.23424004      -1.71445732      -0.21244926       2.29956055
Cl       3.73108997       0.53492595       2.74403998       1.27276007      -0.69696185       0.13255313
Cl       1.93804996       6.29027004       6.58610005      -0.96610263      -0.94072788       0.93812212
Cl       2.43158000       8.41823004       3.41387001      -0.27928513      -0.22835208      -1.04306304
Cl       1.56797005      10.16780002       0.43491902      -0.45563009       0.35856160       1.06905992
Cl      11.28740001       9.77624005       9.59002999      -0.55426897       1.87340350      -1.16102260
Cl       8.40633000       5.56540998       9.82114999       0.18412550      -0.03667343       0.25148703
Cl       6.40871004       3.92154995       7.45928004      -0.39580599      -0.52223502      -0.43448656
Cl      11.35330001       7.14952001      11.15429994       0.62985889      -0.80683413       0.41417240
Cl       0.49888202       2.02230004       1.51423995      -0.32618865      -2.04780562      -0.85940164
Cl       8.43956002       9.03708999      10.86139997       0.56822741      -1.53165345      -0.68388291
Cl      11.13849999       3.33509997       5.88612997       1.38563599       0.27774688       0.79704987
Cl       7.60641995       5.22318001       4.72528999       0.49044207       1.05090420       0.71811220
Cl       6.20073000      11.28819998       5.74676996      -0.71971079      -0.16910135      -0.41324052
Cl       4.59454996       9.79825995      11.05729998       0.30892528       1.36849084       1.80393204
Cl       1.07322996       3.30448003       9.30785004      -1.55131712      -1.99321533      -0.32374615
Cl       9.73356003       0.26045297       6.76962002       1.25970712       1.06733648      -1.84207431
Cl       3.61343000       3.99830995       1.31369002      -3.45869235       0.51519775      -1.28612211
72
Lattice="13.09560756 0.0 0.0 0.0 13.09560756 0.0 0.0 0.0 13.09560756" Properties=species:S:1:pos:R:3:forces:R:3 energy=-248.76673409 stress="-0.006589945030360038 0.00021681700100363867 -0.0007475775607073445 0.00021681700100363867 -0.004922021896725957 8.05466627865052e-05 -0.0007475775607073445 8.05466627865052e-05 -0.0009174382592513736" free_energy=-248.76673409 pbc="T T T"
Li       0.31960197       8.26024999       1.77254994       0.24101155       0.97087884      -0.38032549
Li      11.74310002      10.94029999       4.67329000       2.21880275       0.79080844      -0.39757707
Li       5.35194001       6.08036995      11.54140003      -1.02587598       0.21677690       0.76413187
Li       1.34296006      12.96775750       3.03195006       0.58906302       1.87218352      -0.32750352
Li       8.89247999       6.32310005      11.13469996       0.55691188       0.06175679       0.28009431
Li      10.69740004       6.20962006       1.61819005      -2.60368413      -0.43031280      -1.55463882
Li       3.61879999       3.79282005       8.51965001      -0.26678290       0.24059792       0.10697556
Li       2.10853006       3.34822994       4.51522995       0.08232813       0.47337968       0.95505306
Li      11.66659993       5.97264993       7.81851995      -0.27921855       0.83996313      -0.39477164
Li       0.08639749       9.72278001       9.42619004       0.15711436       0.30634869       0.08845343
Li       4.88503995      11.47620001       6.06282000       0.51923539       0.38399531       0.02525902
Li      11.60929997       1.70417004       7.77911998       0.47555266       0.56279174      -0.17237767
Li       5.79564001       5.18543001       4.13470996       0.19487337      -0.10822714       0.60971900
Li       7.02054002       5.61834997       8.10281001       0.13081733      -0.16711469      -0.44823967
Li       8.14840001       1.60434995       6.13599001      -3.36398470       2.02786234      -0.50747820
Li       7.53277000      11.63930004       1.64840999      -0.50242707       0.01011052       0.15172889
Li       2.19156996       3.47998000      12.36349998       0.68817839      -0.62473506       0.09671775
Li       3.96993003       9.97533993       1.95747000       0.34094493      -0.01604993      -0.11487210
Li       2.38636005       8.21233997       6.25041000      -0.73844576      -0.42245532       0.00073032
Li       8.87294003      11.49509999       6.57078002      -0.16488998      -0.14550352      -0.06798180
Li       3.59506001      12.50439994      12.77599996      -0.35756512       0.14982196      -0.27884728
Li      12.47710005       5.81589996       4.49702993       1.22175597      -0.35201824      -0.38619748
Li      12.83529360       0.64051599      11.16969994       0.90832152       0.07947039       0.09800827
Li       7.19817997       7.47140005       1.43799003      -0.15764352      -0.63756311      -0.43499414
Li       8.32851005       1.06611996      12.18489999       0.34729798      -0.19328230      -0.71089668
Li       1.48153005       6.27760001      10.92569996       0.28149899      -1.14844964      -0.05744569
Li       9.66050005       2.86235998       1.54364998      -0.24618549       0.60213905      -0.43339672
Li      11.24349997       9.23678001      12.10790004       0.77992445       0.18971499      -0.79484998
Li       6.51686004      10.30209996      10.26269999      -1.02677256      -0.44559604       0.02343053
Li       3.33743994       6.43193005       2.35096996      -0.17000872      -0.53840455       0.03586070
Li       9.39870000       7.93348996       5.58531002      -0.15927551      -0.29768418       0.12569771
Li       9.45060994       9.38256005       9.23329003      -0.12116423       0.80815521      -1.52817006
Li       5.76856000       1.21405004       3.77219997      -0.18825280      -0.28194698       0.03449220
Li       5.80311996       8.23808999       5.07510999       0.23388126       1.17285440      -0.35126269
Li       9.41834996      12.64760002       9.54615994       1.49848920       1.41552523      -0.86227773
Li      11.51990006       3.93984994      11.00569998       0.15319563      -0.19528785       0.73343083
Cl       2.62032997       1.28700999      12.29500000       1.04983158       1.90221474       0.45592190
Cl       8.36440996       5.61504006       1.97133995      -0.28752395       0.03209525       0.78511386
Cl       9.43338005       8.59918998      11.09460003      -0.56091877      -1.17063999       0.73909992
Cl       9.73833995       0.80260897       6.60141995       3.54523749      -1.72352504       1.23779298
Cl       3.82177994       9.67451995       5.82552995       0.41455733       1.14554011      -0.43251903
Cl       1.89110002       5.67091993       4.33344995       0.08001518      -0.09549603       0.10527792
Cl       7.07562002       3.68623006       6.71856003       0.13928880      -0.13549567       0.37988354
Cl       4.86157996       6.84037000       0.56990198       0.44974893      -0.16648953       0.10599234
Cl      11.06810002       1.45736996      10.99510000      -2.37854772       0.82055501      -0.29160038
Cl       1.76802999       2.09875000       2.91176002      -0.29494806      -0.93559167      -0.86611824
Cl       0.67823697       8.06269004      11.18719999      -1.13633038       1.97884885      -0.07274906
Cl       4.80989997      10.83340002      12.16580004       0.56239287      -0.56829593      -0.12899940
Cl       8.80541004       6.75881998       7.44089004      -0.82460781       0.57207069       1.00241071
Cl       4.78375996       6.86473005       6.14254004      -0.05784001      -2.01178595       0.50431853
Cl       7.00588997       5.56921002      10.44920004       0.43474217      -0.42617336      -0.62642450
Cl       2.49855994       8.35286003       2.48170000      -0.24792388       1.00877861      -0.08299614
Cl       6.76136996      12.92159051       5.67679004      -0.42653931      -0.09520235      -0.36054258
Cl       7.93530999       1.40092999       1.15184001       0.05291760      -0.41120386       0.57027398
Cl      11.11079996       6.55767001       5.82889997       0.73823143      -0.07264631      -0.54150250
Cl       3.40382001       5.21984003      10.64570002       0.57344160      -0.63769550      -0.81686113
Cl      11.05570006      11.38239998       9.29708005       0.69992279      -0.87048575      -0.36235073
Cl       6.89411005       8.67185999       3.12812997      -0.13853315       0.58903191       0.70068974
Cl      10.16939994       9.92384997       5.12758999      -2.05854700      -0.19731040       0.51493803
Cl       0.50909698       4.66792002      12.11490003      -1.10593701       0.08454813       0.13886786
Cl       8.02455996      11.66409998      10.40480004      -0.86315833       1.15685162       2.77254188
Cl       0.15352099       9.49242998       7.20158994       0.48244024      -0.51709513      -0.06598740
Cl      11.75330006       4.24690003       8.87250002      -0.12992855      -0.89624006       0.34467203
Cl       0.59609241      11.20739997       3.45474005      -0.84653009      -1.40286015       0.33617549
Cl       1.04813995      12.31070006      11.42359994       0.05880693      -2.88236316      -0.34342664
Cl      10.02180001       4.41894004      12.88200000       0.48218305      -0.15950381      -0.71284525
Cl      12.30050002       6.69269005       2.49790006       1.74911059      -0.57735138       1.39330361
Cl       5.36455003      11.90230005       2.45779004      -0.01875780       0.28235646       0.02627514
Cl       7.41520994      10.22389993       8.03530006      -0.11033747      -0.68621248      -1.07759624
Cl       4.87343999       3.18314003       4.41850003      -0.26161184      -0.13165055      -0.48711122
Cl      10.82969999       8.98797002       0.96778805      -0.15987434       0.15944289       1.12853763
Cl       0.78653398       2.72586001       6.64771999       0.14850513      -0.13152390       0.10186432
72
Lattice="13.04106286 0.0 0.0 0.0 13.04106286 0.0 0.0 0.0 13.04106286" Properties=species:S:1:pos:R:3:forces:R:3 energy=-248.03154777 stress="-0.0039749524661145275 0.0016391034895320824 0.0006828428125818775 0.0016391034895320824 -0.007996938261152787 -0.004984396505556599 0.0006828428125818775 -0.004984396505556599 -0.004651776004744458" free_energy=-248.03154777 pbc="T T T"
Li       6.29916004       5.77868001       5.31187999      -1.12650725      -0.31979983      -0.39526981
Li       5.96583999       9.22135002       5.13995000       0.32518011      -0.33748662       0.30179048
Li       1.33691004      12.11059998       7.83710002      -1.52597721       0.51115234       1.68037536
Li      10.01529997       9.27294999      12.30310002       0.45553656       0.81468294       0.79177954
Li       3.54395995       9.26544003       8.07914006       1.38128459       6.40629045       1.31693619
Li      11.70229995       9.33269997       9.46943003       0.02266194       0.18856683       0.14845082
Li       3.33407005       2.29557004       5.98930999      -1.03952459      -0.09130612       0.11842169
Li       3.28532999      11.30120002      11.28230000      -0.49442876       0.18900700      -0.65623814
Li       8.40884003       6.28032001       8.90246995      -0.86829128       0.44738695       0.51974897
Li       9.22274998       1.21443998       3.99881006      -0.58774832      -0.68799646      -0.07636647
Li       4.79640003       5.77603997       9.28079001      -1.16621362       0.14816537      -0.00345090
Li       4.46312002       9.25184003       2.25133997       0.21772580      -2.72685025      -5.32610123
Li       6.06584995       8.93723000      10.98770004      -0.13964017      -0.02305339       0.17601209
Li      11.62509999       5.15795006       4.08595005      -0.32640922      -0.33687715      -2.14869839
Li       5.49473994       4.88486994      12.24219995       0.43960882       0.75865213      -0.02477701
Li       6.82724001       2.20212000       7.75971996      -1.04109745       1.88719258      -1.47933592
Li      10.37680006       7.30740999       6.77216004      -0.51073673      -0.98939184      -0.58422985
Li       2.53102995       8.15224995      12.38680004      -2.97408086       1.16546666      -0.43067838
Li      11.60399994       1.40797001       1.48723006      -0.16838552       0.04687731       0.25973230
Li      12.93569994      10.97129999      12.41529998       0.05026678      -0.18357610       0.22140247
Li       9.10510003       4.38851001       0.41871906       0.04344928      -0.51980783       0.23195167
Li       2.06927996       0.00113718       1.86966002      -1.05001680      -0.65354235      -0.51520981
Li       6.25955994      12.02880004       7.95317004      -0.91466803       0.61751379       1.18623910
Li       3.78887998       1.83536006      10.23589998       1.16415959       1.00376947       0.00671464
Li       9.04090997       0.58495700      10.41829998       0.49041053      -0.21025348       0.51658173
Li       7.70904995       6.94939004       1.14198996       0.12897885       0.46404341      -0.36922208
Li      11.69919996       7.70599000       2.08017003       0.33905375       0.65353965      -0.61999935
Li       0.72952306       9.69038998       4.36646996       0.78863664       5.19293144       2.22167650
Li       8.91978001      11.42040003       5.41692001       0.12746236       0.26893876      -0.18290718
Li       5.87123999       1.43364994       1.96981994       0.55652790      -0.04140827       0.10664792
Li      12.86750001       3.30383004       6.30245995       0.40226047      -0.65726016      -0.07681468
Li       2.26692000       6.25545996       5.96275996       0.29436850       0.35285380       0.16633300
Li       4.38344995      12.38389997       4.15758995       0.12930825      -0.61916115       0.57767939
Li       8.42930003      11.02549996       1.64969002      -0.47970678      -0.03178512      -0.30386993
Li      12.41409994      12.71009999       4.98934998      -1.18244334       0.91148456       1.26741199
Li      12.99410004       1.18788003      11.08939999       0.15833908      -0.26049936       0.62228000
Cl       0.85917900      12.14199999       3.97860997       2.16163009      -1.38553164      -2.05722090
Cl       4.51756997      10.02130004       3.80989996      -0.78973209       4.74433264       4.59534866
Cl      10.92209998       1.53655997      12.42819994      -1.86026471       1.03649777      -1.75336670
Cl       2.98290996       7.67638000       7.76381994      -1.62010586      -6.89618859      -1.74169902
Cl       4.98892002       7.31263998       4.13464994       0.46087738      -1.81850763       0.30579212
Cl      10.84640000      11.14109998      11.06619994       0.33006147       0.25913877      -0.41126212
Cl      11.22889998       9.10723994       7.06504001       0.42148719       0.91852181       0.33358934
Cl       7.61181996      12.12979994       3.21127996      -0.08313419       1.04473839       1.17253367
Cl       5.72097004       4.27246998       8.21425003       0.87523681      -0.81310819      -1.05307398
Cl       7.79114005       5.56755993      12.10670005       1.11130471      -1.39915880       2.31976376
Cl       3.79885000       0.85692694       2.72821004       0.70488349       0.81124392      -0.03318645
Cl      11.54360000       5.13199000       6.03764004      -0.22638498       0.34868929       2.01318432
Cl      10.55609994       0.02303717       5.83841003      -1.98974317      -0.28074315       0.08450326
Cl       4.20160002       7.33167002      12.70440000       2.15707078      -0.80339352       0.91672024
Cl       7.26436001       0.78634805       9.01323005       0.79854371      -1.31132120       1.48147371
Cl      10.00429997       6.14117004       1.80199998       0.12068256      -0.00414125       0.46715141
Cl       7.02556002      10.87459999       6.51240998       0.44644574      -1.11162564      -0.95295093
Cl       2.45681001      11.36679996       0.22173719       0.43521778      -0.86477869       0.30859929
Cl      10.32280002      10.32750002       1.37643006       1.37418142      -0.71108110      -0.01042352
Cl       2.05172003       4.00959997       5.59799999      -0.53021912       0.40349557      -0.01975847
Cl       8.00757996       2.36604003       1.59248005      -0.56093890       0.15935103       0.00701419
Cl       0.10273606       8.24957006      12.73171985      -0.02641778       0.27003762       0.21613180
Cl      10.83660003       2.48574995       3.58311001       1.18729367       0.82696456      -0.47102952
Cl       7.81621006       6.71791000       6.27308000       1.68252761       0.61978277       1.15413109
Cl       1.53760000       9.86761998       9.47112002      -0.59547793       0.40314974       1.02127156
Cl       9.57719994       8.00807005      10.75259994      -0.14365544      -0.88329700      -1.52384650
Cl       0.52213716       8.11598002       3.62394001      -0.96343930      -5.16498527      -2.16872530
Cl       0.15931002       0.34915294       0.34477401       1.34523100      -0.43065086       0.72707004
Cl       4.05530994       3.87892004      11.06230001      -0.44880583      -0.27615038      -0.00232749
Cl       2.82307999      11.31370001       6.98123997       2.81385054      -1.05220749      -1.88691828
Cl       5.04172993      11.25089999       9.93184004       0.64728714      -0.70309992       0.03795308
Cl       6.97919004       9.46587999       1.13060003      -0.53218000      -1.01473585      -0.47902594
Cl       5.28984998       1.81258998       5.95240000       1.37939179      -0.75991593      -0.15773060
Cl       2.22070000       0.63902095      10.23319996      -1.59851578      -0.96864490      -0.04728926
Cl       0.46053601       0.71635002       6.76576001      -0.05426730       1.47217478       0.21626305
Cl       6.22377996       6.72606002      10.42699994      -0.34926631       1.99668837      -1.85365633
72
Lattice="12.90098484 0.0 0.0 0.0 12.90098484 0.0 0.0 0.0 12.90098484" Properties=species:S:1:pos:R:3:forces:R:3 energy=-248.28638798 stress="0.0017889073793679964 -0.0003594961332742473 0.0018968336390294681 -0.0003594961332742473 -0.014151661505757506 0.0022886450422482663 0.0018968336390294681 0.0022886450422482663 -0.008332658613713807" free_energy=-248.28638798 pbc="T T T"
Li      11.98039998      11.85020001      12.04789999      -0.44467455       0.62282817      -0.26940596
Li       4.71419996      12.54959994       3.70761003      -0.45729102       1.25672638      -0.25799689
Li       0.59953702      10.92719995       2.68977006       0.02357029       0.02863907      -0.17372681
Li       2.15083994       1.55947002       5.47084001       0.05887627      -0.98056756      -0.61719190
Li       3.65197002       0.61465504      11.86580001      -0.56965380       0.85790482       0.50694971
Li       6.47504996       7.09263997       6.28097000      -0.53517294      -1.90429318       0.51474880
Li       7.90591006       6.99198997       9.64061002      -0.62334481       0.91824365       1.79536511
Li       9.50451005      10.24909994       6.89010999      -0.97444557       0.19059224      -0.09777982
Li       7.74623999       5.23649001       0.45931996       0.32422203      -0.26851011       0.50330237
Li       2.70397998       7.36188998       6.42629998       0.04558598       0.70692308       0.71370461
Li      11.22900005       0.26524696       8.62597001      -1.12813195      -1.51728387      -0.77294757
Li       4.42394999       1.98667994       8.84524999       0.31570072       2.92771870      -0.77035233
Li       0.09733664       2.63828004       2.22246001      -0.70325710       0.22738039      -2.67235528
Li       0.47680905       6.98183999       0.67067098       1.18293392      -0.20226837      -0.18715766
Li       4.62277997       3.68554999       5.68807995       0.56519175       0.20816070      -0.27896902
Li      12.82659995      10.17539997       6.39908999       0.55545291       0.18637869      -0.42431548
Li      12.04789999       7.25297999       7.94662995      -0.01423061       2.41637883       0.05268064
Li       7.77502002       0.79703497       6.37048000       0.31158198       2.36050328      -0.66134684
Li      11.20170001       0.85555603       5.23117003       0.57352641      -0.13849970       0.45832107
Li      12.66730001       9.18468999      10.25820003      -0.15856404      -0.60242874       0.08008545
Li       0.78088900       3.53901003       7.62638997      -0.71558754       0.37859009       0.43886745
Li      11.30320006       2.54022004      11.01849997      -0.95167012      -0.08403193      -1.38717520
Li       4.98691994      10.31550002       6.57378997       0.62385768       2.17322937      -1.17459564
Li       1.63854996      12.61360005       8.80224997      -0.30051717       0.14671450       0.01840874
Li      10.42470002       8.52171999       0.11325104      -0.10611645       0.16205033       0.23804483
Li       7.45170999       3.91721995      10.33690004       0.16535873      -0.64479243      -0.77602854
Li      10.54589999       8.31220000       3.68227998      -0.27471647       0.92182726      -1.84649540
Li       9.62074005       1.58346998       0.64434898       0.00212814       0.08616968       0.20594473
Li       7.75087996       9.76494997       3.28398994      -1.19210681       0.56881648       1.24914407
Li       0.56747498       5.42043999       4.23156005       0.12962291       0.06369887      -0.26422303
Li       3.00296998       8.41779998      10.57850001      -0.45246497      -0.41555953      -0.50571325
Li       7.80125998       0.12039405      10.64419995      -0.53345758       0.44528699      -0.86317668
Li       1.17426996       4.05648001      11.84089995       0.76152118      -0.01045041       0.57269404
Li      10.11870001       5.30229006       6.67901995       0.16427142       0.05801485      -0.43485734
Li       4.84538994       3.22154995       1.77668003      -0.22929248      -0.53512677       0.08271804
Li       7.62118003       2.92025003       3.31831004       1.13807021      -0.98150917       0.52037345
Cl      12.50460002       1.22694997       9.67403002       2.01995773       2.56215547       1.15273536
Cl      11.84060000       2.40564006       0.03528161       0.64148638       0.23506217       1.41147720
Cl       5.95973006      11.04930004       3.26372998       0.61123908      -0.71325917      -0.38604254
Cl       6.93291004       5.67888000      11.42929996      -0.27589522       0.77589704       0.04758563
Cl       1.38802999       7.32597996      11.59320001      -0.14043897       0.31188284       0.18321979
Cl       3.30189999       3.11847005      10.94520005      -0.46826055       0.03183035       0.14448739
Cl       4.73807001       8.49412995       7.16964002      -1.48539791      -2.33029273       1.50768655
Cl       3.67277995      12.62209999       5.59548997      -0.38914847      -0.09981365       0.83067471
Cl      12.20980000       5.36999004       7.95086006       0.43977249      -3.47752479      -0.22405401
Cl       1.62734003       5.09461001       1.31349003      -0.21679922      -0.56935781       0.07775651
Cl       1.66993999       7.74368004       8.58156005      -0.17267990       0.58943623      -0.57864589
Cl       2.69114995       5.71442996       5.13036006      -0.02769086      -0.07902145      -0.74481710
Cl       0.89704599       9.55161000       4.39058004      -0.21599905      -0.02193083       0.26540030
Cl      10.08339995       8.24372002      10.83160004       0.23286437       0.21823054      -0.09455995
Cl       7.63715997       2.99874994       1.33032001       0.24688286       0.48709669      -2.45443863
Cl      10.12760001       1.12333997       7.10089996      -1.60625798       1.69963557      -0.57704324
Cl       2.65953996       3.14406999       6.74156999       0.71901857      -0.39897386       1.09533532
Cl       5.71341000       2.17344001       3.65043996      -2.25376580      -1.70624861       0.37220882
Cl      12.62040003      10.52759995       0.65404097       0.04866705      -0.36890665       0.51405240
Cl       7.85195001      11.92730004       7.05937001      -0.46643999      -2.77133788       1.07957420
Cl       2.70516997       1.12021999       1.29773006       0.56700133      -0.13311829      -0.48309054
Cl       8.99367001       6.09312998       8.33531998       0.46387183      -0.75993401      -1.40731392
Cl      11.53839998       7.11733994       1.45901998      -1.04453003      -0.07635724       0.65132995
Cl      12.48919998      12.35750002       6.88800004       1.41829633      -0.38893713      -0.60188165
Cl      10.88909999       6.79407003       4.85379003       0.58519672      -1.80705931       1.56648335
Cl       0.70700106       2.35141000       3.99706995       0.77069195       0.08143151       2.73003890
Cl      10.64709996       1.27057994       3.27971004      -0.79044148       0.04273923      -1.09711810
Cl       0.26870803      11.35219994      10.16700001       0.49023688      -0.98070604       0.12035256
Cl       8.74041994       8.81103000       1.86379006       0.96006758      -0.63493771      -0.77684854
Cl       4.18511999       0.26270404       9.66256995      -0.36782768      -2.95655634       0.74029789
Cl      11.27970001       9.34812006       7.65719004      -0.06432695      -0.36386222       0.39230244
Cl       7.11678997       8.79959005       5.66402994       2.43925746       2.15267813      -1.49407751
Cl       6.19683003       3.67548000       8.34470997      -0.42615742      -0.55499934      -0.26852316
Cl       8.93791002       2.15472997      10.68879995      -0.58441811       2.73453546      -1.43729610
Cl       9.28652005      12.83829999      11.97019994       1.62463419      -3.16566992       2.28090458
Cl       7.19168999       4.44030005       4.46621994       0.14055621       2.80873909       1.94630456
72
Lattice="12.76697603 0.0 0.0 0.0 12.76697603 0.0 0.0 0.0 12.76697603" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.37077874 stress="-0.00045259174337341574 -0.0027762975269099623 -0.0016623193444616265 -0.0027762975269099623 -0.00010260750148626811 -0.001418303444513725 -0.0016623193444616265 -0.001418303444513725 -0.0008868373883089932" free_energy=-252.37077874 pbc="T T T"
Li       4.54841995       6.56996004      10.09240001       0.45174421       0.04315678      -0.09229334
Li       5.73305004       4.20189000       7.12869998      -0.42509979       0.34573924       2.11953586
Li       5.71670001       0.34860100       8.56029994       0.45032290       0.15259524      -0.11720060
Li       2.95532004       8.62642994       0.67019794       0.00997768       0.39184162       0.22451518
Li       1.01552996       0.52174099       1.04321004       0.26328461      -0.13165623      -0.39569182
Li       7.60820002       4.03197994      10.07339994       0.07646453      -0.39722970       0.36664948
Li       5.73070002       3.01378002       3.36152998      -0.10790810      -0.32094040      -0.31425930
Li       7.54174000       7.26030005       7.28627000      -0.36897064       0.16137761      -0.22269984
Li      10.71799996       1.61361006      12.36520006       0.05656078      -0.27559866       0.38416769
Li       8.38702003      10.97770004       9.96164996       0.85716718      -0.48756172       1.03564469
Li       0.41215897      11.02750006      10.28449997      -0.36655169       0.11562636       0.27710034
Li       9.04050000      10.59359995       0.79836599       0.26969268       0.18082519       0.18433435
Li       8.26922004       0.61132303       1.86995996       0.92139607       0.29879642       0.46576446
Li       7.34051994       3.82164005       0.72380494       0.73868169       0.56074175      -0.35056515
Li      12.50499998       9.82128995       2.93457996      -0.14408566      -0.46020023      -0.12335930
Li       1.84769997       2.35174005       3.39714001      -0.09560654       0.35891762      -0.01103663
Li       2.58766994      11.40050003       3.65961002      -0.41640042       0.26439328       0.84398300
Li       2.90824999       7.88338006       6.76437006       1.46472116       1.10423021      -0.24216034
Li       1.28939998       5.88060998       4.46042995      -0.08684181       1.36527153      -0.20432237
Li      10.15409999       7.49001000       3.95332004      -0.17309285       0.36211073       0.48290488
Li       9.08464003       4.42724003       5.36529997      -0.21516241       0.49466510       0.15686818
Li       2.09257006       3.21936000       7.37588000      -0.03559772      -0.05977956      -0.50653686
Li      12.20529994      10.31299995       6.73668998       0.08857274      -0.56265339       0.21356503
Li      10.08120005       1.97597003       9.02787001      -0.10911655       0.13359360      -0.33909584
Li       2.13834005      12.06599998       6.94660996      -0.07658568       0.13373134      -0.45937697
Li       0.96721500       3.58785999      12.43529995       0.04325346       0.07899572       0.27102301
Li       3.20009999       1.39521995      10.41720005      -0.63905752       0.65215102       1.07456957
Li      11.27910000       4.54873006       2.22398003       0.72341081      -1.70877956      -0.69943110
Li       4.87094006       0.45315998       1.35885999      -0.87412619      -0.22756205      -0.13141058
Li       4.50501006       7.64840004       3.63451001       1.79980921       0.61288563       0.27027993
Li      11.60660001       8.16353003      12.26190003      -0.39172234      -0.17236315      -0.29887117
Li       7.57771006      11.07700005       5.93704997       1.54792720       0.74698461       1.16760050
Li       6.40353000       9.85105003       2.27610006      -0.49258236       1.12414501       0.77364945
Li      11.32469994       0.09682398       4.05217002       0.23183546      -0.49927856       0.06350315
Li      11.83259999       5.78628003       8.01965004       0.45745753       0.24263739      -0.35806743
Li       6.69821006       7.83869999      12.45659999       0.40244492      -0.55073401       0.42082625
Cl       0.29464304       2.85211998       1.80565998      -0.38298629      -0.61403423       0.42022179
Cl      11.66389998       5.14498001       0.35621804       0.43678986       1.20791085      -2.14225534
Cl       1.26863998       6.86453005       7.16617999      -1.76104037      -1.21179135       0.30751518
Cl       7.83215998       1.75037003       9.11757002      -1.95831733      -0.50806615      -1.64566837
Cl      11.53850006      12.10329997      11.62919998      -1.33599848       0.45764851       0.37355045
Cl       6.55996005       1.96057995       1.35185998      -1.61001727       1.38457430       0.52367264
Cl       2.20258003       3.52472998       9.48041003      -0.33598803       0.33771496       0.88199917
Cl       2.35290006      10.01169995       5.79148002      -0.03818476       0.19035974       0.10007216
Cl       5.30225996       7.32338998       7.47349004      -0.45970291       0.20828656       0.09531234
Cl       5.63809003       4.59249002       9.21458997      -0.22686531      -0.11284712       0.13160402
Cl       7.58054995      11.53240000       8.17341001      -0.56509811      -0.23957315      -0.81835143
Cl       1.65037997       4.05832995       5.20879000       0.25394671      -1.55187545       0.40022265
Cl       3.39644996       0.66542500       8.50003994       0.80281171      -0.73614831      -1.57868845
Cl       9.43269997       2.57245005       1.83543001       0.78161791      -0.11736619      -0.02653648
Cl       0.25532101      11.87820006       2.81777004       0.67210225       0.92219165      -0.17976876
Cl       3.67128005      10.84960004       1.95738004       0.42511619      -0.49954859      -0.82932708
Cl      10.31870002       4.22910996       7.29870005       0.05234351      -0.14199050       0.44128209
Cl       6.28542998      10.24979997       4.83430995      -1.66313438      -1.00682275      -1.62992164
Cl       2.91982006       0.83859499       4.49927999       0.48823975      -0.31356787       0.24057154
Cl       9.46381998       2.73492999      10.98300000       1.37140097       1.14222880       1.54230564
Cl       1.70692005      12.71769640      11.27020002       0.34008055      -0.28817053       0.02473914
Cl      11.22019994       9.45843002       4.85096996       0.30978622      -1.00510853       0.05687065
Cl       9.81913999      11.33360005       2.95789003      -0.81163383       0.69354899      -0.77486234
Cl       4.79602996       8.55689001      11.72109999      -0.76856575      -0.10459574      -0.45145680
Cl       8.39647998       7.00111997       5.31585003      -0.32340503       0.03255649       0.57153028
Cl       2.67231001       7.13619994       3.05827000      -1.32202787      -0.41349776      -0.37017185
Cl      10.29079996       5.27191005       3.72137001      -0.17929338       0.58469735       1.12200433
Cl       9.23659998       9.01757000      11.82749997      -0.43902699       0.26425375       0.17104733
Cl       6.75893005      11.98449994       1.46344003       0.29813562      -2.42762358      -0.66196767
Cl       0.49052599       8.87195000       0.69990095       0.21124968       0.08616980       0.27502120
Cl       6.51169999       5.41604002      12.13699994       0.39622443       0.03797341       0.11146220
Cl      12.39059996      12.49240000       6.45595005       0.04007789       0.51850155       0.04794509
Cl       2.99827006       2.00134006       0.61782602       0.66210374      -0.04187782       0.07061292
Cl       6.48014998       7.79253001       2.11979002      -0.03050405      -0.77075824      -0.12980714
Cl      11.96610005       9.29394005       9.12806996       0.20065686       0.24861554      -0.11119013
Cl       5.99131996       4.03770005       5.25944004       0.63288974      -0.28304420      -2.48969570
72
Lattice="12.56971753 0.0 0.0 0.0 12.56971753 0.0 0.0 0.0 12.56971753" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.16377005 stress="-0.008585539366522255 -0.0022886124802951563 -0.00196891428763008 -0.0022886124802951563 -0.007829102994735198 0.001430491127036673 -0.00196891428763008 0.001430491127036673 -0.012389710767398561" free_energy=-250.16377005 pbc="T T T"
Li       8.59667003       1.37956006       4.17401001       0.35490223      -0.34544655       0.21020059
Li       9.18382001       6.33498001       5.15930995       0.58541280      -0.37120966      -0.61532025
Li       6.16519996       8.30631998      11.72310004       0.22733660       0.54859537      -0.10336206
Li       7.43898999       8.88280004       6.31222995       0.49836318      -0.45380102       0.96162434
Li       2.57712997       4.30119004       4.47112005      -0.76858610      -0.00513487      -3.60869275
Li      11.79139999       2.24222996       4.76284999       0.91216598      -1.66042660      -0.80484038
Li       6.13190994       2.53975995      11.57350004      -1.15906013      -0.84404274      -1.98622199
Li       4.01085005       0.05556481       9.66679004      -0.16698660      -1.24290851       0.15018858
Li       3.29814003       6.53062000       1.19838996       0.23457996       0.07503374       0.24663872
Li      10.80440000      11.99440005       8.05409000       0.42709783      -0.44687064      -0.51409577
Li       4.77018002       6.94026998       6.30661996       0.16841252      -0.60036406      -0.02617717
Li       1.67303996       8.05565996      11.48430005       1.01386495       1.09582442      -0.83090644
Li      10.76819997       8.59850998       7.95221998       0.47542771      -0.56801396       0.06016319
Li       2.35964997       2.29083001       0.40728902       0.30360109      -0.99486064       0.32723346
Li       9.56229999       2.39333003       7.80518005      -0.26564072       0.59106224      -0.26317920
Li       6.86136999      12.43260001       7.85906002      -0.85797535       0.37526588      -0.54436999
Li       3.04264003       9.21055002       8.84557997       0.27830932       0.21255813      -0.07903466
Li       1.06954004       7.98378003       6.02087006      -1.36548301      -0.64942338      -0.51979812
Li       9.91621006       5.43610996      11.14300004      -0.20036079      -1.12411428       0.00649825
Li      11.88340002       5.25254997       7.42899996      -0.36440757      -0.11939118       0.12878870
Li       0.21789894       1.91201003       9.77357997       0.71802303       0.16190293       0.06567189
Li       3.30907995      10.49220002       5.69597001       0.19348932      -0.43997750       0.61121702
Li       8.09313003      10.19239994       9.69976996      -1.01392726      -3.01721430       2.25134975
Li       7.44648996       5.32804998       1.39840006      -0.25488283      -0.04535702      -0.37519958
Li       4.52176998       6.14096001      10.27650002       0.20086633      -0.16740269      -1.46812578
Li      10.75460004       8.77821999      11.87209997       0.05139264      -0.29421598       0.25697468
Li       5.70064004       2.98799997       7.42266997       0.48491729       0.33399298      -0.05659591
Li      12.36490002       6.85270996       2.78358997      -1.22330856       0.61752241      -0.58186015
Li       3.94905003      11.05919999      12.39790005       0.22012498       0.15644968      -0.08281015
Li       5.41323998       8.29166005       2.75094000       0.23529655      -1.55405558       0.81830051
Li       7.42863003       6.18906998       8.68715000       0.20263177       0.03403243       0.00119213
Li       8.24692995      12.35600003       0.57363402      -0.86487941      -0.24160561      -1.20823557
Li       0.07959321      11.77099997       3.23950996      -0.87839165      -1.30275564       0.61533445
Li       2.58363002       4.38971001       8.47189006       0.11234447      -0.07771254      -0.40214625
Li       8.67188005       9.70030995       2.76253003       0.18248682       0.02819777      -0.12786331
Li       0.53772196       4.94656006      11.16260000      -0.33663399       1.07884840      -1.10206305
Cl       4.63030006      10.96600006       7.43812004      -0.09674407      -0.07034322       0.09394722
Cl       5.10531006       1.28569004       8.68481995       1.32333584       1.93228508      -0.69059271
Cl       7.96920003      10.15489995      11.96109998       0.15268998       0.16234266       0.65213582
Cl       0.40468394       1.00797998       2.50728998       0.73117930       1.70935633      -0.43975457
Cl      11.53940003       9.64195001       9.95709998      -0.21757401       0.27929510       0.03105937
Cl       8.76171004       6.42067004      12.46210152      -0.68091468       0.94451450       0.99514533
Cl       5.14175998       0.73044501      12.35129996       0.21466409      -0.27008200       0.43626683
Cl       0.57265295       3.45860001       8.14719000       0.02470638       0.03299634       0.03223623
Cl       7.91506000       4.04312003       9.11896002       0.62235021      -1.11144634       0.12784042
Cl       7.18273003       1.34253005       5.94616006       0.00870546       0.23965832       0.15730199
Cl       7.21174006       3.25030999       0.38170700       1.68763232       1.17983314       2.18557333
Cl       4.81604001       9.43387003       1.27949995      -0.29165855       1.20473451      -0.42731217
Cl       5.30457000       5.28039001       8.10494997      -0.19853944       0.53512880      -0.03043602
Cl       9.13014003       7.61614998       3.37497004      -0.27079527       0.03802226      -0.37659155
Cl       3.00593997       8.13268002       6.74243004       0.80492568       0.33671912       0.17309884
Cl       1.36986001       6.19453994       3.84356999       1.02406713      -0.44781565       0.07043933
Cl       1.37137001       3.16567997      11.35570002       0.48086710      -1.39930923       0.31557462
Cl      10.55990002       6.35259006       9.49513006       1.33374162       0.15901349      -0.75599592
Cl      10.90129996       1.26473996       9.18155004      -0.53858704      -0.00020509       0.41649132
Cl       9.27762995       0.13324705       2.28799001       0.23851107      -0.22866677       0.98804278
Cl       6.14270997       8.89454003       4.64830995      -0.29156230       0.29686825       0.43810136
Cl       2.96895006       4.61091994       6.20711003       1.03003464       0.18540721       3.29052069
Cl       4.98793002       6.47888995      12.19459995       0.62402900      -0.87768253       1.35858731
Cl       3.75230001       9.05183006      11.10870004      -0.71518197       0.32699104      -1.23926087
Cl      12.08709996       8.70823997       1.59451002      -0.32292670       1.23596409       0.41387314
Cl       2.44066997       6.05366998       9.87643998      -0.58559381       0.35262419      -0.21267266
Cl      10.71379999       3.55279006       5.72426005      -1.49907806       1.42227762       0.81505289
Cl       8.64961996      11.61889998       8.70607999       1.06666695       2.45184043      -2.17826198
Cl       0.32705701       6.75942996      12.10309995      -1.16137552      -0.91690952       1.29376127
Cl       4.77791002       5.91289003       2.86525002       0.14271251       0.03925350       0.18523869
Cl      10.88669998       0.21686395       5.48045001       0.04602567      -0.29757957      -0.03520170
Cl       8.92357004       6.89218000       7.10629999      -3.10812371       1.05909575       0.79686435
Cl       0.19040696       9.80422997       6.85905000      -0.02436759       0.75711415      -0.12569537
Cl      11.30450004       6.88405996       6.01011000       2.64880641       0.36543219      -0.88250674
Cl       2.61167004      12.25077855      11.01449994      -2.19717456      -0.24938516       0.65141054
Cl       6.79780996       8.47901998       9.05552002      -0.36597745      -0.12032439       0.06524085
72
Lattice="12.41073342 0.0 0.0 0.0 12.41073342 0.0 0.0 0.0 12.41073342" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.84692332 stress="-0.0009658893844221048 -0.0018392641184144785 0.0006496928219313585 -0.0018392641184144785 -0.00870956433194759 0.003612868409669906 0.0006496928219313585 0.003612868409669906 -0.0009889361131788649" free_energy=-252.84692332 pbc="T T T"
Li       6.88228001      10.17710001      11.32950002       0.00418882      -0.26396233      -0.06513028
Li      11.16049996      10.89790001      10.38599995      -0.09711170       0.01918377       0.46360435
Li       2.64716004       2.36736006      11.21690005      -0.36105892       0.12167466      -0.19751317
Li       1.73299001       8.17140994       1.80382998       0.10188534      -0.14718194      -0.22856944
Li       1.20516996       5.82017999      11.07970001       0.28867233       0.10966283      -0.67862694
Li       5.21781003       6.50860995       1.41821000      -0.13252905       0.19948089      -0.33376895
Li       4.72736006      10.11530001       2.54341996       0.43648134      -0.00606917      -0.71414362
Li       0.53646500       1.07791998       8.13582998       0.19247478      -0.15995723       0.18155414
Li      11.02250005       5.96320004       1.57077999       0.30051971       1.08216465       0.94442291
Li       7.24523004       2.05632995       5.99109999      -0.17990505      -0.02338096       0.11384972
Li       1.64564004       5.75386001       7.64213001      -0.13704200      -0.00764374      -0.09862340
Li       7.64430003       4.64902003       3.96796999      -0.09632598       0.14508744      -0.23215595
Li       8.19011999      11.77019995       1.90538999       0.54998387       1.28977743       0.12904752
Li       5.53918994       1.99678003       1.76573002       0.22907560       0.24729444       0.46375395
Li       7.98259999       9.16572998       4.28772000      -1.46045999      -0.96240724      -1.18818252
Li      10.49120003       7.17560000       5.12584004      -0.69402169       0.74323248      -1.44048467
Li       3.40069994       3.11566002       4.87435998       0.37879614       0.26633396       0.25906908
Li       4.09109998       7.55887000       5.10009000       0.29534393      -0.03407651       0.04791024
Li       8.77383997       1.00598005       8.88789002       0.27868400       0.59393340       0.74109099
Li       4.77467995       7.90323000      10.48739999      -0.20502561       0.06222771      -0.00988714
Li       3.41370999      11.49960005      11.01569997       0.09569626       0.07147745      -0.24217431
Li       4.60116995       0.15478505       7.86346998       0.01913892       0.17166659      -0.05823052
Li      11.08380002       3.62277996       9.89003999       0.43657119       0.53023690      -0.44772010
Li       9.55739001       3.01418999       1.10984001      -1.17585891      -4.36866344       1.69658323
Li       1.58087997       4.40198004       1.92410997      -0.07806631       0.83982858      -1.51456209
Li       2.28337005      10.82369996       4.93455998       0.87871775      -0.14457604       0.89860062
Li       0.45404296       1.34515000       3.77127997      -0.23030219      -0.33023470       0.16394961
Li      11.49700000      12.17979995       0.97636605      -0.20297570      -0.35602100      -0.80917685
Li       7.76578994       4.41229001      10.68080005      -0.06643142       0.47960666      -0.94458758
Li       7.21282996       6.16057997       7.73008997       0.43107116       0.11647083      -0.05048067
Li       5.52307001       9.84497997       6.94715004       1.06403694      -0.47190903      -0.04518318
Li      10.08989996       5.25359005       6.81417995       0.32027411      -0.49748940       0.13621828
Li      10.25469998      11.40089997       5.59067003       1.19863481       1.44866945      -0.10058398
Li       9.05698999       8.31971002       0.09837802       0.34070524      -0.03397078      -0.19845596
Li       0.60465205       5.03747996       4.71610997       0.29243548       0.89717866      -0.43476603
Li       1.51384004       9.47899005       8.93869994       0.55258883      -0.89309946      -1.08717788
Cl       9.55593994       9.55789004       5.37156995       0.95042439      -0.90101976       0.96032356
Cl       5.81764994       9.42672994       4.34197005      -0.07488660       1.22093693      -0.39239071
Cl       8.68086000       3.75582004       5.73667995      -0.19288849       0.30000523       0.43459151
Cl      10.83860004       0.35844606       8.94663002       0.95052184      -0.32708284      -0.77858988
Cl       9.29347006       2.72842999      10.50399997      -1.10785996      -1.65187363       1.00067479
Cl       9.35517995      11.75990004      11.90550003       0.74986664       0.81963969      -0.27027453
Cl       4.44079994       0.30162600       0.70495696       0.10315045      -0.11385233      -0.14127048
Cl       6.92993995       0.48834796       8.12390004      -0.16184683      -0.28043225      -0.45464081
Cl      11.89299994       4.09575996       6.16865005       0.09782493      -3.00344580       0.68023371
Cl       9.27823998       6.35459995       3.28639001      -0.30008265       0.20170417       0.18019924
Cl       0.21504698       6.87211003       2.82583998       0.07620829      -0.42446760       0.38331163
Cl       7.86392000       9.90840999       1.15233002      -1.15902110      -1.59082686       0.65132696
Cl       9.52769994       5.12165998       8.92447004       0.26138558       1.24750779      -0.18885120
Cl       3.50341998      10.20509999       6.92388004      -1.37362863       0.25798846      -0.26065345
Cl       4.52068002       8.37796997       0.65365595      -0.25771236       0.81781648      -0.21068239
Cl       6.98618999       7.48770996      10.74529999       0.78598406       0.37153243       0.52498923
Cl       6.37021997       7.15382996       5.93689996       0.18383013      -0.54264358       0.61796752
Cl       5.57230997       4.72969005       2.43662995       0.27351850      -1.00530626       0.32684446
Cl       1.09468005      10.94449996      10.22320005      -0.72577871       0.46473435       1.27480852
Cl       5.30868998      10.31220002       9.55416000      -0.11719839      -0.07882580       0.68190486
Cl       6.06685002       4.88622998       8.85490999      -0.63346787      -0.94956332       0.92003260
Cl       1.67088000       4.11947998       9.38294003      -0.66011635      -0.18333797       0.36556569
Cl      11.42750001       8.92103003       0.06510150      -0.35274858      -0.20198919      -0.18260706
Cl       2.34877002       5.73611998       0.48660401       0.60302071       0.66171846      -0.22213639
Cl       2.83369994       0.75683904       9.32128003       0.37892089       0.79942831      -0.08865613
Cl      11.98659996       6.78695999       6.39263996       0.90001108       1.86598694       1.22899309
Cl       7.62388003       1.96758998       3.40027996      -0.13412073      -0.64587642      -1.33507798
Cl       1.49022006       3.28830002       3.50983000       0.17720102      -1.68621658       2.22046329
Cl       2.26149005       7.51754003       9.55765995       0.19270840      -0.36405862      -0.03020066
Cl       5.07669999       1.48953995       5.78531998      -1.24048672       0.24659056      -0.48870108
Cl      11.13310004       0.09380678       3.02298001      -1.13449047       0.39588391      -0.40377979
Cl       9.97969997       4.61181998       0.45837803       0.73911920       3.71693321      -2.17792109
Cl       2.85614004       5.54649006       5.13493996       0.41919103       0.40512260       0.66472740
Cl       1.15605001       2.54645997       0.63845305      -0.25489309      -0.68901530      -1.10543972
Cl       0.49357301      11.71230004       5.19616000      -0.76729811       0.89510860       1.21308958
Cl       2.79971998       9.66027003       3.32057997      -0.76322353      -0.78334984      -0.71764372
72
Lattice="12.28488614 0.0 0.0 0.0 12.28488614 0.0 0.0 0.0 12.28488614" Properties=species:S:1:pos:R:3:forces:R:3 energy=-252.45979257 stress="-0.005084710414718342 -0.0038960002405247934 0.00037216773248274326 -0.0038960002405247934 -0.01644867342206071 -0.003041572231634951 0.00037216773248274326 -0.003041572231634951 -0.012864888828366557" free_energy=-252.45979257 pbc="T T T"
Li       8.20281000       9.92468998       2.51220995       0.40477581      -0.32109007      -0.34963760
Li       2.12862999       9.71984995       6.48524004      -1.73046246      -0.77744424      -1.04916016
Li       5.75480000       9.26686000       7.59021997      -0.05974641      -0.37041757       0.14064617
Li       3.08715995       0.60344098       8.21902998       0.65719931      -0.46751802      -0.22183491
Li       9.59707000       6.40992005      10.35550005      -0.27698618      -0.87772063      -0.06944566
Li      11.58050001       2.34769002       9.39112003      -0.18489443      -1.08429332      -0.21050996
Li       1.27126999       0.93502197       2.42735996      -0.33682597      -0.22857174       0.21630872
Li       6.57416996       6.68685001       3.93832000      -0.27012289      -0.19268663      -0.07658033
Li       7.23336000       9.09556004      10.63949996      -0.12456182      -0.05513664       0.21832548
Li       8.92437003       4.42398000       6.83289003       0.53878351      -0.36264417       0.68126561
Li      12.04750000      10.53930001       4.57090994       0.04875048       0.18318189      -0.08330304
Li      10.12489997      11.60470000      11.37550002       0.38653734       0.79978948       3.05421784
Li       5.45470996      12.23089996      12.10129994       0.45151836      -0.24131162       0.68097834
Li      11.33109999       2.41685995       6.15962004      -0.13748257      -0.84777135      -0.32906741
Li       5.99596005      12.20919994       5.47628996      -0.39998239      -0.79073400       0.89948250
Li       3.19494999       5.78758001       6.21768996       0.53410325      -0.89109134       2.28251313
Li       9.34881997       6.43487004       1.64267994      -0.96721282       0.34010621      -0.01725600
Li       9.10387998       1.02698000       3.15174000       0.55626812      -0.37169240       0.40232892
Li       6.26169000       2.98299001       3.51083999       0.56353533       0.26626349      -0.06842209
Li       0.61612205       4.85412006      11.13630002       1.16296336       0.78326253       0.33681632
Li       5.72501001       3.06726998       7.44314998       0.35934569       0.11364284      -0.65393977
Li       2.86683997       7.72486994      10.55569996       0.97901632      -0.91104505      -1.22215587
Li       5.76954997       8.70561994       0.99527700       0.62030836       1.16185290      -1.68693477
Li       3.21603000       2.65702996       0.54742706       0.48922782      -1.21208993       0.07642409
Li      11.97580000       6.17491006       6.69291997       1.56840521       2.09240131       0.84970247
Li       1.13854003       5.11788000       2.15738006      -0.37608458       1.28746725       0.01219107
Li       8.37549999       8.36000003       5.90104997       0.13550377      -0.00286173       0.07463765
Li       2.39359004      11.19969999      11.40509997       0.26602735      -0.94563311      -0.42683339
Li       7.09106994       3.41850003      11.14279996      -1.27807678      -2.77626692       0.44691396
Li      10.00120001       3.60808003       0.01571384       0.04002276      -0.25465652       0.15348748
Li       4.44957004       5.63923006       1.05135002      -0.00255187       0.20368453      -0.24816522
Li      12.24419995       8.55163995       0.38741801      -3.24018490      -0.10491516       1.63983948
Li       4.44932004       8.88900995       4.50386002      -1.77897810       1.42374610       0.51844948
Li       6.28801995       6.12155999       9.66084994      -0.09440256       1.08467883      -0.13618031
Li       8.28483999       0.50471005       8.24299005       0.22752676      -0.47358659       0.26491583
Li      10.06609996       9.53612997       8.48946000       0.58387255      -2.63556381      -1.46685215
Cl       3.79494998      10.39819998       7.19391999       1.37868689       0.60198287       1.14219928
Cl       9.53550000       2.31079003       7.83894002      -0.04945863      -0.33624650      -0.05003024
Cl       2.11041002      10.71119996       4.34966000      -0.45842549      -0.08336321      -0.01239831
Cl       1.46401998       8.64972003      11.58539996       1.94407550       1.20185307      -0.89823831
Cl       1.65965999       5.88734004       8.31128996       0.02123461       0.13040647      -0.29617265
Cl       8.87592999       2.49780003       1.74779999      -0.60889372       1.93119676       0.74106598
Cl       4.99112000       7.90642004      10.02360002       0.20985288      -1.16231869      -0.58362570
Cl       8.90399997       7.66760001       3.44490001      -0.57818492       0.43332669       0.80849681
Cl      11.36410002       0.82016295       4.16093995       0.00028925      -0.21762870       0.31659979
Cl       4.88050996       8.28748996       2.68658998      -0.24555058      -0.76369592      -0.70564287
Cl       4.85133999      10.48199998      11.12620000      -0.76783039       0.45206484      -0.12752664
Cl       5.61382000       4.26436997       9.12490004      -1.19022296      -0.80141309      -0.47472442
Cl      11.26339995       6.01194994       0.93750094       1.16494944      -0.43407906      -0.00380972
Cl       2.55750998       0.38795597       0.57674899      -0.19839043       0.27256855       0.62999806
Cl      10.64899999       8.09635998      10.53810002       0.62543195       0.74391384      -0.04706734
Cl       9.78580996      11.01460004       9.61224995      -1.28274198       2.19095075      -1.32614136
Cl       9.56663997       1.52144998      11.55019995       0.39189160      -0.52860555      -1.79824240
Cl       7.32794994      11.04090002       0.78364994       0.10493629      -0.24373327       0.34458233
Cl       7.24994005       7.27310996       0.36684304       0.24482809       0.28457690       0.26336089
Cl       2.49750998       4.54799998       0.14321389       0.80080809       3.07319087      -2.14929453
Cl       7.30808000       4.47644998       5.60349000      -1.16092817      -0.02811346      -0.56702675
Cl       7.33118995      10.32260002       6.30871004      -0.01806824       1.75118743      -1.07579462
Cl       7.04737997       1.01979997       4.09105996       0.11966120      -0.05632005      -0.26082558
Cl       2.64744997       6.82606996       4.72864002      -1.76006743       1.06393980      -2.08722198
Cl       5.09555996       4.71869000       2.87988996       0.08047066       0.01886955       0.12225721
Cl      10.90620005      10.29930002       1.21813995       0.00126574       0.06957995       0.18567389
Cl      11.04310000       4.54762001       6.20628996      -0.55112857      -0.76143279      -0.90338920
Cl       1.49672001       3.14932000       2.11715996      -0.77752072      -2.57407613       2.19666568
Cl       7.95667002       8.47416999       8.40823995      -0.01140022      -1.24799901       0.70933022
Cl       7.84912002       5.10884005      10.74310001       2.55172447       1.60646821      -0.00339230
Cl       5.08794002       0.97528102       7.39317998       0.72062263       0.32047748      -0.22410408
Cl       5.40630997       7.71173003       5.75150998       1.78250644      -1.44279899       1.76015116
Cl      11.18400002       8.89940002       6.43956999       0.10478756      -0.00970037      -0.24057968
Cl       5.23742005       1.97095998      11.65519998       0.14047674       1.14767120       0.00255984
Cl       1.14919004       1.00831004       8.76410006      -0.98952609       0.23250173       0.25991706
Cl      11.20590004       4.17215998      10.31210001      -1.05529623       0.62146305      -0.28077544
72
Lattice="12.19450527 0.0 0.0 0.0 12.19450527 0.0 0.0 0.0 12.19450527" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.40318976 stress="-0.006709924505471851 0.002229153817146999 0.0008687085505623177 0.002229153817146999 -0.011462698008182047 0.0024588667247140996 0.0008687085505623177 0.0024588667247140996 -0.007011019037583501" free_energy=-253.40318976 pbc="T T T"
Li       8.58596995       4.26599000       4.28216003      -0.08561593      -0.40604662       0.11421466
Li      11.64180005       0.10932898       8.20057005       0.66266009      -1.06951297      -0.48678698
Li       3.11889996       2.20480997       7.57511997       0.06904553       0.89202395      -0.22606618
Li       2.62054004      11.59670001       5.45380005      -0.23175431      -0.47702761      -0.02348023
Li      10.45489995       3.68337995      10.18070004      -0.08343103       0.00314082       0.38510501
Li      11.53059994       2.56252005       2.23185994       0.92973272       0.04989437      -0.87370974
Li      10.23190001       7.77645003       1.02099995      -0.01786099      -0.17087064       0.10656608
Li       1.05682997       6.48954999       0.88288706       1.31105342      -0.06837089      -1.87607437
Li      11.58509999       7.77193002      10.44959997       1.79820471       1.45833901      -0.25773496
Li       4.20795001       7.40403996       6.07768997       0.27357855      -2.57251160      -0.96770809
Li       4.40654996       0.72399205      10.97930002      -0.36597609       0.00688107       0.15387704
Li       8.13888000       1.07914994       8.86284997      -0.27123559      -0.35152649      -0.64361635
Li       8.77248003      11.47360002       2.29312001       0.14904995      -0.29735506       0.04949692
Li       6.99335000       2.04217002       0.27957903      -0.00456833       0.01404397       0.58808343
Li       6.03911997       0.81038999       4.65704998      -0.70918843       1.08515200      -0.05437017
Li       3.78416997       1.37636003       2.27457997      -0.09825454       0.46651281       0.41861466
Li       5.30752001       5.48471995       2.98830998       0.36584290      -0.05874539      -0.35317335
Li       7.08533998      10.13770002      10.26349999       0.68768894      -1.00933756       0.79763229
Li       1.59517994       3.22556005      11.95929997      -0.49481424       0.26832592       0.02353411
Li      10.56109995      11.71950002      11.18700000       0.14304880       0.01898708       0.38857593
Li      10.56890004       6.80570998       4.78359004       0.02471881      -0.22958727      -0.16327603
Li       4.97996999       7.39557003      11.12390002      -0.18317898       0.97074843       0.30597864
Li       1.34354998       8.10956002       3.69407002       0.07072748      -1.55246205      -0.35830801
Li       9.70480996       1.02542997       5.34056005      -0.72336480       1.07770910       0.07056868
Li      11.33360003       9.83822004       5.37457004      -0.06979351      -0.93382779       0.37124526
Li       8.31914003       6.47481001       9.96741997       0.59714339      -0.59554291      -0.44416364
Li       4.78137003      10.69410005       8.18274998       0.04328266       0.10913753      -0.12981561
Li       7.71202000       9.97447998       5.47494996       1.46534542      -0.99913727       1.45196512
Li       6.06941002       4.19611000      10.07190005      -0.15833695       0.24896685       0.08684724
Li       1.96357997       9.05603996       8.21456995       1.03373814      -1.54696243      -0.29818777
Li       1.81871998      10.56420003       1.30438001       0.10437648      -0.52944051      -0.69728907
Li       5.49115999      10.52719995       2.46495998      -0.12676140      -0.07334584      -0.66147650
Li      10.06399996       9.36809003       8.23437005      -0.28409133      -0.31605143      -1.81260663
Li       2.49196996       4.68135997       4.45466997      -0.37970271       1.29768285       0.28050548
Li       1.15771999       4.93464996       8.52311996       0.21590475       0.83768992       0.11045990
Li       6.31336000       4.30972998       6.57923997       0.29097547      -0.39726555       0.54969973
Cl       3.26117996       1.94224995       0.23949472       0.26778558      -0.44526971      -0.67869207
Cl       3.96447000      11.88108527       3.73039001      -1.28746891      -0.17117884      -0.19808764
Cl       2.51669005       4.65165001       6.67644005       0.33480458      -0.60120178       0.74310373
Cl       9.08906000       8.23994001       5.76422996       0.54319557       0.17048900       0.63227730
Cl       8.25540996       4.89028001       7.93101002      -0.11895086       0.06854969       0.63897446
Cl       5.82473995      11.79249999       9.80484002       0.29938051       0.17257011      -0.25666754
Cl       9.35065994       5.91442005       3.12696004      -0.74268166       0.02129461      -0.36130195
Cl      10.25259994       6.50064004      11.02579998      -1.99136512      -1.98582484       1.00336543
Cl       4.96372996       5.47443998      11.82249994       0.32050710      -1.22949279       0.28012514
Cl       9.88530997       2.40473998       3.40911004      -0.91822803      -0.03159564       0.98654658
Cl      10.78830004      11.95330003       1.30852005       0.01998944      -0.30282934      -0.30615294
Cl       8.67444999      11.52019998       7.45278994      -0.47494132      -0.62827652       0.35587565
Cl       6.73669005      11.15750003       4.28593997       0.41938964      -0.89018699      -1.26117020
Cl       3.63092004       0.17207203       7.25649999       0.06311916       0.35992265      -0.10660008
Cl       7.84397003       9.35738996       0.64699472       0.15621674       0.60724993       0.36813092
Cl       6.13832995       1.19075003       2.16854997       0.55601687       0.49210518      -0.78721501
Cl       4.48585998       3.36835003       8.78946003       0.36572377      -0.20385970       0.28970782
Cl       0.74258806       8.80138003      12.10724200       0.24050217       0.24998072       0.32512872
Cl       3.42994996       6.38854998       2.84568999      -0.67410692       0.62710396       0.22180949
Cl      10.08529998      11.30529999       4.74026004       0.03448752      -0.04934505      -1.19413977
Cl       4.11915999       9.24738004       6.63326004      -0.07492812       1.38634357       0.87907599
Cl       0.48509803       6.17012005       5.01819001       0.18069453       0.07913132       1.63879145
Cl       0.27883505       7.74931994       8.47274994      -0.08328062      -1.37211802      -0.66277027
Cl       1.22877006       9.75095994       4.95875997       0.42119326       0.86299426       0.00028991
Cl      12.16080002       6.80923004       2.43784001      -1.58223356       1.08580158      -0.38247844
Cl      11.50159994       2.64844997      12.01070005      -0.05037387      -0.17950694       0.22401712
Cl      10.33679995       9.65953005      10.17120003      -0.59371536       1.14789539       1.42897929
Cl       6.72069001       7.78158002       9.85135998      -0.66160310       1.13200538      -0.65161698
Cl       6.15173000       5.80646002       4.99039995      -0.21252758       0.28640330       0.20301864
Cl      10.34970003       1.38896000       9.05092997       0.15317426       1.30344267       0.75981747
Cl       7.56535998       2.44495002      10.44880001      -0.02165493       0.56320518       0.57256112
Cl       0.95911101       5.13560005      11.00830001       0.65058978       0.19984112      -0.73823330
Cl       2.22304002       3.10666997       3.20911003      -0.28049482      -1.48914104      -0.79931601
Cl       4.07250003       9.98175997       0.17019603      -0.08206098       0.34056733       0.53701882
Cl       0.92890095      10.68149995       8.25286997      -1.23202177       2.82790178      -0.00491746
Cl       7.32390999       2.30168994       5.58386994       0.10767801       0.44472069       0.37561816
72
Lattice="12.10826769 0.0 0.0 0.0 12.10826769 0.0 0.0 0.0 12.10826769" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.58804357 stress="-0.012245900629983777 0.005379685577796193 -0.0020778810505533997 0.005379685577796193 -0.027720180006011983 0.0013795208289185891 -0.0020778810505533997 0.0013795208289185891 -0.01126828836198182" free_energy=-249.58804357 pbc="T T T"
Li       6.85057997       7.27662996       5.99266998       0.55691152      -0.00659073       0.10260149
Li       4.99062994       9.43950003       8.71010004      -0.61046011      -1.25158656      -0.41722245
Li       4.18497003       7.25766998      12.00400001      -0.76192933      -0.52804590      -0.21212406
Li      11.71889995       2.28574998       8.26928996       0.31227435      -0.26462210      -0.14396450
Li       0.99686496       3.52993999       2.46113000      -0.22202612       0.15282648       0.22463854
Li       6.01128002       2.28059004      11.72450002       0.81541514       0.31000914       0.72840015
Li       3.53864995       2.40176995       8.57882002       0.60366806      -0.61003778      -0.08859988
Li       8.52657999       1.28987002       1.82408994       0.40950106       0.22209755       1.33180715
Li       5.86973001       5.10614003       2.23785003       0.10448434      -0.22795102       0.28156323
Li       4.75374997       2.37088999       3.31110000       0.11460482      -0.51137603      -0.13369233
Li       9.45953001       2.69618998      10.93000005      -2.72745390      -0.45651660       0.95206470
Li       8.90951994       0.44343503       6.83410002      -0.17008304       0.53102446       0.19363460
Li       7.09304004       8.75342003       1.86175005       0.65525389      -1.32924715       0.72123666
Li      10.31609998      10.63840003       3.98628994       0.32917140      -0.62885822      -0.60556563
Li      10.08770003       2.25378996       4.08665005       1.10921729       2.92409115       0.45019522
Li       3.10258001       3.55086998      11.19789996       0.46780311       1.11414501      -0.21118037
Li       1.71648001      10.90469995       2.41446002       0.14924782       0.77255978      -0.37144079
Li       6.69066003      11.93079996       3.79838997      -0.27941657      -0.18645243       0.11586961
Li       9.50262999       8.95538000       6.99846999       0.31784070      -0.79748103       0.57896738
Li      10.86900005       5.06772001       5.52076005       0.27026332       0.67136541      -0.39400277
Li       7.08529995       3.36579995       7.11159003       0.33383058       1.21431858       0.11286720
Li       0.01699407       1.89380003       0.01090337       0.35841680      -0.26611090       0.38805509
Li       9.67581999       7.68369006      10.52720000      -0.23011975       0.58836944      -0.86596706
Li       4.19760997       8.52826001       4.06676997      -0.09149115      -1.40766794       0.07982239
Li       3.26592999      11.59490002      10.56349998       0.59081700       0.08577199      -0.48482083
Li       3.56858001       5.66182997       7.06899000      -0.32463701       0.56705132      -1.71491658
Li       0.59932002       8.75264002       5.43807996      -0.95018719      -0.18455959       0.08326909
Li       7.44825000      10.82650003      10.78490002      -3.23252445       2.23527013       0.48685634
Li       8.99795994       5.38615002       1.04521000      -0.88042429      -0.83966342       0.74496800
Li      11.89590006      10.42429995       9.22146996       1.24134956      -0.28369826       1.23433504
Li       2.05976006       2.22255003       5.84186005       0.46911496       0.10864265      -0.18599284
Li       6.34756003       4.88533003       9.84389994      -2.34134882       1.09286089      -0.40171169
Li       0.68125001       5.60630000      11.17099999      -0.55261042       0.52887152      -0.31014982
Li       1.67246004       7.68735003       8.59694005      -0.29001970       0.46371084       1.30878213
Li      11.94500005       7.31448004       2.62718000      -0.37306755      -0.49059964       0.12265621
Li       4.08288994      11.66110004       5.83831003       0.47628368       0.29120697      -0.10747622
Cl       0.05285985       9.47423998       3.39110998       0.94302305       0.58615000      -0.89666974
Cl       7.37849003       6.60518002       2.86973996       0.83506966      -0.04484555       0.43822377
Cl       1.58135998       4.19765005       0.32788402      -0.87329067      -0.86305705       1.33448792
Cl       8.14233005       1.16034994      11.98110000      -0.32224661      -0.72019464      -2.51328003
Cl       2.64577999       6.65166003      10.68869996      -0.78069063       0.06344392      -0.63783018
Cl       2.32219998       9.82422001       9.64249005       0.18418248      -0.51727285      -0.62241837
Cl       4.21472997       4.61353005       8.65750996       2.85602652      -0.08334989       1.72293984
Cl       4.10585001      12.04932537       3.77133005      -2.61788718       7.47003365      -5.18412804
Cl       4.13069000       1.84167006      10.83150002      -0.19584680      -1.49860894      -0.86066342
Cl       2.15672004       8.12356998       6.63020999       0.78589433      -0.34162319      -0.53415075
Cl       4.96209996       4.38541998       0.33544200      -0.28135318       0.74208225      -0.56081874
Cl      10.36040002       6.63165002       0.11912804       1.41082497       0.15916581       0.38118063
Cl       1.67384002      11.77940000      11.94360070      -1.25104617       0.62156808       1.76930422
Cl      10.44239999       7.62909001       5.21102003      -0.09048638      -0.60440193       0.46934920
Cl       6.71288003       1.56461001       6.34533998       0.14236564      -1.81851013      -0.39018618
Cl       7.00294000      10.72150004       1.84031006       0.13637919       1.90501833       0.34133092
Cl       5.30089001      11.28759994       9.37214004       1.31210162       0.89860926       0.67888558
Cl      11.25270004       2.93243003      10.39540006       2.64331156       0.50953403      -1.08163487
Cl       9.50096995       3.47315996       6.26293002       0.32202382      -0.18348212       0.07013939
Cl       3.22646999       0.61794895       7.09921998      -1.71310364       1.66035074       2.17134223
Cl       4.80038000      10.25249998       4.79862999       4.32623708      -7.55915396       3.10089802
Cl       8.96986997       9.83462005      10.62529998       2.86826075      -1.92180614      -0.32667640
Cl       0.60947401       5.41313002       3.65926004      -0.24152739       0.49670448       0.15703696
Cl       0.68585406       1.92850002       3.99401005       0.00399854      -0.35167490       0.28328318
Cl       9.35694998      10.71859999       5.80186003      -0.99839770      -1.18762387       1.47394598
Cl       1.88283998       3.51771003       7.84675004      -2.95917871      -0.15139204      -0.73609224
Cl       9.59914996       0.47104200       3.80161997      -1.43250007      -1.33518116      -1.59632071
Cl      11.17099999      11.95910001       8.23966006      -0.78130744       2.29390632      -1.00793480
Cl       6.01138996       7.82446005       0.40681600       0.12117846       0.12543248      -1.13126429
Cl       4.34655002       3.73446001       4.88985997      -0.43883033       0.06874499       0.14024578
Cl       6.96373997       2.95344006       2.10332997      -0.42827871      -0.25940116       1.04067205
Cl      11.53109999       8.43135997       8.98958005      -0.73661408      -1.84531598      -0.40829078
Cl       4.89058005       6.87449005       5.41223995      -0.47579437      -0.32387184      -0.12833751
Cl      10.30599999       2.97617999       1.88506996       0.44927168       0.59623244      -0.69811717
Cl       8.13470002       4.35435004      10.31490005       1.62035948      -0.53934920       0.42446386
Cl       7.42312002       7.08218995       8.20286001       0.01020125       0.35001173      -0.27667769
72
Lattice="12.02441926 0.0 0.0 0.0 12.02441926 0.0 0.0 0.0 12.02441926" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.65067537 stress="-0.009015775684448186 0.00047642634406864517 -0.004489107559445421 0.00047642634406864517 -0.004974469310393773 -0.00556660711697735 -0.004489107559445421 -0.00556660711697735 -0.01671153474741803" free_energy=-253.65067537 pbc="T T T"
Li       0.73384502       6.79707005       9.67171994       0.61763103       0.46763935      -0.53560900
Li       5.69995999       8.61170005      11.21289998      -0.68445986       0.15129730      -0.13434165
Li       5.08636999      10.48699998       2.34376000      -2.17889152       0.99899966      -0.96652548
Li       3.70683999       8.10670005       7.79617003      -0.27618792       0.17871589       0.17411164
Li       5.84886006       4.91025998       6.48946003       0.65218861       0.14950527      -0.53806279
Li       9.28662998       1.40830996       8.61749005      -0.11252943       0.51416339       0.01093970
Li       3.82908998       0.15277602       8.38714005       0.15855846      -0.35224756      -0.00767624
Li       2.64405003       8.11617999       2.87317005       0.49995884      -0.10488502       0.11848898
Li       9.03790006      10.55870003       6.13128000      -0.01913879       0.24952323       0.18524725
Li       6.14802003       9.03706003       4.84725996      -0.11291725      -0.27784519       0.35054094
Li       8.52209997       8.94907002       1.92153995       1.15097079       0.60200270       0.16202379
Li       8.56546003       6.25200000      11.64590004      -0.27309205      -0.45017547      -1.86003758
Li       2.85675996       3.86742996       8.29504996      -0.70357205      -0.95397548       0.32690307
Li      11.84030003       3.25045003      11.12470002      -0.80472111      -0.41149069      -0.86166664
Li       0.74650697       3.21364004       2.92005999       0.29028285      -0.09362117       0.43246602
Li       0.58298305       2.18206006       6.68021999       0.98527680      -0.23909567       0.37518146
Li      10.81300002       5.86346997       2.20654995       0.75504349       0.29982064       0.57539512
Li      11.88499997       9.33421999       3.79951003       0.39688538       0.57911889       0.03523348
Li       0.66180504      10.26769994       7.19637997      -0.74100844      -1.07241615      -0.81030152
Li       3.78624998       4.65522001       0.56968704      -0.94013549      -0.39295115      -0.15985902
Li       9.54887006       9.14080997       9.71923997       0.81349837       0.77938979      -0.17708731
Li       0.33787704      11.68889997      10.06049996      -0.29171886       0.02405110      -1.10730488
Li       9.62635999       5.44478005       8.29668997       0.38592796      -0.28501748       0.86853669
Li       9.72105998       7.50227001       5.27943996      -0.71259661      -0.47710881       1.71940018
Li      10.44220000       0.80793299       4.43406003       0.31406435      -0.22790729       0.31888085
Li       6.67985998       9.44860997       8.51264998       1.58711634      -1.38795708       1.77410537
Li       6.22250001       2.72600006      10.88969995       1.75560758       0.54365819      -0.08623462
Li       3.37295001       0.60741402       4.46137002      -0.57907748       0.38121279      -0.10612061
Li       6.84389001       5.88591006       2.57997996       0.71791093       0.92429302       1.17012433
Li      10.19789999      11.75269997       0.74737405      -0.26577159      -0.00587791      -0.20764047
Li       9.20658006       3.59959997       5.38975006       0.16104943      -0.75295728      -0.14314069
Li       2.57197001       9.44847001      11.05799997      -0.02845479      -0.29347016      -0.90486862
Li       7.42106995       0.70202600       3.39058995       0.43615708      -0.16902562       0.47976280
Li       2.77386999       6.19118998       5.94531995      -0.85619787       0.23093977      -0.63500169
Li       2.51006000       1.28678000       0.46973105      -0.30739725       0.15525753      -0.27551018
Li       5.66868003       0.27292005       5.92366998       1.29013463      -0.36045508       1.35741003
Cl       1.17278995       3.48789997       0.59583499       0.83201038       0.83312423       1.22500806
Cl       0.90107006       3.12501995       9.21429997       0.17664019       0.28175664      -0.47962246
Cl       5.77631998       4.97526003       1.16417998      -0.04395016      -0.63716737      -1.26186211
Cl       6.17383995       6.40383006       4.67470005      -0.17043594      -0.24712938      -0.35620575
Cl       9.30664006      11.16850005       2.95485001      -0.02737957       0.72787137      -0.23379205
Cl       0.21666801       0.36446604      11.97686954       0.17843920       1.58386016       1.48153979
Cl       8.56658996       5.26863000       6.49363996      -0.44006161       0.48835669      -0.17681097
Cl       6.57308001       9.31147003       2.30961005       1.14503809      -1.96021264       0.29973945
Cl      10.15120004       8.09013004       3.42420999       0.76061807      -0.07687846      -1.08085026
Cl       7.91350996       8.64863005       6.56802001       0.30173786      -0.72000466      -0.09648325
Cl       0.84466194       7.45171996       7.21956004       0.72417684      -0.36237633       0.63156934
Cl       5.48556003      11.61440003       4.05288005      -0.36975250      -0.11342793      -0.90679295
Cl       9.73654996      11.40389995       8.14347999       0.67805220      -1.13300288      -0.43940871
Cl       1.46591006      11.95324961       8.12639004       0.62295104       0.69416089       0.17533035
Cl       4.41550996       9.85682001       9.38493995      -1.20431992       0.18043905       2.26676462
Cl       4.03829996       5.39188006       7.58345997       0.83516847       0.43452157      -0.48060456
Cl       1.29722994       6.40418995       3.12877000      -0.45466446      -0.04941658      -0.43949403
Cl       8.79739003      11.62830002      10.92410001      -0.14805643       0.10534773       1.19183430
Cl       4.01744000       9.15746006       0.55669201      -0.40253166       0.13524498       1.64656313
Cl       7.76040003       8.30499006      10.58120000      -0.58963729      -0.43714095      -0.10027278
Cl       3.53338005       1.70822002       2.34199001       0.03280657      -0.05060230       0.42798014
Cl       0.79176496      11.65250000       4.46113001       0.27166909       0.15750706      -0.24572595
Cl      10.91420006       9.28863998       5.67490002       0.80691879       1.56809236       2.48557975
Cl       0.37559404       9.71039998      10.84780001      -0.16852435      -1.77181030      -0.32680059
Cl       9.97931000       2.79072005       3.44839999       0.08420416       0.56385137      -1.19450977
Cl       8.71363995       3.51445001       9.91916999      -0.31146925      -0.05449192       0.14488422
Cl       3.49665002       8.43110999       5.10231004       0.07703755       0.17447362      -0.10273759
Cl       7.80935997       1.00428996       5.90427003       0.05194661       0.12494596      -0.74391248
Cl       5.71964998      10.43569996       7.25364001      -1.03161551       2.78979634      -4.31458116
Cl       9.12804004       6.95780996       1.40544996      -1.34395183      -2.03133120      -1.51460088
Cl       4.35362004       1.64401997       6.63821004      -1.14211071       1.01217469       0.49304526
Cl       3.32860996       7.13348997       9.93866001      -0.83327842      -0.62598677       0.90507466
Cl      10.58130005       6.56267997      10.12379999      -0.23740921      -0.12423915       0.01638497
Cl      10.57859996       2.30324997       6.53647996      -0.64996774      -0.18679981       0.68221240
Cl       4.38201005       1.98402004      10.93799999      -1.42012826      -0.39639588      -0.24470784
Cl       1.47374000       3.55255996       5.19118998       0.32943517       0.20178153      -0.25149701
72
Lattice="11.94339335 0.0 0.0 0.0 11.94339335 0.0 0.0 0.0 11.94339335" Properties=species:S:1:pos:R:3:forces:R:3 energy=-251.06622309 stress="-0.006387973390155714 -0.006949470748387543 -0.002522555439600633 -0.006949470748387543 -0.013927712900253051 0.002165252541425675 -0.002522555439600633 0.002165252541425675 -0.023868636549511685" free_energy=-251.06622309 pbc="T T T"
Li       6.05835005       5.10148002      11.30819998       0.43563243       0.39643926      -0.15153083
Li       7.01999005       7.32209997       4.11107997       0.20353420      -0.10071878       0.68968588
Li       7.30538006      10.81589999       2.77580000      -0.17972470       0.90535219      -0.78097730
Li       4.52945000       8.39336001       9.36152002      -0.23572086      -0.23379726      -0.01472681
Li       4.48452003       6.85218000       1.57207996       0.01586255       0.37097864       1.14622357
Li       1.94777994       6.53156999       9.96395004      -0.15866054      -3.28236052       2.24265684
Li      11.12519996       9.37603996       9.79391995      -0.66766906      -0.18208772      -0.03583050
Li       4.05497994       6.84391003       6.11009003       1.05727690       0.97820827       0.53412835
Li       2.14965004       3.37306999      11.79120000      -0.16365365       0.26128149       0.17597140
Li       4.63749005       1.93581995       1.90195995      -0.04709554      -0.18318033       0.46760621
Li      11.05589997       6.45794005       5.86225996      -0.04978948       0.21158578       0.27288113
Li       0.80004098       1.15522998       2.54968994      -0.20908326       0.49534152       1.35759752
Li      11.13840004       1.24248005       6.53312001       0.72652369      -0.16125504      -0.02713670
Li       2.28896997       4.35284997       4.26593001      -0.06313876      -0.60579563      -0.08532377
Li       2.89959996      11.19460003      11.50800005      -0.03841927       0.14817531       0.22984644
Li       3.34369999       1.00395006       6.26986003       0.26073368      -0.53099526      -0.51986759
Li       4.74245003      10.24940000       4.84113996       0.56579062       0.04996374      -0.90089258
Li       1.05341004       6.82611999       1.13693998       0.25331491      -0.52057974      -0.16260738
Li      10.56200005       4.10299000       1.45348004       0.12558224      -0.04226859       0.10946292
Li       5.07300004       1.75980001      10.07820006      -1.68214004       0.05505191      -0.18769042
Li      10.53270004       5.05376998       9.84423997      -0.57254152       0.18300520      -0.26485236
Li       9.49855995       8.29256995       1.41414997      -0.22347354      -1.21807458       2.18703381
Li       7.05406001       4.02530001       3.10334004       0.21288683       1.80211143       0.41739873
Li       1.67612997       9.70110999       7.35407996      -0.46933030      -0.19830800       0.07005339
Li       7.42651999      10.22430001      10.93749998       0.13342067      -0.06599279       0.17694341
Li       0.28698995       1.44649996       9.65533001       1.01173849       0.92076197       0.69537003
Li       8.40576000       7.35660002       8.39551006      -0.16316437      -0.53453055       0.42332076
Li       0.97902898       9.79399997       3.74029004      -0.04566218       0.05871270       0.65402503
Li       7.80126999       1.85253998       0.46167498      -0.79870944      -1.73057174      -1.91441457
Li       9.43356997       2.75575003       4.76682996       1.29835115      -0.46640922      -0.95050743
Li       6.26827000       1.78149996       5.02909003       0.66102366      -1.48409211       0.76629510
Li       9.67811000       9.54629996       5.31890006      -1.77168258       0.87560141      -0.64672666
Li       7.03395999       3.34210005       7.35466005      -0.84682489      -0.56465788       3.19339059
Li       2.64012998       3.55998995       7.86429002      -0.98662926      -0.54536590      -3.76002556
Li       9.15401001       0.96817996       9.03853006      -0.73083211       0.47231446       0.29912900
Li       6.06949002      11.12720000       8.38581000      -0.06285359       0.13029564       0.00916045
Cl      11.54900005       9.00408997       5.64203000       2.14442557      -0.47010541       0.45967168
Cl       0.11576600       8.66775995       2.17770997       0.03695699      -0.41613963      -0.45531881
Cl      10.50919998       0.26275800       4.51566995      -0.28034980       0.02792900       0.32504184
Cl       8.04630996       8.99113999       3.22211995       1.41226326      -1.20887600      -0.09847664
Cl      10.65059997       3.41081995      11.36680000      -2.13076424      -5.15522673       1.05370268
Cl       1.47241999       1.09814999       0.61258596       0.20906470      -0.04078599      -0.09965313
Cl      11.03289998       0.02994949       8.80272997      -0.16756469      -1.50343055      -0.75728807
Cl       3.15644000       4.13996005       9.48942003       1.09543272       1.53001660       4.03451093
Cl       1.90677995       4.49508002       2.22200002       0.58093766       0.99861718      -1.87171397
Cl       1.60605999       1.79787005       7.33235003      -1.16840970      -0.05760296      -0.76033939
Cl      10.83020006       6.78240000       8.22290999      -0.27724930      -0.05145344      -0.11303800
Cl       5.53685002       1.12286995       7.05636998      -0.41273420       0.65647387       0.53055050
Cl       5.89492000       6.15069995       2.82277002       2.06121486      -2.71791219      -1.59610992
Cl       6.88929003      11.44690004       4.68919002      -0.26304379       0.35235524       1.03658503
Cl       3.52066000      10.36380004       6.52632003      -0.31654563       0.23234430       0.74066550
Cl       9.24000997       5.86523004       4.69899005       0.40055703       0.74092042      -0.45262764
Cl       5.45989002       3.07183002       3.78382001      -2.51546267       0.44850894      -1.00121419
Cl       7.77611995       3.51799996       5.65997005       0.47118559       0.00420321      -1.79489154
Cl       3.63691006       0.61130670       3.75211006      -0.75917613      -0.75417069      -0.09740769
Cl       7.96076003       6.42543001      10.65390004      -0.33161806      -0.44731429       0.27400881
Cl       8.52878997       9.50624003       8.77781999      -0.35119026       1.11126255      -0.28495127
Cl       4.75128002      10.37540006      10.39679999       0.77828129      -0.58392400      -0.27344671
Cl       6.97553996       1.12959002       9.83122000       1.62735336      -0.98424740      -0.03880345
Cl       2.78548000       5.28863000       6.08190995      -0.82292963      -0.88821722       0.83037145
Cl       9.76144001       9.31810005      11.78380000       0.31340157       1.70758066      -2.22698227
Cl       4.49228001       7.82676006       4.24515006      -1.12035560       2.33664957       0.86297109
Cl       2.51030004       0.56231395       9.87237001       0.38986420       0.11589786      -0.58371658
Cl       5.27183998       3.04367001      11.85713219      -0.18957001       0.20982090       0.64968399
Cl       9.34680003       3.19094005       8.98935994      -0.82990524      -0.06871537      -2.32827209
Cl       8.29996996       3.14214997       1.79201994       1.89906565       1.06491497       1.20839556
Cl       0.49452098       2.88468003       4.12796005      -1.18146357      -0.46918666       0.79586980
Cl       0.09011923       5.29285999      11.45430005       3.75048453       4.97496268       0.40595222
Cl       6.55929001      11.67740001       0.92074402       0.19278749       0.27194724      -0.11908516
Cl       3.38115997       6.89471997      11.90070002      -0.74858731       0.28633954      -1.56167898
Cl       5.94652000       7.27957003       7.97939997      -0.45735526      -0.11492292      -0.48918374
Cl       1.94283000       8.04358006       8.90779994       0.16612555       3.19734746      -1.91885194
72
Lattice="11.73085483 0.0 0.0 0.0 11.73085483 0.0 0.0 0.0 11.73085483" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.05229324 stress="-0.016634282122212327 0.003170877701026057 -0.0020162698719114903 0.003170877701026057 -0.014126881416293853 0.0026640371383454407 -0.0020162698719114903 0.0026640371383454407 -0.00915992632739333" free_energy=-255.05229324 pbc="T T T"
Li       7.60427994       6.83163001       6.93519996       0.78837416      -2.23010239      -3.43136652
Li       0.42096700       7.18751000       1.21289003       0.11295981       0.15700221      -0.53713057
Li       5.62889995       1.93978999       2.93855004      -0.54951081      -0.18426621       0.21640507
Li      10.93039995      10.61270001      11.66159997       0.24882069      -0.48448978       0.68908273
Li       3.73776004       0.07895170      10.91399998      -0.43895335      -1.86006495       0.56245647
Li       2.41484996       5.71985994       3.28548996      -0.96592720       1.12067284       0.42369960
Li       7.79229997      11.20170002       0.58821204      -0.74897322       1.61495759      -3.02865498
Li       0.00386942      11.52159996       6.20422999       0.25653323       0.02726151      -0.25364895
Li       3.13985996       2.67192003       5.17963003      -0.73151375       0.64931616       0.16093079
Li       9.94420998       1.94631000       3.32253001      -0.34895850      -0.14821823       0.01900748
Li       7.42727003       2.67564000       6.26159997      -0.06950688       0.55511158      -0.05614266
Li      10.01750002       5.66109997       9.46033005       1.22194014      -0.38776685      -0.37758348
Li       3.60780997       0.03814944       6.77504001      -1.84544257      -0.00262227       0.42786104
Li       3.98385003       8.36856003       6.47358003       0.09708642       0.14063804      -0.12175846
Li       7.13847996      11.22259994       5.59377003      -0.17374673      -0.32914447       0.06808788
Li      10.23009994       5.35454001       3.50203004      -0.51164631       0.33888235       1.52587657
Li       5.51778998      10.26900004       3.07609995       0.84359343      -1.39940824       0.61165243
Li       6.04632998       5.87382999       9.54608999       0.24376271      -0.03130265       0.21575522
Li       7.71608003       4.59561998       0.98435398       2.41419433      -0.09845481       0.80588191
Li       0.08026016       3.75123997       0.41177799      -0.88363698      -0.21703832      -0.51178329
Li       3.00045001       7.73289000      10.72499996       0.43262396       0.06461901      -0.03118213
Li       1.36334001       2.05769998       9.45696998       0.18501462      -0.13905542      -0.05324952
Li       9.07739002       2.36375000      10.43090003       0.16771733      -0.21280508      -0.23738082
Li       2.16668994       0.83690194       1.63145995      -0.25036625      -0.18783222       0.19541506
Li       9.01094000       8.58904004       3.68188997       0.44814611       0.53055367       0.01187615
Li       0.03272040       7.15311995       6.65861996       1.03652300       0.62249235      -0.77499184
Li       3.74433003       4.20279002      11.56219998       0.43507813      -0.70790765       0.62157590
Li       3.68505003       4.60433002       7.54613995       0.94905899       0.81141097       0.38829590
Li       5.52088998       5.74565996       3.62928999       0.66474610       1.28926742       0.77542388
Li       8.87844997       9.82589997       8.14572001      -0.14495666      -0.24529469       0.10417748
Li       7.41016996       7.43835005       0.79356300       1.10109576      -0.25734525       0.16680480
Li       6.08376994       1.84229004       9.15742002       1.22779022      -0.07944705      -0.61097229
Li       1.21547000       9.51399003       3.19431001       0.29864093      -2.89018697      -0.38953805
Li       1.09365997       9.89957994       9.03340001       0.13562315      -0.03567713       0.79529017
Li      11.28140003       3.76901996       6.71821000       0.14140391       0.31502618       0.27387993
Li       5.69085998       9.25860005       9.12020001       1.22599362       0.27026425       0.34207322
Cl       1.89086001       4.09532999       6.72077003      -1.19161195       0.75407239      -0.59651250
Cl       6.62293998       4.87056998       7.44533003      -1.08564984       0.05006520      -0.47220178
Cl       0.85976303       7.97758003      10.25319999      -0.66656551      -0.40839275       0.19617792
Cl       1.81633999       1.37038004       7.19704003      -0.79861253      -1.37680397       0.56826660
Cl       0.22865700       6.59843000       4.38892994       0.16212772       0.00549684       1.63609271
Cl       4.34206999      11.70107911       2.28058997      -0.73322957       1.22522635      -1.15046957
Cl       4.59296998       1.18835002       5.39180002       0.59599683       1.37018928      -1.47531314
Cl       4.05760004       4.37324004       3.26712002       0.17815509      -2.27120863      -0.83468435
Cl       1.18603001      11.39879996      11.01950002       1.02097775       0.66445045       0.15228057
Cl       8.70572005       5.80370998      10.93169996      -0.77754003       0.46586586       1.63905626
Cl      10.20040000       6.05019002       7.41652996      -0.76154083      -0.37800330      -0.48121924
Cl      11.32540000       3.52540001       9.80492004      -0.11586148      -0.02084261      -0.07322566
Cl       6.82001001       0.34993797      10.65849997       0.35558151      -0.44681551       0.16339755
Cl       8.23676001      10.35169999       2.13450998       0.37824472      -1.83121462       3.30285107
Cl       5.91733997       8.72731996       4.97660999       0.20446061       0.18011173      -0.83792825
Cl       3.72445995       5.42988998       9.91105002      -0.45671029       1.02279905      -1.44406073
Cl       7.45164005       1.75468003       4.21250000      -0.64415893      -0.95885493      -1.19908165
Cl       0.93698396      11.32730005       3.56996999      -0.43587733       3.78123908       0.62525212
Cl       5.33367997      10.86580001       7.16434004       3.36645642      -0.26615578       0.50313168
Cl       9.83884004      10.88790000       9.86441002      -0.18807391      -0.04274528      -0.49474404
Cl       3.50106999       6.37288003       5.44114996       0.55727879       0.76996789       0.44256109
Cl       1.33505996       9.90120994       6.92965995      -0.47399486      -0.75898789      -1.06447455
Cl       8.26040003       6.48504002       3.49031995      -0.90725613      -0.63673718      -0.56409314
Cl       4.32090999       1.78896005      10.17300001      -1.70101823       2.22199001      -0.56275935
Cl       9.29808998       9.80252999       5.91572005      -0.01570858       0.45451995      -0.10997225
Cl       9.81626002       2.18645995       0.99163403      -0.21743045       0.02749667       0.18181726
Cl       3.72143996       9.42177999       8.77015998      -2.12352179      -1.25351445       1.64479540
Cl      11.45170002       5.22172995       1.93704004       0.60747172      -0.82044658      -1.87131776
Cl       2.04286995       3.04192996       0.64763797       0.53199110      -0.78341624       0.41560347
Cl      11.08990004       8.66778998       2.31152999      -1.70055704       0.94698987      -0.50874918
Cl       2.32478996       8.03589997       1.97105002       1.49053613      -0.63818548      -0.36411033
Cl       8.20439998       2.49712994       8.26653996       0.19680310      -0.93470196       1.02192571
Cl       6.05855001       4.56678002       0.04324521      -2.05431279      -0.62775843      -0.26109760
Cl       7.31455000       7.84113998       8.41231999      -0.53787674       2.82632222       3.50482518
Cl       5.65123995       8.08933003       0.03103585      -0.97514142       0.58934262      -0.54962024
Cl       9.63340004       2.93219004       5.41174998       1.90258718       0.71959465      -0.06852544
72
Lattice="11.65127569 0.0 0.0 0.0 11.65127569 0.0 0.0 0.0 11.65127569" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.60698553 stress="-0.014094524590381541 -0.003338818517604473 -0.005013318335646008 -0.003338818517604473 -0.021397326252883493 -0.004508025448775791 -0.005013318335646008 -0.004508025448775791 -0.019000886203669166" free_energy=-253.60698553 pbc="T T T"
Li       7.27362006       2.64750003       3.10471998      -0.10534874      -0.14052807       0.12479862
Li       5.91379000       0.93526002       8.81541997       0.79658937       0.51803165      -0.96575719
Li       9.66962998       0.98175804       1.53556998      -0.55590673       0.24774700      -0.63541099
Li      10.75949998       0.08369181       9.25618004      -0.33946833      -0.79153472      -0.38555310
Li       5.39719003       0.71559502       0.64416105       0.67882052      -0.36860389      -0.16548956
Li       2.44296002       5.40937004       9.83856999      -0.05209938       0.25616128      -0.13565848
Li       3.55167002      10.08540005       7.86388999       0.30397132      -0.25618081       0.13530241
Li       9.61071997       7.72473997      10.40250000      -1.13563580      -1.41388500       0.78154726
Li      11.24430001       8.03269997       7.23649000       1.60409459       0.73984423      -0.30741353
Li       8.70254998       5.12157001       7.27939000       0.20910687       0.21202709      -0.32517365
Li       0.01293839       9.58154005       2.80797002       0.32778062      -0.27884373       0.58920684
Li       4.80876006       8.94973995      10.30779995      -0.41862346      -0.40518723      -0.07650978
Li       0.59524096       2.95991000       8.36064004      -0.11620513       0.67667378       0.37072685
Li       6.09277002       6.55142004       8.69013998       0.39455745       0.56543528      -0.26040327
Li       3.94417994       7.98739002       1.80785004       1.17886604      -0.52785625       0.57469861
Li       7.87034002       8.74566005       6.85865999      -0.30091908      -0.02111411      -1.31253994
Li       8.67139995       3.08052004      10.33129999      -0.84293898       0.58506099      -0.13750581
Li       1.20531002       8.97344005      10.29810003       0.50893610      -0.40458384      -0.08983086
Li       4.44688006       3.75053003       7.09229999      -0.33348438      -1.07459043      -1.70737150
Li       6.11423994       5.50111999       4.62351002       0.91096805       0.90801390      -0.24335034
Li      11.25560000       3.37805995       3.79346999      -0.86034571      -1.11653713      -0.51585908
Li       1.17494004       2.08322001       1.15379997       0.39439001       0.82004582      -0.79681424
Li       4.83181001       3.56184997      10.26750005      -0.39636103      -1.41336262       1.91494914
Li       3.06788995      11.14030002       1.79551005       0.09513417      -0.20376697       0.74074079
Li       7.54003999       5.55987003       1.09912997       0.52585441      -0.78409736       1.29073856
Li       8.72822998      10.80319996       4.10952005      -0.49683575      -0.44208348      -0.05528412
Li       2.26459997       5.19243004       5.24066003       2.76207723       0.29436723       1.88808185
Li       9.63152996       6.62814998       3.98319995      -0.00998925       0.10907000      -0.02726763
Li       7.64361995      10.41880002      10.13340004      -0.41136817      -0.53799299      -2.07067741
Li       8.28744998       1.61629001       6.50737997      -0.20681579       0.44746218      -0.28690312
Li       3.78400997       9.11502996       4.76470996       0.72887564       0.21635968       1.08603340
Li       0.55080206       5.67728005       0.91688199       1.15821151      -0.41476013       0.52961721
Li       6.87465999       8.86715000       1.87894996       0.03924753      -0.21397772      -0.14949453
Li       1.03418995       0.38939297       5.83295997       0.42250080      -0.63499379      -0.39554964
Li       2.88737999       0.75714697      10.50369995      -0.87354640      -0.68748955      -2.78350895
Li       5.26589005       0.39824200       5.11834005      -0.73520789      -1.22764166      -0.74045095
Cl       6.57295999       2.39293003      11.05550006      -0.09799119       0.21630987       0.11929292
Cl       8.47039995       0.09443813       7.92880997       0.22646909      -0.93040160       0.82060449
Cl       5.99389998       1.80337000       6.30300995      -0.41097703       0.70569706       0.78038514
Cl       5.28158001      10.18419995       6.49212996       0.30344164       0.07421301       0.14204145
Cl       4.89271997       4.74389997       8.75659000       0.26904019       2.37572493      -0.11601976
Cl       1.51787006      10.66120003       7.55231997      -0.85572151       0.48676418       0.24270603
Cl       7.73203006       3.38390004       7.80449995       0.95037253       0.60610591       1.14508794
Cl       6.14535002       6.65640002       2.10737998      -1.00226635      -0.10288212       0.86620048
Cl       7.33935003       8.78923000       8.82872002      -1.28894750      -0.77596030       1.70130795
Cl      11.57373062       1.05370001       2.45561005       1.66191201      -2.27230278       0.63232538
Cl      10.65940003       6.89183000       0.63092695      -0.95888530       1.33139290       0.21861306
Cl       9.46854003       7.11726996       7.28687000      -1.29065188      -1.15498074      -0.21771475
Cl      10.74160001       9.05171996       9.43453998       1.12280110       1.70871183      -0.49789915
Cl       5.11061001       9.49238006       0.78544302       0.65603172       1.29780499       0.17900314
Cl       2.15536005      10.67999995      11.52969999      -1.84677261      -1.22462496      -0.24099291
Cl      11.11450002       8.18081005       4.73385005       0.70440996       0.14841493      -0.17038307
Cl      10.11780003       3.25943004       1.88931005      -1.60226029       1.21519723      -1.19688940
Cl       2.68535002       9.04282001       2.99274003      -1.91472577      -0.64518336      -0.44951713
Cl       1.36706002       5.09174997       7.59432002      -0.55964776      -0.29794395      -0.39709495
Cl      10.47099995       2.16063004       9.80985006       1.22718252      -0.11774018      -0.19487851
Cl       1.30782995       4.04331995      11.46179996       0.08810920      -0.27934344      -0.23052996
Cl       5.76337995       7.23380998       6.04615001       0.41017898      -0.64304112       0.28806187
Cl       0.69448000       4.98371002       4.26957001      -2.11507494       0.43119217      -1.73563707
Cl      10.59580002      11.47370570       5.00809999      -0.28899846       0.39564481       0.66600561
Cl       6.66733998       0.39333495       3.23524001       0.52349821       0.23212218      -0.39741638
Cl       3.37904006       1.66058001       0.43466703       1.13489121       1.98438050       3.33850513
Cl       8.10973005      11.34579998       0.06424234       1.24300437       0.97267301       2.61222531
Cl       2.73522004       7.57868995       8.79134995       0.47279159       1.30593278       0.12845890
Cl       4.49940995       4.26430002       4.68372999      -1.53795131      -0.68995409       0.18991385
Cl       2.67603995       2.54833999       8.84019000       0.67617156      -1.20363095       0.00437137
Cl       8.28383995       4.30320002       4.14606999      -0.13422787       0.68790335       0.72454162
Cl       7.79284995       6.05006996      10.88590001       0.17035198       0.18094622      -2.52570320
Cl       3.21190997      11.34109997       4.49524998      -0.65352024       1.89981894       0.01821202
Cl       4.70667997      11.27099996       9.95461995       0.54237175      -0.48258147      -0.82372281
Cl       3.17375996       7.00843003       0.30107001      -1.19423285      -1.42639880      -1.64821460
Cl       8.19341999       8.55058997       3.52235995       0.52094105       0.75333052       0.56808611
72
Lattice="11.54251459 0.0 0.0 0.0 11.54251459 0.0 0.0 0.0 11.54251459" Properties=species:S:1:pos:R:3:forces:R:3 energy=-249.89806214 stress="-0.023380861075912664 -0.00037835532745279717 -0.000764822950286306 -0.00037835532745279717 -0.027562712822478855 0.004407665352446516 -0.000764822950286306 0.004407665352446516 -0.021156202743162635" free_energy=-249.89806214 pbc="T T T"
Li       7.44210000       1.14704997       9.05999003       1.37391708       0.42792729       0.74623833
Li       5.36473005       3.77272999       1.36146995       0.58486068       0.66119756      -0.84811401
Li       0.11356299       2.91840004       9.44159999       0.14134368      -0.10473198      -0.57987280
Li       5.55650004       5.16916995       7.93806996       0.44841573       0.11935503       0.62041773
Li      11.00520003       8.46488002       8.02881005      -0.12123230      -0.31621603       0.35626991
Li      11.26770001       8.29942004       4.57774005      -0.38956800      -0.81616242      -0.25280947
Li       0.92634901      10.66270004       2.10347000      -1.75144286       2.04656760      -1.32421576
Li      10.85230003       0.26237405      11.07459998       2.66527748      -4.13075348       2.38348385
Li       6.60096995       9.96294998      11.14790002       0.57872959       0.62129010      -1.30977116
Li       3.01807000       9.83439995      10.96339997      -2.17908970       0.32592799      -1.25682117
Li       5.48775998       6.95940000       0.69647302      -0.55004781       0.20649722      -0.54591772
Li      11.30990002       5.43598995       7.09901999      -0.27533601      -0.41258752      -0.41729475
Li       7.79002001       8.95456001       3.23349995       0.65955766      -0.27505937       0.60260253
Li       5.54544000      10.86019996       6.32623005      -0.01125883      -1.39315352       1.48020820
Li       3.40347999       8.43772995       8.05138006       1.54114249       1.39690038       0.02991199
Li       2.07506999       5.74648002       9.90586001      -0.42562266       0.82668385      -2.23619530
Li      10.29359997       2.70439005       3.35106000      -0.39680326       0.44962068      -0.32888796
Li       9.61843997      11.06879998       5.37465996       1.74582385       1.72567693      -0.02109792
Li       6.92475999       1.05497002       2.84239004      -0.01782787       0.08113434       0.13621475
Li       2.03976005       1.24276004       7.63682002      -0.36949521      -1.03278596      -0.63032595
Li       1.76123998       2.73927002       4.12222995      -0.23124474       0.99167902      -0.86888984
Li       1.05805995       2.90688003       0.40127298      -0.33362432       0.76997094       0.99279085
Li       4.72621995       2.31823003       9.19720998      -0.10141436       0.38553351       0.00224632
Li       2.08193998       6.67340004       2.31749996      -1.02956090      -0.84060672      -0.01417303
Li       5.61692002       6.40638001       4.38665003      -0.61523223      -0.07960563       0.19478182
Li       8.49136005       2.51300003       0.33062206       1.70049746       0.05096052      -0.01550135
Li       4.00619005       9.85759002       3.02344004      -0.10066705       0.27129852      -0.23710417
Li       8.48867999       5.37484995      10.27250002      -0.22578741       0.23765812      -0.59312597
Li       8.59780997       5.36245998       2.26578996       1.06763291       0.25870750       1.09543540
Li       3.69305005       1.09532000       1.19696996      -0.58826343      -0.92841299      -1.55639993
Li       4.99831996       2.47193003       5.38127001      -0.23794492      -0.09131470      -0.06989690
Li       7.47384999       7.97757999       6.72146999      -0.31812803      -0.75745881       0.50486393
Li       9.96109002       8.39596001       0.28688100       0.48140701       0.42182336       0.33331416
Li       2.55528996       5.98314000       5.89974995      -1.34485574       1.82805049       1.41297503
Li       2.21061997      10.40399996       5.89702003      -1.19939462      -0.13931090      -2.26964258
Li       8.82336998       3.82723005       5.60881002       0.32567365       0.35540983       1.41899028
Cl       0.56488004       5.82722002       4.68369999      -0.52044818       0.61249110       0.18748051
Cl       6.57095999       1.91377004       0.18201299      -1.67373944      -1.97111234      -0.20439393
Cl       8.62287996       9.51487995       5.77816999      -2.09823784      -1.70816031       0.05496218
Cl       7.89276005       3.42700005       3.80818998      -1.01700040       1.01992579      -0.84090541
Cl       4.20505995       2.42616004       2.52385000       0.19398753       0.99331979       1.64162947
Cl       1.19364999       9.60754003       3.61513000       1.26940112      -1.65552983       2.05029889
Cl       3.36181001       4.74400004       4.75024997       2.61501371      -2.34323311      -1.53375353
Cl       5.18282994       4.80231998      10.53190003      -0.08026191      -0.12640539      -0.62629603
Cl       7.78573001       4.49315004       0.61751103       0.04913773       0.26180481      -1.78593526
Cl       1.89678996       1.35973003      10.76920005       0.25441778       0.10369050      -0.81059366
Cl       3.07543999      10.83940001       7.56905000       1.02179451      -0.95412418       2.43243843
Cl       4.68135005       9.03248999      10.62540005       1.88354661      -1.71600314      -1.18577278
Cl       0.36158543      10.00530004       0.07049914      -2.48411392      -2.06444674      -1.32186310
Cl       5.40291003       0.03008545       4.53774004       0.07108094       0.53218224      -2.33940821
Cl       6.57935001       9.62187998       1.62746005      -0.10031564       0.38292120       0.83899611
Cl       5.01052005       7.84149005       6.12617000       0.04176958       0.24451125      -0.18650192
Cl       8.78897998      10.97859996       9.88558004      -1.92245547      -3.60793179      -0.13318006
Cl       0.28858895       1.61698995       2.30971003       1.02422713      -0.65773679       0.07157240
Cl       3.85148999       7.68814001       2.53684998       0.46247916       0.24385866      -0.00669301
Cl      10.96429994       2.92214005       7.04556002      -1.19666092       0.39487817      -0.54200641
Cl       2.61534001      10.74819994       1.05912994       3.90285509       1.20583172       2.86429532
Cl      10.01319997       1.56580997      10.30379997      -1.45141247       7.93319477      -2.02165989
Cl       0.09654505       9.64028995       6.30783002      -0.08554330       0.33431319       1.23729358
Cl       8.80741996       6.17475002       6.03813997       0.23174602      -0.34511766      -0.05682781
Cl       2.36194003       4.90981000       0.02688540      -0.34691039      -0.87417857       3.05575672
Cl       6.61369003       3.04942997       7.52153997       0.00241859       2.04747913      -0.53494779
Cl       2.13855001       6.91333994       7.94199003      -0.03380837      -0.73152693      -0.55089583
Cl      11.23269999       6.33626004       9.29028005      -1.52685225       0.00726857       0.60252994
Cl       6.87238999       6.98327996       8.76433002       0.57673362      -0.06136073       0.38936568
Cl       2.13528002       3.14698996       8.15594000       1.43394537       2.16847288       0.74898208
Cl       2.44271004       1.23748996       5.27728996       0.25046761      -0.75354208       0.59044705
Cl       5.88102003       0.47119696       8.00896997      -1.22408678      -1.49138822       0.70505105
Cl      10.72230004       4.35889005       1.36498003       0.21221272       0.24815857       0.24047269
Cl       9.04342998       0.90461596       3.90783005       0.11423195      -1.33202778      -0.43240385
Cl       6.52941005       6.18465003       2.43713005      -0.06372475       0.56873846       0.98814806
Cl       9.81361997       7.95395004       2.63374005      -0.28633175      -0.05092599      -0.52036905
72
Lattice="11.45290659 0.0 0.0 0.0 11.45290659 0.0 0.0 0.0 11.45290659" Properties=species:S:1:pos:R:3:forces:R:3 energy=-250.57519505 stress="-0.026795684709569317 -0.00039224314088805363 -0.0016970728037726214 -0.00039224314088805363 -0.026360344797012283 0.00623460217202041 -0.0016970728037726214 0.00623460217202041 -0.03542946996171772" free_energy=-250.57519505 pbc="T T T"
Li       1.56896002       3.42286995      11.45279996       0.71487570      -0.08128171      -0.12794318
Li       4.58466997       9.49106000       4.24981001       1.45670665       0.85575300       0.21296087
Li       8.45715996       3.38873995       3.29218003       0.17636705       0.01939434      -0.44571982
Li       7.09396000       6.38121997       5.87385999      -0.44191578       0.13845078       0.60068689
Li       3.23652005       6.66291005       1.39805997      -0.60638004       0.82806556       0.31917542
Li       0.32117695       7.50630003       7.92329005       0.12673232      -0.02474177      -0.53451734
Li       2.39302001       5.83164000       9.06712001       0.74146603      -0.36892286       0.27178103
Li       9.18524998       2.08609001       0.59056294      -0.57618920      -0.61647710      -0.06948437
Li       9.95317000       8.48947995       5.07625003       0.14407605       0.10914012      -0.70158067
Li       0.23100604      11.27500000       0.85104705      -0.11138029       0.15260028       0.01465506
Li       3.17053001       7.67329005       6.65021004       0.59181522      -0.44113933       0.80851393
Li       7.91307005      10.78739995       2.74681003       0.21732648       0.32237886      -0.16186429
Li       5.47501000       1.57247995       5.32291002       0.22964178       0.05951232       0.50474424
Li      10.13089999       4.28888996       6.06985003      -0.23785080       0.20223121       0.39613321
Li       9.54635005       4.79559002       9.84966001       0.11201413       0.10734819       0.39362744
Li       5.42311001       4.26268994       8.24382003      -0.09779218      -1.01952933      -0.03323807
Li       4.33233003      10.62239998       1.33166999      -0.20480326      -0.02255989       0.36111406
Li       3.83475003       0.62025002       8.44316005       0.42619600      -0.54845550       0.49280427
Li       8.15257999       7.28516995       2.61497997       0.02818533      -0.15324896      -0.01215292
Li       1.82825004      11.29550002       5.80364004      -0.23292104      -0.97093662      -1.46291311
Li      10.74000003      11.23119996       8.55206001      -1.15835202      -0.13527656      -1.33098321
Li       2.25378004       1.74837003       3.14764000      -0.31403434       0.00362740      -0.24009437
Li      10.40929999       1.10310995       5.03917995      -2.26700791      -3.38260917      -0.54806639
Li       6.43391995       5.84965004      11.19740003       0.62742775      -0.21769195       0.10562313
Li       2.28518998       9.89335995      10.58950002       0.55486059       0.22362130       0.03394236
Li       4.90134994       4.22663001       2.49235004       1.62616816       0.40572222      -0.54914260
Li       1.57768003       5.36981001       4.26244004       0.32346922      -1.44189367       0.50177023
Li       6.80893999      10.22689997       6.73943001       0.22686682      -0.20102353       0.20821844
Li       7.22644998      10.64459996      10.82129998       0.38703409       0.05632927      -0.26269425
Li       5.01662998       8.24220002       9.40493002       0.75836856       0.12103249      -0.76552275
Li       1.36564000       8.55394000       3.35673995      -0.41669265       0.37117734       0.11121004
Li       9.09336996       7.89640997       8.79560996       4.89204524      -1.30297464      -6.47599132
Li       5.17279998       2.08418998      10.82689999       0.03721436       0.09280548      -0.03637155
Li       1.41858999       2.72271998       7.53995005      -0.44321208       1.08330874       0.04330117
Li       7.58947001       2.08380997       8.26061996       0.70079517       0.86831739      -0.15485032
Li      11.22609999       7.36761003       0.82959896      -0.21715111      -0.11953494       0.20600181
Cl      10.90949996       3.16986001      11.38850002       0.06356667       1.05695165      -1.77427795
Cl      10.29750004       8.26468997       2.92937005      -0.65957169      -0.37423009      -1.08846887
Cl       1.58131999       6.31272999       6.11103995      -0.83525323      -0.55692500       0.92329763
Cl       7.08714999       4.23532998       9.49433999       1.04682861      -0.22455984       0.77695512
Cl      10.43989998       1.81807001       2.36242002      -0.55227913      -0.26314414       1.97719631
Cl       2.92776996       3.90891997       2.75742996      -0.88221599      -0.85966642       0.62912311
Cl      11.33240002      10.50070003       4.62207998       0.65167606       1.12056656      -0.38115782
Cl       4.27374005       5.38682995       0.16495301       1.03938453      -0.00884846       0.30074419
Cl       0.40398903      10.54420000       9.94630994       0.94513468      -0.87532072       1.65477040
Cl       7.04410997       0.16789343       8.70071003       1.20587373      -2.68553609       0.66029057
Cl       8.10584996       8.27318998      10.06429996      -5.99456078       2.40523008       6.25254291
Cl       2.57466998       0.60945795       1.16264994      -0.93998548       2.27873083       0.74421614
Cl       9.47832998       6.01512003       7.89707996      -0.85155757      -1.15511463      -1.19012398
Cl       0.01879319       2.55626997       5.26646998       3.58427576       4.70834960      -0.16629546
Cl       3.21166999       3.60877994       9.53904000      -1.57877131      -1.22278060       0.38848532
Cl       4.44301000      11.21699996      10.64980003       0.83793654      -0.62418190      -1.20234670
Cl       8.54689005       5.97819001       0.74886296       1.04197587       0.00295109      -0.87896873
Cl       9.32298000      11.15470005       0.27788897      -0.60872302      -0.41950580       0.30919446
Cl       2.99509003       7.97373999       9.82562998      -0.60160870       0.32702509       0.04981202
Cl       8.12054999       4.79126999       5.06034996       3.32145676      -2.62184158       4.19414909
Cl       3.61010997       0.81872397       4.63521005      -0.25414840      -0.14296103      -0.19657387
Cl       2.09262000       9.31524001       1.26115994      -0.11420632      -1.63688192       0.67305046
Cl       1.31667997       6.36246000       2.57154001      -0.58710722       1.06571218      -1.75330620
Cl       2.88779004       8.93234003       5.02155003      -4.01306698      -0.22353173      -2.32566099
Cl       4.76391999       9.21928000       6.69289995       2.45962363       0.63776379       2.62117189
Cl       7.85439005       8.28713996       5.49932005      -0.71164219       0.41879942      -0.29360313
Cl       6.94005997      11.43349483       4.84619000       0.71827987       0.95813331       0.04111721
Cl       4.33618004       5.90643000       8.06887001       0.59820363       2.00891094      -1.52475543
Cl      10.19600003       1.46494999       7.51458002      -1.53746702       0.85538691       0.55442900
Cl      10.55149996       8.92658002       6.96663999       0.24708142       0.81916468       2.29718809
Cl       6.80369995       1.73370000       1.12057002      -0.32898869       0.32744798       0.11646664
Cl       5.96863004       9.51251003       2.64818000       0.15337284      -0.55453665      -1.51155824
Cl       1.93597001       0.76920298       7.58803003       0.00461399      -0.69394427       1.02607086
Cl       6.99383996       5.26725004       3.05577005      -4.05636359       0.63279698      -3.64459641
Cl       5.30795000       2.09118003       7.97329001      -0.54798218       1.06919967      -1.96608377
Cl       0.37587603       6.08021995       9.44495002      -0.03775510      -0.52212864       2.03437302
72
Lattice="11.42212207 0.0 0.0 0.0 11.42212207 0.0 0.0 0.0 11.42212207" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.62495044 stress="-0.03379614785725876 0.00797204593687203 0.004216155492661649 0.00797204593687203 -0.015574656511677392 0.001799188174747332 0.004216155492661649 0.001799188174747332 -0.03333402855631034" free_energy=-253.62495044 pbc="T T T"
Li       3.07790005       1.06493995       6.00106003       1.15075198       0.08708371       0.13742095
Li       3.87891005      11.01249999       1.26038000       0.38453695      -0.95041750      -0.48231560
Li       3.07552002       8.32821004      11.05030001       0.16614408      -0.10900038      -1.05086507
Li       0.77709597       2.12030006       8.06924997       0.14340823       0.15350466       0.26373580
Li       6.01191996      10.47890002       7.89143997      -0.75219428       1.34550243      -0.01741941
Li       6.45240998      10.63669995       3.55962005       0.29505829       2.16127678       0.95090595
Li       9.67237005       8.49188002       7.69647999       0.35122151       0.22007641       0.38301712
Li       8.94237000       4.93489997       7.25536997       0.55945105       0.53316983       0.39469879
Li       2.03754004       7.33863999       2.08592998      -0.09620818      -0.35776388       0.83799915
Li       4.18342999       4.05729995      11.32900002      -5.24600313       1.69306060      -0.55004848
Li       7.45037004       8.67073995      10.49970005       0.82742392       0.10534255       0.04532349
Li       0.17341603       3.44379002       5.16487001       0.39939104      -1.30686650      -0.66286820
Li       5.63086997       6.51412999       9.07413001       2.49009382       0.54891505      -0.54049159
Li       9.64372005       0.93597506       2.69753995       0.59288653      -1.97191756      -1.33415907
Li       5.74762005       7.16810005       1.79342999      -0.54624700       0.24235327       0.90024992
Li       8.55708995       7.91300002       3.01736006       0.35429084      -0.15052017       0.00680874
Li       0.01347788      10.31530005       0.19608403      -0.27627187      -0.20211746       0.04862298
Li       7.23397999       7.94571001       5.72036001      -0.10892870       0.28087967       0.21964669
Li       1.77156005       4.92517997       8.92411003      -0.23890084       0.16803788       0.11018934
Li       7.82598995       2.38772003       5.41028995      -1.12313054      -0.02309343       2.27480995
Li       6.23275001       2.76544001       9.31218005      -0.08734171      -0.42882149      -0.16341628
Li       1.41698997      10.77109995       3.40522997      -0.20860747       0.09106937       0.34379915
Li       0.66986097       2.52931003       0.32002399      -1.27692094      -0.63903627       0.38376116
Li       3.80119005       7.58181000       6.41078000      -2.87669447       3.32509328      -0.74469339
Li       1.75522996       9.99914999       8.03429005      -0.39469112      -0.62733067       0.42284749
Li      10.92740004       6.80770000      10.53330005      -0.48515866      -1.59920498      -0.64742954
Li       7.07169003       0.68350595       0.36961496       1.19969316       0.25582958      -0.77194524
Li       0.27063896       6.89142005       5.17875005       0.19853814      -0.12553414       0.61002072
Li       8.15954995       5.39087999      11.32170003       0.02829463      -2.15797767       4.90902742
Li       2.88764004       0.79610101      10.05890002      -0.02219433       0.13439735      -0.04008943
Li       3.22202004       3.99719995       4.04204000      -0.42562071       0.18652824       0.89534016
Li      10.51230002       0.35396996       5.71963003       0.75572398      -1.01263665       0.14092826
Li       9.51475995       0.99519099       9.18557999      -0.24479778      -0.34149011       0.60720701
Li       5.44344003       2.88631005       2.49482002       0.44177376      -0.53987973      -1.94819518
Li       4.54720002       3.41044005       6.68311995       1.39162317       1.04512645      -0.33582540
Li      10.56159995       4.39616999       2.54664995      -2.91837941      -0.13334054      -1.26237017
Cl       4.92768005      10.94260003       5.95203000       0.16482471      -0.28255585      -0.37233153
Cl       8.03304002       6.01140996       9.70628004       0.77431756       1.46302777      -6.35291398
Cl       2.27458997       8.00026995       4.44017006      -0.54944369      -0.11628866       0.00358340
Cl       7.38721005       9.05185001       8.30748997       0.53944950      -1.49226501      -0.56306636
Cl       2.58566004       3.22646999       6.03004001      -2.05561961       0.27585749      -0.52602362
Cl      10.24739999       1.59426999       7.26701997      -0.51036301       1.27726580       0.71704663
Cl       9.35920002       9.74314003       2.31391005       0.67114053       0.76511684      -0.23180832
Cl       0.37893198      11.05374401       9.50437005       1.81574648       0.55451621      -1.13025087
Cl       3.71031999       8.59590997       1.59459997       0.60958453       0.57316929       1.12900119
Cl      10.23099999       8.66971995      10.51869995      -1.76939648       1.11218681      -0.20730693
Cl       2.18337004       3.12914003      10.58729996       2.82883773      -0.73848668      -0.48091079
Cl       1.52299001      11.15419998       6.26398997      -0.58079193      -0.39101226      -0.44748096
Cl       1.90484000       0.24377790       1.21296003      -0.93364927       0.22601677       0.42738686
Cl       4.13861998       2.06404999       8.19785998       0.27953227      -1.19894036       1.50280168
Cl       6.49019002       8.71718995       3.41277005      -0.19574678      -3.09589373       0.38575774
Cl       5.97085001       7.22098996      11.18080004      -0.60804364       0.51572620       0.48696328
Cl       0.78017697       4.61804996       3.41539006       2.29715289       0.84476593       0.79618419
Cl       7.27711998       3.65231000       7.51044001      -0.50539939      -0.69126922      -0.55058240
Cl       3.70389995       4.13654995       2.09193002      -0.61097207       0.90906842      -1.57592651
Cl       4.30858001      10.35939995      10.36969996      -0.56507975      -0.02686383      -0.59341898
Cl       9.33266003       6.99284997       5.98639997      -0.70928773       0.33493073      -0.71893774
Cl      11.28792207       1.20726999       4.04402002       2.07751652       0.41578880      -1.31291343
Cl       9.18364006       6.08084002       1.73147000       0.07124440      -0.23528213       0.38718118
Cl       7.12413996       0.44987604       9.67590005       0.25708609       0.60847630      -0.55297180
Cl      11.16040002       4.05121002       9.91210999      -1.75216225       0.65189342       0.00396262
Cl       5.31226998       3.24392996       4.39824002       1.01635109      -0.18250687       2.69183606
Cl       8.78778003      10.74819996       5.58667995      -1.60429559      -1.08846658      -0.12519782
Cl       4.83496006       6.11966004       6.57585000       3.29376784      -2.77930488      -0.88564291
Cl       5.87108005       3.57721000      11.41979995       5.93620697      -1.68985565       0.12564619
Cl       8.61499999       2.30210003       3.65025002      -0.86662589       2.03594212      -1.61167715
Cl       0.78932495       7.82794005       7.80179002       0.26331893       0.04170287      -0.18444876
Cl      10.05100003       0.67422000       0.03307789      -0.96064900       1.51521958       1.45217868
Cl       1.27869000       7.05509003       0.10531596       0.89882864      -0.33421595       0.36499751
Cl      11.12780003       4.63036998       6.69244999       0.07120610       0.92270354       0.95303381
Cl       3.84242003       5.88381001       9.21078999      -3.04621915      -1.04250475       1.42048969
Cl       5.73701004       0.46175196       1.86037002      -0.44438151       0.44203957       1.24153198
72
Lattice="11.35037525 0.0 0.0 0.0 11.35037525 0.0 0.0 0.0 11.35037525" Properties=species:S:1:pos:R:3:forces:R:3 energy=-255.10444236 stress="-0.027370076532576004 -0.0034318258727646014 0.003941654401901506 -0.0034318258727646014 -0.02249850339970708 0.004080568905527747 0.003941654401901506 0.004080568905527747 -0.018741232976553494" free_energy=-255.10444236 pbc="T T T"
Li      10.46040004       9.07979999       1.06548004      -0.09875855      -0.63437212       1.32313518
Li       3.57508002       2.03591000       8.78869998      -0.09805975       0.02338732      -0.40859646
Li       2.31752995       4.89118997       3.56462995      -0.13661860      -0.45322302       0.42744578
Li       3.10560001       2.52903999       1.16237002      -0.43316025      -0.14299918       0.49563332
Li       7.66411002       3.13352000       1.76698000      -1.61421006      -0.66077758      -0.65255779
Li       5.75551003       4.44956003      10.92990003       0.57210628       0.69027314      -0.11051664
Li      10.95080004       2.80652000       3.47918002       0.04420138      -1.33510635       1.75482687
Li       5.85048997       6.70988999       7.76719004      -0.04182501       0.02348315       0.50336696
Li       5.83562995       0.35748098      10.05349999      -0.46418218      -0.17401635       0.90000988
Li       4.10469000       8.15861000       5.25423002       0.30853155      -0.09440551       0.21026789
Li       7.56762003       8.18957996      11.11390006      -0.17175353      -0.66843958      -0.90058423
Li      10.26540003       6.84778002       8.99032998      -1.46967917      -0.73146439       2.16932884
Li       9.04401997       5.38440997       0.78533201      -0.12887460       0.91593057       2.06039676
Li       1.25903005      10.15379996       3.12190005       1.23351090      -0.35951679       0.36042609
Li       3.70642997       4.50014003       6.16081002       0.07389350       0.26129400       0.55448132
Li       7.78836996       1.01912999       5.11645996      -0.50948013       1.02941212      -0.65304193
Li       0.98772100       6.30962003       1.46654998      -0.13790589      -0.17128159      -0.76417293
Li       7.40815997       3.59646004       8.24036006       2.03737698       0.08396125       0.12270329
Li       9.10645998       0.18755598       0.61850896       0.23202055       0.41306128      -0.46775059
Li       6.37993004       5.21874000       4.16672003      -0.33547020       0.65051354       0.23818847
Li       4.49586003       1.30052997       4.37742000       0.97808191      -2.99778063      -0.69619389
Li      10.63110004       3.20993005      10.77100000       0.06493666       0.10160497      -0.19502553
Li       7.15933000       9.63176999       7.74845999       1.50676412       0.29762068       0.00160642
Li       9.77274006       5.59832005       5.30890999       0.06319058      -0.30807126       0.59328552
Li       5.86535998      10.54960003       1.67288005      -0.23779719      -0.32148231       0.41243995
Li      10.07090000       9.30624996       5.01380001       0.39286804       0.66364383       0.45670916
Li      11.14479998      10.15090006       8.94002999      -0.94930708       0.90844856      -1.82598765
Li       2.53017003       5.29120999       9.28660996       0.43464314       0.39503720       0.42541713
Li       0.48702099       3.48117995       7.17150998      -0.35981942      -0.24254465      -0.31946106
Li       7.56260997       8.35349004       3.44133003       0.19850223       0.23269441       0.13758122
Li       3.19996998       9.91974002       8.34640003      -0.67048315      -0.00639516      -0.21853355
Li       1.16279998       0.34823405       6.34142003      -1.42221618      -0.94443205      -0.68688195
Li       1.43225005       7.13153997       6.31112997       0.00794622      -0.69666393      -0.70205316
Li       4.33733002       7.24191000       1.72229005      -0.10544423      -0.89821739       0.31625819
Li       9.34934995       1.27296002       7.86237996      -0.03305727       0.01092776       0.28344242
Li       2.40308000      10.60020001       0.17363395      -1.37060090      -1.71247087       2.89807959
Cl       5.46415997       3.50886000       8.19388005      -2.41268293       1.81767570      -1.30462089
Cl       0.90416397       3.60263998       2.19948003       2.54217734       0.82965798      -1.56406911
Cl       8.31615003       9.59302003       1.17574996      -0.62512247      -0.42457274       1.08782668
Cl       6.99136000       1.10931996       8.53044001       1.05022703      -0.03930103      -0.97742921
Cl       4.17809004       5.99528001       4.20088999       0.04582035       1.14226791      -0.82751338
Cl       6.57924002       1.11489004       1.01772005       0.47515930       0.62539654      -0.58402829
Cl       3.17728001       5.90085000       0.26485806      -0.45995511      -0.09753768       0.03881892
Cl       5.11737003       9.40569003       7.83016998       0.15559808      -0.66638993      -0.20350944
Cl       8.52324001      10.56700005       5.78533995       1.14826732      -0.55005741       1.47455838
Cl      10.99100001      11.08340001       2.39429004      -1.38400659       0.88088286      -0.17826743
Cl       2.67926005       1.45829996       6.71338999       1.55431347       0.21850718       1.72983631
Cl       8.42562996       4.11931996      10.82929995      -0.99967866      -2.68296680      -1.81082280
Cl      11.04330004       7.37126001       7.34686998      -0.17769643       1.31318240      -1.43548418
Cl       0.90306605       3.91795000       9.16590995       0.14227898       0.29805031       0.94096244
Cl      10.97660002       1.95655998       5.84916005       0.28174457      -2.29192429      -1.17592700
Cl       0.00916815       9.46570004      10.68180001       2.93837246      -0.64078189       1.44720573
Cl       7.09373006       3.28163003       4.06530999      -1.00996752      -1.45808421       0.89978890
Cl       9.79697004       7.50963005       4.13514998      -0.74487247      -0.90857107      -1.08899027
Cl       6.77651000       6.30646996       1.08226997      -0.33185982      -0.07919654       0.88232795
Cl       6.38525995      10.56330005       3.88884003      -1.05380968      -0.17975261      -0.22765379
Cl       3.15621996       0.02890850      10.01380001       1.31858756       1.35626851      -2.62114881
Cl       8.84269996      10.06149996       9.34951998      -0.72779863      -0.23654721      -0.67153462
Cl      10.32900004       6.71228004      11.26450001       1.26622843       0.16203826       0.64804264
Cl       7.87413998       6.79774995       9.14311000      -0.89050578       0.21704649      -0.36982273
Cl       4.25983998       2.94655004      10.70240003      -0.64560153      -0.44224223       1.19052737
Cl       6.85025997       6.79533005       5.84562997       0.23183266       0.22796570      -0.82319312
Cl       3.84017995       3.01350999       4.70731003      -0.83622066       2.39251042      -1.32919202
Cl       4.62014005       8.97335004       0.64175896       0.34470176       0.90522249      -0.74147689
Cl       1.36006995       7.99098006       2.83023003       0.42659467      -0.39508624      -0.03526352
Cl      10.92759999       1.13989004       9.93705002      -0.40813851       0.12506207      -0.16246067
Cl       9.33914006       3.80097995       6.99542003      -1.23167317       1.07945884       0.80067543
Cl       9.36098999       3.66908995       2.58962001       1.37923311       1.47423051      -0.59872226
Cl       3.12162004      11.26259996       2.50942995       0.13008015       0.78488660      -0.09070918
Cl       2.21691001       9.09787001       6.16644004      -0.22465116       1.88215352      -0.31321556
Cl       3.14453997       6.34600002       7.32678005       1.46891424      -0.09686417       1.33836510
Cl       1.01760995       4.91708006       5.65322998      -0.09576105       0.30977869      -1.38755354
72
Lattice="11.30718446 0.0 0.0 0.0 11.30718446 0.0 0.0 0.0 11.30718446" Properties=species:S:1:pos:R:3:forces:R:3 energy=-258.97592401 stress="-0.02371135399606001 0.004357297846796792 0.00411299890689305 0.004357297846796792 -0.01193222005727073 -0.0025147857905879136 0.00411299890689305 -0.0025147857905879136 -0.018835756987223666" free_energy=-258.97592401 pbc="T T T"
Li       5.89723006       7.64584000       3.52692997       0.61612807       0.61681071       0.27214349
Li       3.25854999       9.87194997       2.77148996      -0.08269895       0.65022863      -0.43545320
Li       7.14655001       2.47495000       6.37820998       0.10313051       0.18249765       0.22259840
Li       1.93926999       1.58647996       5.43908002      -0.66312983       0.19072247      -0.44878821
Li       9.77129002       2.49206004       1.19101005      -0.09658773       0.10407230      -0.06653434
Li       8.98929000       0.24647695       9.37459000      -0.69063365       0.11695961      -0.53743415
Li       8.24563005      10.02630005       6.53732004       0.00893939       0.00114138      -0.15759651
Li       0.52002996       6.79282001       1.82576994      -0.94760306       0.32521611       0.45902397
Li       0.58741603       4.63971002      10.81980003       0.13772565      -0.55010599       0.17814462
Li       7.16787005       8.38844002       9.51777005       0.39525012       0.19790342      -0.44713453
Li       9.04965002       6.20549002       0.87919601      -0.37547193       0.09847475       0.30911485
Li       4.61734995       5.81425997       7.53474001       0.83442496      -0.13883220       0.89129134
Li      10.29630001       3.38912999       8.04898997      -1.53965872       0.38180497      -1.25021146
Li       3.21543004       2.67010997       9.19561005       0.05127008       0.05709940       0.32725026
Li       3.72282004       2.65594999       1.50575005       0.37879341      -0.18232395       0.02563707
Li       9.41617998      10.47670003       0.77517602      -0.13933850      -0.80046595      -0.26488277
Li      10.38170001       4.88261005       4.21665001       0.42066046      -0.44683999      -0.13588565
Li       7.36844005       4.34092999       9.86393001      -0.77963164      -1.32135526       0.22463411
Li       1.11310999       5.82199997       7.43479999      -0.26095141      -1.97824604      -0.86762025
Li       0.05305026       0.66879701       8.16076002       0.77744415       0.15071682      -0.33602813
Li       5.47945006      10.68130003       0.80400300       0.06442881       0.04466353      -0.25753839
Li       4.83991005      10.74319996       5.94897999      -0.71643127       0.21703918      -0.55210379
Li       4.25689997       3.54588002       5.01789995       0.76236720      -1.53046383      -1.10606724
Li       2.85308000       7.61855995      10.67440004      -1.59059972      -3.40957836      -1.34657596
Li      11.05579997       9.96888002       3.25972005      -0.36027222      -0.49933010      -0.62521116
Li       6.95736996       4.52848995       3.64555002      -1.16186141       1.08061806      -1.20053474
Li       2.88599997       6.07339995       3.82272998      -0.94322919       0.79511375       0.51280434
Li      10.02189997       1.54174998       4.60259000       0.22083132       0.10826425      -0.12720978
Li       7.03629999       1.29656997       3.10254001      -0.26725686      -0.78171399      -0.00495156
Li       4.54609003       5.73677003       1.17501999       0.38960621      -0.23852674      -0.33529592
Li       2.05894998       8.74941996       6.50614998       0.03248732       0.73100427      -1.18704594
Li       1.37417999       0.24356603      11.23009999       1.63064460       0.71371134       0.73515332
Li       8.12891006       5.87942995       6.87130001      -0.34129928       0.60270446      -0.80448364
Li       9.49617005       7.87957002       4.42518005       2.95428069       0.30524058      -1.38186229
Li      10.94180003       8.37751999       9.65559005       0.04195768       0.40398152      -0.06105922
Li       5.10709995       0.23369304       8.86663001       0.24431704       0.37627163      -0.02969686
Cl       9.87232005       8.21172003       2.05102003      -0.55039713       0.73078081       0.35393866
Cl       0.87905704       3.11399001       8.47309001       1.96348084       0.42226580       0.02677585
Cl       0.87833101      11.23160000       2.04207005       2.11567828      -0.29851187      -0.09785309
Cl       6.16424006       2.51139001       8.52073995       0.12776159       0.06016152      -0.38127412
Cl       9.55679002       0.93169900       6.85248000      -0.37575969       1.13097913       1.18275232
Cl       2.32133998       6.03697001       1.16999994       0.25658490       0.64984667      -1.18112399
Cl       1.04994003       7.74396996       8.00348998       0.60896012       0.78536571       1.06073590
Cl       9.39919998       0.54045198       2.35452996      -0.99383959       0.40757535       0.53887625
Cl       3.89021002       4.51375997       2.95072003       0.66022198      -1.18692939       0.52054798
Cl       2.53995998       0.68312298       7.22122006       0.25804180      -1.12884178       1.56132181
Cl       0.66803004       7.14149005       4.21942005      -0.00569265      -0.49216840       0.12901577
Cl       3.71502995       1.16871002       4.37625997       0.65493526       0.06962280      -0.82394341
Cl      10.08200003       5.29254999       6.45730000       0.90142420      -0.29510083       0.10936244
Cl       0.57788103       3.16595002       4.81349997      -0.34731080      -0.22503114      -0.40982223
Cl       7.85963002       7.82988998       5.33212999      -2.69919239       0.33562246       1.24371619
Cl       3.61459004       9.08424005       0.12833903       1.61363656       3.05674989       1.69084024
Cl       8.23236005       3.03621003       3.66021001       3.79893405      -0.64406014       2.43137436
Cl       1.96596004       2.60942002       0.04899132      -0.69673505       0.34448509       0.30116438
Cl       3.43114997       5.01952999       6.04027001      -2.13880920       1.39369518       1.11728107
Cl      11.03719999      10.27980000       5.27945005       0.42261816      -0.47173244       0.62624716
Cl       6.56696997       4.93232005       5.66396001      -0.75249337      -0.45103245       0.87720742
Cl       5.61486003       9.67833004       7.72702004      -0.21166133      -1.20741282       0.73603144
Cl      10.81539996       6.70780005      10.95639998       0.55889493       0.43126408      -1.50298986
Cl       6.75629000       6.37363996       1.92879999       0.16646026       0.03239228      -0.39508997
Cl       7.44458003      10.48920001      10.71970002       0.02017007      -0.25737334       0.16118711
Cl       4.22552005       5.01156996       9.87383996       0.05894232       0.71188074      -0.40341628
Cl       9.40427001       3.31549998       9.96328997      -0.47398504      -0.76854116       1.18176474
Cl       4.43673995       1.00674998      10.81720006      -0.00513361      -0.33167724       0.28887000
Cl       9.43067002       9.02497005       8.32168003      -1.10144605       0.45971947      -0.31146977
Cl       8.08373005       6.01243998       8.91369006      -0.70213948       1.59395369       1.08705055
Cl       3.83187003       8.22517004       4.09362004      -0.31485192      -0.23829019       0.80058124
Cl       6.05859997      10.35149999       2.95748998      -0.24466465      -0.27829895      -0.64600453
Cl      10.54480004       4.59649995       1.52043006      -0.22197326      -0.65241649       1.44771862
Cl      10.92029998      11.14660005      10.32950005      -0.62035437      -0.38813510      -0.71636918
Cl       6.29164003       3.05155004       1.93050003      -1.70896072      -0.49397851      -2.26705191
Cl       6.69123005       0.39892199       5.73541000       0.87062269       0.61869320      -0.52854329
72
Lattice="11.23566701 0.0 0.0 0.0 11.23566701 0.0 0.0 0.0 11.23566701" Properties=species:S:1:pos:R:3:forces:R:3 energy=-253.54388977 stress="-0.02469275417977688 -0.0026836531904036133 0.002156176956492511 -0.0026836531904036133 -0.02652838617054423 0.00021704952842612347 0.002156176956492511 0.00021704952842612347 -0.03473855821976054" free_energy=-253.54388977 pbc="T T T"
Li       9.48596996       7.84459001      10.13829997       0.46437535      -0.83890068       0.02801250
Li       5.95977002       3.64468005       2.96547004       0.05930255      -0.54577326       1.57153954
Li       0.35467697       7.02050002       3.64148002       0.17819321       0.16290640      -0.10991778
Li       7.15878995       5.65251003       5.54737003      -1.04722369      -2.05529868      -1.49991182
Li       8.26985001       0.77334399       1.15215001       0.39511018       0.14356086       0.55834121
Li       8.77572996       4.16314001       8.88380000      -2.87524492       3.25296386       1.51520728
Li       4.98949995      10.64329995       3.30705005      -0.19041070      -0.90017864       1.23484914
Li       2.38335002       0.88228401       1.21698004       0.48739234      -0.20582175       0.51697413
Li       9.01537000       4.85638999       1.56794003       0.14614556      -0.62223225      -1.70177417
Li       4.63653001      10.87449998       7.37781996      -0.29775284      -0.08384962      -0.31860967
Li       1.67100997       9.01055001       6.37015995      -0.19518532       0.73692146       0.16032164
Li       7.97633001       0.27841399       8.62376004      -0.31262297       0.00295652      -0.28183776
Li       2.26759996       4.90754003       5.26132995       1.41624877       0.05951931      -0.04549665
Li       2.93063004       4.02679002       1.33182001      -0.40644120       0.65440785      -0.66440031
Li       8.37880003       8.11868995       2.56033998      -0.16034692      -0.12789749       0.51829163
Li       2.52673005       1.15755999       4.81288998       0.41827281      -0.23456503      -0.16571102
Li       1.04944995       9.28696000       0.99398901      -0.47339501       1.60735137       0.25863408
Li       0.12951904      10.49309998       9.38177004      -0.57208288       1.16035116      -0.49482437
Li       4.22958999       7.61723000       4.94462998      -0.30535935      -0.49943875       0.27253219
Li       6.64131996       9.17338999      11.09710000       0.44429189       0.03918093       0.10011955
Li       3.86895003       5.83445997       8.30083000      -0.60313600      -0.30853955      -1.07461165
Li       6.64626995       7.65726998       8.18352998       0.77936964       1.77525674      -1.67474615
Li       8.04236000       9.31604004       5.99978001       1.16806207      -0.36140414       0.29357896
Li       1.03788002       5.83603005      10.71110001      -0.45484687       0.11270156       0.17657334
Li       7.37496003       0.98830803       5.05091995      -0.06286110      -1.88916201      -0.34699821
Li       2.60379999       1.69861005       8.88855999      -0.10313431      -0.66524433       0.53868125
Li       6.02898004       5.36836001      10.96249997       1.01557137       0.96939188      -0.83741626
Li      10.15609997       1.77514000       6.60076999       0.10750393      -0.36942258      -0.62838302
Li       4.33476999       7.23390005       1.87167999      -1.21061151      -0.36528112      -0.38784687
Li       5.07509000       2.80292005       7.02884003      -0.10384890       0.27161689      -0.47868028
Li      11.05829998       2.94801004      10.41429998      -0.18403606      -0.21505473       0.15863366
Li      10.51879999       6.02891004       6.76644001       0.15335925       0.25401801      -0.51909857
Li      10.13120004      10.64480002       3.87518998      -0.64377462       0.99317875       0.11382135
Li      11.11079999       3.27262003       3.08776005      -0.27694356      -0.33687871       1.49906799
Li       3.24313000       8.86937003       9.92988004      -0.40074379       0.34915803      -1.42229639
Li       5.63073003       2.10580995      10.93519999      -0.00832472      -0.01098636       0.52342434
Cl       9.09048998       9.90271995       9.95439997      -0.94526856       0.65106831       0.66535339
Cl      10.12059998       9.55482999       2.13657994      -0.36559124      -0.86879206      -1.80379925
Cl      10.27029996       5.54126996       8.94963000       1.04868542       1.74473186       0.33510442
Cl       7.76206999       6.67566998      11.01079997       1.41229170       1.13469837       1.39201141
Cl       0.55237000       0.35481495       0.20529597      -0.67409407       0.79696939      -0.39856608
Cl       8.28429998       3.32429994       0.16557002      -0.45658360      -1.07966030      -0.61647307
Cl       5.40475998       4.14702998       1.06021001      -1.36577860      -0.81357544      -0.00557633
Cl       9.53436995       2.61087003       8.44884003       1.82821864      -4.29590947      -0.73362187
Cl       6.12644002       0.16486701       1.87996001       1.52752852       1.33695618      -2.50719639
Cl       4.42977003       8.33455004       7.21409000      -2.20923905       0.15178218       0.39123178
Cl       1.86514005      11.15690004       7.33842996       0.14700221       0.36024051       0.07262489
Cl       3.73626994       0.89092604      10.69840000      -1.02238024      -0.33813362       1.03520596
Cl       5.64503000       1.44416006       8.83099001       1.62446862       0.52214216      -1.49231142
Cl       2.86833995      10.51179995       3.07750998      -1.39522572       0.08846260      -0.37105187
Cl       5.70741997       6.30460994       9.17549005      -1.56381213      -1.86702973       0.69074927
Cl       7.27711996       2.98444001       5.14500001      -0.22389379       1.97461072       0.26905669
Cl       1.73218997       7.06795004       5.61602996      -0.41704226       0.08343456       2.25863093
Cl       9.39122003      10.87640004       7.02516001       0.97929716       1.30084906      -0.42605202
Cl       5.07079000       5.53850003       6.24282995      -0.46616659      -1.13483841      -0.61741180
Cl       4.74050004       0.76782796       5.13825996       0.30731841       0.23867538       1.17229693
Cl       6.62002995       9.94424001       7.35842001       0.24126959       0.96602724       1.54917791
Cl      10.90340002       9.20166994       5.07093000       0.75757972      -1.12342808       0.72378005
Cl       9.58472001       1.55827005       3.27286003       0.16459112      -0.05107303       0.15326388
Cl       8.01896004       7.12580001       6.38201998       1.99630259       1.17312756       1.54503259
Cl       5.67764995       7.69813995       3.28632002       1.17249259      -0.30401691       0.18460616
Cl       3.49692001       3.15955001       3.12969999      -0.63691724      -1.40360894       1.27362001
Cl       7.39962996       9.78890994       4.15091999       0.54194172       1.26633436      -0.62571309
Cl       2.80072000       3.37445001       7.68925995       1.36659677       0.35275571      -3.55252881
Cl       0.23175799       4.55075996       5.07239996      -1.38139500      -1.30310815       0.05041242
Cl       2.84527998       6.26947994       3.34611995       1.00530939      -1.02168195      -1.09124771
Cl       4.55389999       8.67213003       0.16591900       0.75540894      -0.13317238       0.80483771
Cl       1.35127996       7.32432998       1.15533004      -0.33856598      -1.97637374       0.22446223
Cl      11.17180000       3.97193997       1.22211002       0.51283678       0.77134599      -0.83999423
Cl       9.04327996       5.80214002       3.26242996      -0.31245182       1.43169276       1.67018136
Cl       1.11329000       8.81929997       9.95494996       0.09192603      -1.22027570      -1.22422181
Cl       1.85622005       3.89659999      10.01340003      -0.05153174       0.67926111       2.45808296
72
Lattice="11.16415758 0.0 0.0 0.0 11.16415758 0.0 0.0 0.0 11.16415758" Properties=species:S:1:pos:R:3:forces:R:3 energy=-256.54492321 stress="-0.018466607748418348 -0.006799872946941457 -0.002118152921433517 -0.006799872946941457 -0.034394381777013136 -0.0005005630400470764 -0.002118152921433517 -0.0005005630400470764 -0.025227344292302882" free_energy=-256.54492321 pbc="T T T"
Li       0.99960998       7.95221002       9.23646002      -1.24681645       0.54436671      -0.12187666
Li       9.12861001       1.45679005      10.73529998      -0.86459664       0.46823801       1.43531278
Li       9.64139004       6.01535997       6.84122998      -0.25429725      -0.90333752      -0.79193749
Li       6.89631002       8.64572994       5.15003002      -0.18197320      -0.28803947      -0.32788238
Li       6.51638995       2.72078000       1.80124003      -0.07773648       0.33294413      -0.46014068
Li       8.86353998       6.81248004      11.05360004      -0.12327415       0.38746369       0.27877030
Li       8.75670000       0.47672002       4.17249002      -0.59110937       1.14650803      -0.24576243
Li       7.52163001       4.12144995       9.26838002       0.34153731       0.25507102       0.27609321
Li       4.63260001       6.96522000       8.34268000       0.27782645      -1.10355645       1.01407276
Li      10.02910002       2.63922996       7.19451003       0.05729480       0.28171584      -0.85591576
Li       7.77989995       8.60298004       8.62131002       1.05282148       0.18695011       0.98722250
Li       1.37574998       5.07873995       7.62689004      -0.25062749      -0.50665326      -0.10753380
Li       0.66554701       0.02083466       3.79053003       0.12031681      -0.14752230       0.12295689
Li       4.80562000       0.32790404       4.32494005      -0.29576672      -0.43576042      -0.33292624
Li       3.33468999       9.66807997       6.29928995      -0.34796741       1.63373894      -1.92043293
Li      10.93450003       4.64547005       0.53397998      -0.00503075      -0.99127412      -0.16953035
Li       6.22494995       3.20265005       6.04306003      -0.17262431      -0.10651240       0.36095290
Li       4.16686998       4.04563002       9.74133995      -0.57049685       0.19274856      -1.92104713
Li       4.37638003       1.27792003       8.98312999      -0.05870150      -0.24787927      -0.30394543
Li      10.70080005       9.81759003       6.63871997       0.63609418      -0.47224184       0.81166465
Li      10.65050005       3.59141996       4.29713003      -0.13610134       1.19852562      -0.66218888
Li       2.37325005       2.31984998       5.07188003      -0.93909170      -1.23575285       0.80179558
Li       2.67173999       4.59479002       2.32942995       0.55659548       0.02092094      -0.02438154
Li       7.26948003       5.28243995       3.98687998      -0.81773771      -0.88049205      -1.38681562
Li       6.45219001       9.65808995       0.84927901      -0.25863626       0.21515750      -0.24187690
Li       0.48889599       7.71923001       4.41574998      -0.78281081       0.10789691       0.19623891
Li       7.59118003       0.44197303       7.67345005      -0.44327450       0.64612337       0.31536702
Li       3.76623001       8.16117000       2.71263006      -0.35710012      -0.65502516      -0.58979677
Li       1.46023999       1.07108001       8.49726004      -0.34962335       0.61383037       0.94351726
Li       0.41108103       0.50779400       0.34047197       0.41135536      -0.22113524       0.15436427
Li       5.72169998       6.60255000       0.37959397       0.03448202       0.00804222       0.52350933
Li       4.08069999       0.86057602       1.07911999      -0.28685861       0.17700651      -0.30764183
Li       3.64475002       9.44573003       9.45773999      -0.78110889       0.62150963       1.14956980
Li       1.35390005       7.94632003       1.11944995       0.88545136       0.80646409       0.66037181
Li       3.73097003       5.33348002       5.66112996      -0.41829636       0.76852579      -0.06394917
Li       8.92098995       9.07506002       2.14431002       0.86163644       0.28591542      -0.13717982
Cl       5.10368995       5.59630996       2.44539998       0.13631740       0.50818033       0.52789968
Cl       8.34206999       4.01324001       0.53540397       0.14901243      -0.01017373      -0.11710135
Cl      10.83189997       1.72646005       4.99338997       1.12810831      -1.41039722       0.60967343
Cl       8.59430002       3.49775000       5.05130995      -1.81876767       0.46884307       0.06087728
Cl       3.71472004       3.65511996       4.38620002       0.91453198       0.16712918      -0.65641117
Cl       1.87125995       8.37711004       5.85785001      -1.77865178      -1.07124965       0.22935178
Cl       4.21091995       8.71719998       7.65890996       1.82895148       0.21040070       0.73142793
Cl      10.04440005       4.36191999       8.55211000       0.17124125       0.83745318      -0.00644096
Cl       9.34043003       1.42693999       8.82289999       0.16319098      -1.11070994      -2.06980472
Cl       0.01184238       6.74834999       0.20075600      -1.18054931      -0.63855371      -0.76293811
Cl       8.39413002       9.27138005      11.04186953       0.83179362       0.92840460      -0.65215796
Cl       0.52101002       5.15838997       5.40866001       0.03163576       0.09682122       0.59864106
Cl       5.97218002       2.60063000       8.64126997       1.66651138       0.14349170      -0.11537817
Cl       3.05549004       3.04891000       7.73759003      -1.46292534       0.08291330       0.17033070
Cl       0.57059596      10.05499998       9.70350998      -1.19697020      -0.44265461       0.00978560
Cl       3.55133003       8.24108996       0.28694598       0.40020356      -0.23929590       0.56804424
Cl       2.36223002       6.45000005       8.98166000       0.93184201      -1.22010946       0.11611835
Cl       8.04762996       6.71394005       5.05434995       0.95680957       1.26884845       1.52279155
Cl       9.79261994       9.93647000       4.70454999      -1.07332105      -0.65563921       0.48203050
Cl       9.94015004       7.77248003       7.82505998       0.68255270       1.10591372       0.60828613
Cl       4.59944001       3.51602996       0.43521704       0.58466411      -1.03785748       1.05639111
Cl       4.70330999       8.91705001       4.41667002       0.87507980       0.72562685       0.31631910
Cl       1.86335004       6.84992005       3.11764995       1.42878198      -1.98396276      -1.20081448
Cl       7.32680005       9.64585001       7.00320996      -0.08277824       0.02553930      -0.52268206
Cl       9.42260995       0.80158797       1.48001004       0.50276881      -0.23206212       1.36363386
Cl       7.52325004       7.40225000       1.98822996      -0.19879801      -0.22089450       0.15414732
Cl       1.54314000       2.64331001       0.90406902      -1.24375256       1.06055114       0.32254844
Cl       1.99323005       0.14534237       6.80894000      -0.05434742       0.07454546      -1.51755994
Cl       6.07893996       0.51744296       2.42018004       0.25782660      -0.06405825      -0.59180038
Cl       2.77579998       0.52110402      10.10239997      -0.56068674       0.92743904       1.27875430
Cl       0.41595999       9.28964004       2.69357998       0.01028052       0.52933849      -1.79775132
Cl       2.79347006       0.70051896       3.28299994       0.02566767      -0.15208120       0.02247379
Cl       5.10796002       5.22917999       7.31566994       1.08921789      -0.08487208      -0.70964976
Cl       6.43232004       0.89626404       5.63772999       0.20752498       1.03156421      -0.00678267
Cl       5.30858998      10.63979998      10.11160002       2.48913431      -0.05951428       0.55461713
Cl       7.11201003       6.93705998       9.58494004      -1.43585431      -2.26339894       0.36411161
72
Lattice="11.08723799 0.0 0.0 0.0 11.08723799 0.0 0.0 0.0 11.08723799" Properties=species:S:1:pos:R:3:forces:R:3 energy=-254.64373329 stress="-0.02780035042438687 -0.0034430768982545374 -3.6127290367711253e-06 -0.0034430768982545374 -0.03951044425950471 -0.004399402842665672 -3.6127290367711253e-06 -0.004399402842665672 -0.029554414753821878" free_energy=-254.64373329 pbc="T T T"
Li       8.80979003       6.19535999       2.64082997       0.00135866       0.20911385       0.15210112
Li       6.55129005       3.29922996       6.88607995      -0.83206699      -1.00999177      -0.55859833
Li       3.74469002       4.07137005       0.20076205      -0.65977146      -0.76316518      -0.54461102
Li       2.95457995       6.26897005       5.25922003      -0.23318961      -0.42940487       0.24320887
Li       0.98830398       3.47368000       9.84235005      -0.93294375      -1.20013265      -0.57273657
Li       0.25532202       4.66174995       4.20700001      -0.02943651       0.52685247       0.71988778
Li       8.00274000       0.86392002       0.36554601       2.32714920      -2.17465467       0.17059224
Li      10.34699999      10.40129996       0.41833003      -0.02431580      -0.41942103      -0.16751434
Li       2.89616995       0.77751795      10.58679998       0.16436156      -0.67338681      -0.71640695
Li       6.17930002       6.17311999       8.54157001      -1.23148026       1.45271072       1.49603038
Li       6.37922000       9.82601999       8.46028004       1.56879617      -1.37805061       0.48311410
Li       8.38308005       9.16120004       4.00545997      -0.94809029       0.83552532       0.01518899
Li       0.72906695       6.19594995       0.86891704       0.20885730       0.48418628      -1.35783220
Li       6.63669005       4.37818996       3.81812002      -0.04208402      -0.25155159      -0.21560282
Li       3.25116002       3.06457001       6.39130996      -0.08569125       0.01384552      -0.60512924
Li       9.33396005       1.19628005       4.14049998       0.24728241      -0.36313637      -0.04357607
Li       1.45969996      10.39659997       4.78040003      -0.50330253       0.21550945       0.06620472
Li       9.69513004       8.52976997       6.91241004      -1.66211981      -2.13047314       0.65910983
Li      10.84549995       2.42143005       1.51852996       0.10128123       0.01746952       1.18662414
Li       6.75195996       8.55277000       0.85259896      -0.10163105       0.16155043      -0.31669798
Li       6.38943999       7.15227999       5.95582997       0.52449196      -0.01100616      -0.14820850
Li       2.15406995       0.30629005       7.87230995       3.38711684      -2.69193606      -2.67923430
Li       5.58870004       0.34214695       5.63417002       0.02070774       0.11791607       0.15963864
Li       7.51726000       4.64992996      11.08012741       0.12203361      -1.81108721      -0.08314256
Li       1.89054005       6.30502996       8.48883999      -0.45399691       1.13844441      -1.48126826
Li       5.64119999       1.91135002       9.48924003      -0.58756678      -0.31326159      -0.51140226
Li       3.07794998       8.52562002      10.88730005       0.26854228      -0.15664450      -0.17032774
Li       9.52497997       0.73241695       8.52205004       0.02944061       0.32029145       0.08625543
Li       6.23432997       1.73850996       2.54518003       0.99974634       1.65417626       0.63503051
Li       9.35452998       7.26874999       9.71578002      -0.26480690      -0.33644315       0.48513848
Li       3.80444003       8.77312997       7.27079004       0.21248272       0.68663804       0.33679208
Li       4.61627997       8.94769997       3.57318996       0.18474170       0.35103451      -0.25299138
Li       9.51685003       4.77360998       7.25415996       0.18401699      -0.00934801      -1.11912293
Li       3.89441995       6.12998997       2.39188999       0.32535855      -0.05592680       0.32175244
Li       0.75040799       8.07369998       3.43135004       0.90278246       4.23300896       1.24059652
Li       2.31080004       1.87537005       3.63894005      -0.06082464       0.39625179      -0.67348634
Cl       5.37200995       4.68184003       1.28881004      -0.27625014       0.68359815       0.67045444
Cl       0.26733005       8.14248998      10.29369998      -0.70664662      -0.79289983       0.62832357
Cl       8.91352999       7.37100004       4.93458005       0.45923055      -1.50258978       0.67848318
Cl       5.65828997       2.47331999       4.96162005      -0.77735597       1.67044336       0.11207426
Cl       5.05339000       5.88718001       4.58593997       0.16121861      -0.23400010      -0.38953322
Cl       6.60653997       7.98992005       2.98252999      -0.66564863       0.29382684      -0.15369786
Cl      10.13709995       1.79183004      10.75374396      -0.82727500      -0.87604359      -0.09697959
Cl      10.77628598       9.88745005       6.16996002       1.37997202       2.28455239      -0.56468169
Cl       2.27947005       2.08258000       1.05047001       0.04384962       1.03992658      -0.02333607
Cl       7.21234998       5.15246002       7.24445995       0.66450074      -0.48483431      -1.99795610
Cl       5.31781996       0.14086203       1.99578998      -2.92000300      -3.07454143      -0.75964830
Cl       0.99040201       1.40331005       8.60932002      -3.29397509       3.61220003       1.47421455
Cl       6.60002999       2.06086996       0.27666196      -2.72997748       2.28226400      -1.24629993
Cl       2.29715996       4.42846005       3.78419994       1.13396475      -0.70686960      -0.10793602
Cl       2.12800995       5.17728002      10.08710005       0.49190671       0.09471073       2.66329198
Cl       2.35287998       9.77318996       9.20958996       0.11450426      -0.28214367       0.25655325
Cl       7.86320999       6.53408997       0.58499904       0.96745517       1.41847887      -0.16433887
Cl       7.32404005       1.84020998       8.18093996       1.84524273      -0.62472982      -0.32687185
Cl       8.37837994       3.41666998       2.02467002      -0.42983170       1.16596008      -0.79066166
Cl       9.67168996       9.76049995       2.45026995       0.20224238      -0.86505850      -1.01334743
Cl       2.59179001       8.19223997       2.03070004       0.98194552      -0.19784296      -1.50562682
Cl       7.87377003       7.84350996       8.14485998       0.91402478       0.26990840      -0.07224960
Cl       2.84437004       0.86404597       5.49434997       0.50257122      -0.00919702       0.74013719
Cl       3.81297998       6.60818998       7.33949998       0.02286388      -0.57361042       0.13684498
Cl       9.81152996       3.31398996       4.26056002       0.36253930      -0.00054692       2.32462648
Cl       7.31637998       0.36433496       4.02490998       1.67600639      -0.57527521       0.40619951
Cl       6.33715002       9.41324999       6.11149003      -0.79364754      -0.54654547      -0.40078022
Cl       2.55809001       8.44797997       4.86848004       0.25427481       0.37474798       1.13065014
Cl       0.19016199       6.47426002       2.85717003      -2.55103113      -4.16237634      -1.12861487
Cl       0.42157504       0.65669799       3.23538000       0.61271401       0.79516472       0.00835571
Cl       0.68927296       5.12470001       6.95489999       0.13115782       0.06794105      -0.59761309
Cl       3.89760997       3.10551995       8.41900004       0.63412886       0.21659706       0.75746023
Cl       9.40598995       4.83718997       9.28315001       0.57488752      -0.15477502       1.94724706
Cl       7.95371001       9.81001002      10.44369999       0.66995925       1.19971885       0.18714128
Cl       4.85417994      11.03189194       8.23715004      -1.64339788       1.66659200      -0.18366421
Cl       5.17408002       8.00525004       9.69052995      -0.31335048      -0.10825398       1.16240311
